Metabolomics Standards Initiative Ontology (MSIO)
Silvia Marin
Marta Cascante
Pedro Ramon de Atauri Carulla
an application ontology for supporting description and annotation of mass-spectrometry and nmr-spectroscopy based metabolomics experiments and fluxomics studies.
Andrew Lane
Hunter Moseley
Alejandra Gonzalez-Beltran
Relates an entity in the ontology to the name of the variable that is used to represent it in the code that generates the BFO OWL file from the lispy specification.
Really of interest to developers only
BFO OWL specification label
Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2
BFO CLIF specification label
editor preferred label
editor preferred term
editor preferred term~editor preferred label
The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English)
PERSON:Daniel Schober
example
A phrase describing how a term should be used and/or a citation to a work which uses it. May also include other kinds of examples that facilitate immediate understanding, such as widely know prototypes or instances of a class, or cases where a relation is said to hold.
example of usage
has curation status
PERSON:Alan Ruttenberg
PERSON:Bill Bug
PERSON:Melanie Courtot
definition
The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.
editor note
An administrative note intended for its editor. It may not be included in the publication version of the ontology, so it should contain nothing necessary for end users to understand the ontology.
term editor
Name of editor entering the term in the file. The term editor is a point of contact for information regarding the term. The term editor may be, but is not always, the author of the definition, which may have been worked upon by several people
20110707, MC: label update to term editor and definition modified accordingly. See https://github.com/information-artifact-ontology/IAO/issues/115.
alternative term
An alternative name for a class or property which means the same thing as the preferred name (semantically equivalent)
definition source
formal citation, e.g. identifier in external database to indicate / attribute source(s) for the definition. Free text indicate / attribute source(s) for the definition. EXAMPLE: Author Name, URI, MeSH Term C04, PUBMED ID, Wiki uri on 31.01.2007
Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w
curator note
An administrative note of use for a curator but of no use for a user
imported from
For external terms/classes, the ontology from which the term was imported
elucidation
person:Alan Ruttenberg
Person:Barry Smith
Primitive terms in a highest-level ontology such as BFO are terms which are so basic to our understanding of reality that there is no way of defining them in a non-circular fashion. For these, therefore, we can provide only elucidations, supplemented by examples and by axioms
has associated axiom(nl)
Person:Alan Ruttenberg
An axiom associated with a term expressed using natural language
has associated axiom(fol)
An axiom expressed in first order logic using CLIF syntax
has axiom label
ISA alternative term
An alternative term used by the ISA tools project (http://isa-tools.org).
Requested by Alejandra Gonzalez-Beltran https://sourceforge.net/tracker/?func=detail&aid=3603413&group_id=177891&atid=886178
ISA tools project (http://isa-tools.org)
PERSON:Randi Vita, Jason Greenbaum, Bjoern Peters
temporal interpretation
Examples of a Contributor include a person, an organisation, or a service. Typically, the name of a Contributor should be used to indicate the entity.
An entity responsible for making contributions to the content of the resource.
Contributor
Examples of a Creator include a person, an organisation, or a service. Typically, the name of a Creator should be used to indicate the entity.
An entity primarily responsible for making the content of the resource.
Creator
Typically, Date will be associated with the creation or availability of the resource. Recommended best practice for encoding the date value is defined in a profile of ISO 8601 [W3CDTF] and follows the YYYY-MM-DD format.
A date associated with an event in the life cycle of the resource.
Date
Description may include but is not limited to: an abstract, table of contents, reference to a graphical representation of content or a free-text account of the content.
An account of the content of the resource.
Description
Typically, Format may include the media-type or dimensions of the resource. Format may be used to determine the software, hardware or other equipment needed to display or operate the resource. Examples of dimensions include size and duration. Recommended best practice is to select a value from a controlled vocabulary (for example, the list of Internet Media Types [MIME] defining computer media formats).
The physical or digital manifestation of the resource.
Format
The present resource may be derived from the Source resource in whole or in part. Recommended best practice is to reference the resource by means of a string or number conforming to a formal identification system.
A reference to a resource from which the present resource is derived.
Source
Typically, a Subject will be expressed as keywords, key phrases or classification codes that describe a topic of the resource. Recommended best practice is to select a value from a controlled vocabulary or formal classification scheme.
The topic of the content of the resource.
Subject and Keywords
Typically, a Title will be a name by which the resource is formally known.
A name given to the resource.
Title
is part of
my brain is part of my body (continuant parthood, two material entities)
my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)
this day is part of this year (occurrent parthood)
a core relation that holds between a part and its whole
Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'.
part_of
part of
has part
my body has part my brain (continuant parthood, two material entities)
my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)
this year has part this day (occurrent parthood)
a core relation that holds between a whole and its part
Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part.
Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'.
has_part
realized in
this disease is realized in this disease course
this fragility is realized in this shattering
this investigator role is realized in this investigation
is realized by
realized_in
[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
realizes
this disease course realizes this disease
this investigation realizes this investigator role
this shattering realizes this fragility
to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])
Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process
preceded by
An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other.
is preceded by
preceded_by
precedes
An object property linking a consent code to a specific restriction which further constrains it, such as research should be restricted to a specific disease or geographical location.
has measurement unit label
This document is about information artifacts and their representations
is_about is a (currently) primitive relation that relates an information artifact to an entity.
7/6/2009 Alan Ruttenberg. Following discussion with Jonathan Rees, and introduction of "mentions" relation. Weaken the is_about relationship to be primitive. We will try to build it back up by elaborating the various subproperties that are more precisely defined. Some currently missing phenomena that should be considered "about" are predications - "The only person who knows the answer is sitting beside me" , Allegory, Satire, and other literary forms that can be topical without explicitly mentioning the topic.
Smith, Ceusters, Ruttenberg, 2000 years of philosophy
is about
A person's name denotes the person. A variable name in a computer program denotes some piece of memory. Lexically equivalent strings can denote different things, for instance "Alan" can denote different people. In each case of use, there is a case of the denotation relation obtaining, between "Alan" and the person that is being named.
denotes is a primitive, instance-level, relation obtaining between an information content entity and some portion of reality. Denotation is what happens when someone creates an information content entity E in order to specifically refer to something. The only relation between E and the thing is that E can be used to 'pick out' the thing. This relation connects those two together. Freedictionary.com sense 3: To signify directly; refer to specifically
2009-11-10 Alan Ruttenberg. Old definition said the following to emphasize the generic nature of this relation. We no longer have 'specifically denotes', which would have been primitive, so make this relation primitive. g denotes r =def r is a portion of reality there is some c that is a concretization of g every c that is a concretization of g specifically denotes r
Conversations with Barry Smith, Werner Ceusters, Bjoern Peters, Michel Dumontier, Melanie Courtot, James Malone, Bill Hogan
denotes
m is a quality measurement of q at t when q is a quality there is a measurement process p that has specified output m, a measurement datum, that is about q
8/6/2009 Alan Ruttenberg: The strategy is to be rather specific with this relationship. There are other kinds of measurements that are not of qualities, such as those that measure time. We will add these as separate properties for the moment and see about generalizing later
From the second IAO workshop [Alan Ruttenberg 8/6/2009: not completely current, though bringing in comparison is probably important] This one is the one we are struggling with at the moment. The issue is what a measurement measures. On the one hand saying that it measures the quality would include it "measuring" the bearer = referring to the bearer in the measurement. However this makes comparisons of two different things not possible. On the other hand not having it inhere in the bearer, on the face of it, breaks the audit trail. Werner suggests a solution based on "Magnitudes" a proposal for which we are awaiting details. -- From the second IAO workshop, various comments, [commented on by Alan Ruttenberg 8/6/2009] unit of measure is a quality, e.g. the length of a ruler. [We decided to hedge on what units of measure are, instead talking about measurement unit labels, which are the information content entities that are about whatever measurement units are. For IAO we need that information entity in any case. See the term measurement unit label] [Some struggling with the various subflavors of is_about. We subsequently removed the relation represents, and describes until and only when we have a better theory] a represents b means either a denotes b or a describes describe: a describes b means a is about b and a allows an inference of at least one quality of b We have had a long discussion about denotes versus describes.
From the second IAO workshop: An attempt at tieing the quality to the measurement datum more carefully. a is a magnitude means a is a determinate quality particular inhering in some bearer b existing at a time t that can be represented/denoted by an information content entity e that has parts denoting a unit of measure, a number, and b. The unit of measure is an instance of the determinable quality.
From the second meeting on IAO: An attempt at defining assay using Barry's "reliability" wording assay: process and has_input some material entity and has_output some information content entity and which is such that instances of this process type reliably generate outputs that describes the input.
This one is the one we are struggling with at the moment. The issue is what a measurement measures. On the one hand saying that it measures the quality would include it "measuring" the bearer = referring to the bearer in the measurement. However this makes comparisons of two different things not possible. On the other hand not having it inhere in the bearer, on the face of it, breaks the audit trail. Werner suggests a solution based on "Magnitudes" a proposal for which we are awaiting details.
Alan Ruttenberg
is quality measurement of
relating a cartesian spatial coordinate datum to a unit label that together with the values represent a point
has coordinate unit label
relates a process to a time-measurement-datum that represents the duration of the process
is duration of
inverse of the relation of is quality measurement of
2009/10/19 Alan Ruttenberg. Named 'junk' relation useful in restrictions, but not a real instance relationship
is quality measured as
relates a time stamped measurement datum to the time measurement datum that denotes the time when the measurement was taken
has time stamp
relates a time stamped measurement datum to the measurement datum that was measured
has measurement datum
a chemical entity is said to be an isotopomer of another one if it has the same number of each isotopic atom but differs in their positions. isotopomer is a contraction of isotopic isomer
CH2DCH=0 is isotopomer of CH3CD=0
IUPAC compendium of chemical terminology (2nd edition, 1997)
is isotopomer of
CH4 is isotopologue of CH3D which is isotopologue of CH2D2
a molecular entity which differs only in isotopic composition (i.e the number of isotopic substitution differs but the overall chemical structure is unchanged) is said to be an isotologue
Philippe Rocca-Serra
A relation associating a product to its manufacturer.
manufactured by
The relation between the conclusion "Gene tpbA is involved in EPS production" and the data items produced using two sets of organisms, one being a tpbA knockout, the other being tpbA wildtype tested in polysacharide production assays and analyzed using an ANOVA.
The relation between a data item and a conclusion where the conclusion is the output of a data interpreting process and the data item is used as an input to that process
has_specified_input
see is_input_of example_of_usage
A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of.
8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works.
PERSON: Alan Ruttenberg
some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay
is_specified_input_of
has_specified_output
A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of.
is_specified_output_of
position on a gel is_proxy_for mass and charge of molecule in an western blot. Florescent intensity is_proxy_for amount of protein labeled with GFP. Examples: A260/A280 (of a DNA sample) is_proxy_for DNA-purity. NMR Sample scan is a proxy for sample quality. Within the assay mentioned here: https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay level of radioactivity is_proxy_for level of toxicity
A relation between continuant instances c1 and c2 where within an experiment/ protocol application, measurement of c1 is used to determine what a measurement of c2 would be.
A relation between continuant instances c1 and c2 where within a protocol application, measurement of c1 is related to a what would be the measurement of c2. (another definition)
is_proxy_for
A cell sorting process achieves the objective specification 'material separation objective'
This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process.
modified according to email thread from 1/23/09 in accordince with DT and PPPB branch
the relation of the cells in the finger of the skin to the finger, in which an indeterminate number of grains are parts of the whole by virtue of being grains in a collective that is part of the whole, and in which removing one granular part does not nec- essarily damage or diminish the whole. Ontological Whether there is a fixed, or nearly fixed number of parts - e.g. fingers of the hand, chambers of the heart, or wheels of a car - such that there can be a notion of a single one being missing, or whether, by contrast, the number of parts is indeterminate - e.g., cells in the skin of the hand, red cells in blood, or rubber molecules in the tread of the tire of the wheel of the car.
Discussion in Karslruhe with, among others, Alan Rector, Stefan Schulz, Marijke Keet, Melanie Courtot, and Alan Ruttenberg. Definition take from the definition of granular parthood in the cited paper. Needs work to put into standard form
PAPER: Granularity, scale and collectivity: When size does and does not matter, Alan Rector, Jeremy Rogers, Thomas Bittner, Journal of Biomedical Informatics 39 (2006) 333-349
This relation obtains between a a objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process.
Relating a legal person or organization to an organization in the case where the legal person or organization has a role as member of the organization.
2009/10/01 Alan Ruttenberg. Barry prefers generic is-member-of. Question of what the range should be. For now organization. Is organization a population? Would the same relation be used to record members of a population
JZ: Discussed on May 7, 2012 OBI dev call. Bjoern points out that we need to allow for organizations to be members of organizations. And agreed by the other OBI developers. So, human and organization were specified in 'Domains'. The textual definition was updated based on it.
2009/09/28 Alan Ruttenberg. Fucoidan-use-case
has organization member
Relating an organization to a legal person or organization.
See tracker: https://sourceforge.net/tracker/index.php?func=detail&aid=3512902&group_id=177891&atid=886178
A relation between a value specification and an entity which the specification is about.
A relation between an information content entity and a value specification that specifies its value.
inheres in
this fragility inheres in this vase
this red color inheres in this apple
a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence
A dependent inheres in its bearer at all times for which the dependent exists.
inheres_in
bearer of
this apple is bearer of this red color
this vase is bearer of this fragility
a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence
A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist.
bearer_of
is bearer of
participates in
this blood clot participates in this blood coagulation
this input material (or this output material) participates in this process
this investigator participates in this investigation
a relation between a continuant and a process, in which the continuant is somehow involved in the process
participates_in
has participant
this blood coagulation has participant this blood clot
this investigation has participant this investigator
this process has participant this input material (or this output material)
a relation between a process and a continuant, in which the continuant is somehow involved in the process
Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time.
has_participant
A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant).
An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process).
A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants.
is concretized as
A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant).
A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant.
concretizes
this catalysis function is a function of this enzyme
a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence
A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists.
function_of
is function of
function of
this red color is a quality of this apple
a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence
A quality inheres in its bearer at all times for which the quality exists.
is quality of
quality_of
quality of
this investigator role is a role of this person
a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence
A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists.
is role of
role_of
role of
this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)
a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence
A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists.
has_function
has function
this apple has quality this red color
a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence
A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist.
has_quality
has quality
this person has role this investigator role (more colloquially: this person has this role of investigator)
a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence
A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists.
has_role
has role
this cell derives from this parent cell (cell division)
this nucleus derives from this parent nucleus (nuclear division)
a relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity
This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops from'.
derives_from
derives from
this parent cell derives into this cell (cell division)
this parent nucleus derives into this nucleus (nuclear division)
a relation between two distinct material entities, the old entity and the new entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity
This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops into'. To avoid making statements about a future that may not come to pass, it is often better to use the backward-looking 'derives from' rather than the forward-looking 'derives into'.
derives_into
derives into
A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.
temporal relation
has measurement value
has x coordinate value
has y coordinate value
A relation between a value specification and a number that quantifies it.
A range of 'real' might be better than 'float'. For now we follow 'has measurement value' until we can consider technical issues with SPARQL queries and reasoning.
has specified value
A relation between a value specification and a literal.
This is not an RDF/OWL object property. It is intended to link a value found in e.g. a database column of 'M' (the literal) to an instance of a value specification class, which can then be linked to indicate that this is about the biological gender of a human subject.
For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits).
integer32
A reference number relevant to the sample under study.
The allowed value-type for this CV term.
For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits).
long64
The chemical phase of a pure sample, or the state of a mixed sample.
Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used.
One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible to determine if the frequency is positive or negative. The instrument uses a spectrometer frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency signals are very easy frequency to detect, transmit, amplify and sample. The complication with this rotating frame of reference is that a single detector can not distinguish positive and negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these two channels, it is possible to distinguish positive and negative frequencies. This section shows how the quadrature signal is processed to obtain an NMR spectrum. The Fourier transform produces a complex number with a real and an imaginary component. The Re function extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number.
quadrature detection
contact role
data file attribute
NMR instrument type
1D spectrum coordinate system descriptor
pre-acquisition solvent suppression
peak processing
Hexafluorobenzene
Chloroform-d
heavy water
sample pH
post buffer pH
Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. Apodization is usually performed by applying a window function to the FID
PRS: rename 'reference' to 'identifier'
metabolomics database identifier
Metabolights identifier
acetonitrile
1,4-Dioxane
1H spectrum reference compound
2,2-Dimethyl-2-silapentane-5-sulfonate
sodium acetate
tetramethylsilane
13C spectrum reference compound
Instrument model name not including the vendor's name.
Free text description of a single customization made to the instrument; for several modifications, use several entries.
Chloroform-d1
tetramethylammonium bromide
15N spectrum reference compound
ammonia (liquid)
ammonium bromide
1,4-morpholine
nitromethane
pyridine
sodium nitrate
post-acquisition solvent suppression
Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds.
decoupling method
homonuclear decoupling
heteronuclear decoupling
State if the sample is in emulsion form.
State if the sample is in solution form.
State if the sample is in suspension form.
broad band decoupling
off resonance decoupling
specific decoupling
angle of sinusoid
31P spectrum reference compound
phosphoric acid
phosphorus
trimethyl phosphate
triphenylphosphine
triphenylphosphine oxide
co-dissolved internal reference
synthetic reference signal
residual solvent signal
FID zero filling
data extrapolation using linear prediction
multiplying FID by window function
FID fourier transformation
The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems.
phase correction
peak integration
peak alignment
peak shape fitting
spectral referencing
Pohl, L.; Eckle, M. (1969). "Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811
sodium trimethylsilyl-propionate
linear scaling
scaling
non-linear scaling
total spectral area scaling
Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90.
probabilistic quotient normalization
scaling by generalized logarithmic transformation
pareto scaling
autoscaling
2D J-resolved spectrum
MetaboLab software
Metaboquant software
rNMR software
open source NMR software
commercial NMR software
Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208.
NMRLab software
Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293.
NMRPipe software
van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26.
matNMR software
concentration of chemical compound
manual phase correction
automatic phase correction
DC offset correction
Gibbs multiplication
skyline projection
shifted sine window function
sinc window multiplication of FID (1D)
combined sine-bell–exponential window function
SEM window function
Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization.
trapezoid window function
shifted gaussian window function
baseline correction using spline function
heteronuclear single quantum coherence spectrum
Zangger-Sterk pulse sequence
pure shift 1D Zangger-Sterk pulse sequence
oneshot pulse sequence
pure shift oneshot pulse sequence
perfect echo watergate pulse sequence
NMR Star 3.1 file format
NMR Star 2.1 file format
3D spectrum
4D spectrum
NMR spectrum by dimensionality
homonuclear chemical shift spectrum
heteronuclear chemical shift spectrum
homonuclear exchange spectroscopy spectrum
heteronuclear exchange spectroscopy spectrum
homonuclear J-resolved spectrum
heteronuclear J-resolved spectrum
calibration test spectrum
NMR star software
Felix software
PIPP software
TALOS+ software
CYANA software
XPLOR-NIH software
computed concentration
XEASY software
sparky software
CARA software
Wattos software
MADNMR software
Pronto software
TRIAD NMR software
library based computed concentration
Lorenzian (-Integration) (Modeled Area) Estimated Concentration
Lorenzian estimated concentration
Measured Area (Integration) based Concentration
measured area based concentration
time-domain amplitude computed concentration
group time delay compensation
This is independent of the bruker acquisition parameter named "GRPDLY" (Group Delay), but this is a "shift" applied on the fid to calibrate its zero
scaling by forward linear prediction
back calculation of first points by linear-prediction
scaling by mirror image linear prediction
digital filtering
3D strip plot generation
A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus.
Batman software
JEOL instrument model
tecmag instrument model
Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43
Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125
automatic baseline recognition
Trimethylsilyl propionate
TMIC lab pulse sequence
probe gradient strength
NMR acquisition computer operating system
NMR autosampler software
Bruker Biospin ICON-NMR software
buffer pH
field frequency lock
concentration standard
NMR acquisition software
CIMR MI standard
signal line width
signal line width at five percent intensity
NMR spectrum descriptor
pulse width
hard pulse width
sweep width
number of data points
tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum.
x end value
y-axis type
center of bin on x-axis
spectral quantitation algorithm
The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization.
NMRProcFlow software
Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture.
Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219.
Bayesil software
nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format.
Uses JspectraView Software
nmrML Assign
doublet feature
triplet feature
quatruplet feature
a set of peaks that are highly correlated in a series of samples
a feature request by Daniel Jacob inserted at IBP hackathon
cluster of peaks across samples
simulated spectrum
pulse parameter
JEOL FID format
doublet of doublets feature
ABX multiplet pattern
AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods.
singlet feature
quintet feature
doublet of triplets
triplet of douplets
triplet of triplets
NMR spectrum by pulse sequence
NMR spectrum by processing step
2D spectrum coordinate system descriptor
y-axis value type
the subclasses come from the Rubtsov specification
power value type
magnitude value type
real value type
imaginary value type
complex value types
spectral projection axis
f1 axis
f2 axis
NMR Format converter
BML-NMR identifier
will be further specified via a concentration value
creatinine
2D pulse sequence
used to be labeled 'NMR spectrum simulation'
data simulation
dynamic nuclear polarization enhanced NMR system
dynamic nuclear polarization NMR
Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis
chemical shift
an information object that describes the strength of the NMR signal
nmr signal intensity
baseline correction using polynomial function
first transient of the tnnoesy-presaturation pulse sequence
Varian acquisition parameter file
procpar
acqus
Bruker acquisition parameter file
global
Varian autosampler
Varian SMS 50
Varian probe
5mm HCN probe
Varian liquid cold probe
reference compound NMR spectrum
Mestrelab software
ACD spectrus software
Mat NMR 3 software
Spinworks NMR software
NMR software vendor
Spinworks
iNMR software
NMR pipe
cule NMR software
Git: nmrML\tools\Parser_and_Converters\Matlab
By Batman/ Tim Ebbels Group
Matlab to nmrML converter
Bruker processing parameter file
procs
Varian processing parameter file
PRS: rename 'identifyer' to 'identifier'
Madison Metabolomics Consortium Database MMCD identifier
Bigg metabolomics database identifier
Functional form: gm(x_i) = exp(e - g*g) Where: e = pi*i*g1 g = 0.6*pi*g2*(g3*(size-1)-i) Parameters: * data Array of spectral data. * g1 Inverse exponential width. * g2 Gaussian broaden width. * g3 Location of gauss maximum. * inv Set True for inverse apodization.
Lorentz Gaussian window function
traf window function
A Window function described by Daniel Traficante in their original paper.
trafs window function
peak fitting
peak assignment
deconvolution
A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks.
chemical shift sorting
fid file
Varian FID file
Bruker FID file
Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061
ERVA-based bucketing
cluster of peaks
Match NMR tube
shaped tube
Shigemi tube
standard tube
Bruker tube
JEOL magnet
JEOL ECS magnet
JEOL ECA magnet
JEOL ECX magnet
Varian NMR software
VnmrJ software
Wilmad tube
4mm Match tube
2.5mm Match tube
3mm Match tube
5mm Match tube
1mm Match tube
1.7mm Match tube
2mm Match tube
4.25mm Match tube
3mm standard tube
5mm standard tube
1mm standard tube
1.7mm standard tube
Wilmad economy tube
Wilmad precision tube
Norell tube
JEOL FID file
Git: nmrML\tools\Parser_and_Converters\R
R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de
nmRIO
Git: nmrML\tools\Parser_and_Converters\R\rNMR-IO
rNMR-IO
Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step.
Git: nmrML\tools\Parser_and_Converters\Java\converter
Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion.
Vendor2nmrML_Java
Varian magnet
premium compact narrow bore magnet
premium shielded narrow bore magnet
premium shielded wide bore magnet
Functional form: gmb(x_i) = exp(-a*i - b*i*i) Parameters: * data Array of spectral data. * a Exponential term. * b Gaussian term. * inv Set True for inverse apodization.
modified Gaussian window function
exponentially damped J-modulation apodization
Functional form: jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) Parameters: * data Array of spectral data. * e Exponential term. * off Start of modulation in fraction of pi radians. * end End of modulation in fraction of pi radians. * inv Set True for inverse apodization
exponentially damped J-modulation window function
Functional form: sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow Parameters: * data Array of spectral data. * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) * pow Power of Sine-Bell * inv Set True for inverse apodization.
shifted sine bell window function
Functional form: 0:loc linear increase/decrease from lHi to 1.0 loc: linear increase/decrease from 1.0 to rHi Parameters: * data Array of spectral data. * loc Location of apex, "auto" sets to middle. * lHi Left side starting height. * rHi Right side starting height. * inv Set True for inverse apodization.
triangle window function
The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry.
acquisition log file
Git: nmrML\tools\Parser_and_Converters\python
A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton.
PynmrML
A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources.
Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380
MetaboAnalyst software
acqu2s
acqu3s
proc2s
proc3s
NMR spectrum file
Bruker NMR spectrum file
1R file
title file
A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes.
Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486
NMR spectrum vizualisation software
Used in NMR Assign tool for Baysil
JspectraView software
cryoprobe
inverse detection NMR probe
5mm inverse detection cryoprobe
Git: nmrML\tools\Visualizers\PMB_NMRviewer
Developed by Daniel Jacob, INRA Bordeaux
NMRViewer software
AB multiplet pattern
NMR solvent
NMR buffer
presat water suppression
Varian VNMRS 600
data content encoding
data compression scheme
byte format
zlib
complex64
This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values.
complex128
This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values.
binary data compression type
AB2 multiplet pattern
data encoding parameter
uncompressed data
DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer
digital signal processing firmware version
DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid.
decimation factor
GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. "The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.")
group time delay
NMR sampling strategy
a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition.
uniform sampling
With uniform sampling, each sample is separated by the "dwell time".
With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform
non-uniform sampling
with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data.
Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly
Bruker XWIN-NMR software
software attribute
NMR software version
ABX3 multiplet pattern
AA'BB' multiplet pattern
AA'XX' multiplet pattern
variable size bucketing
uniform bucketing
intelligent bucketing
bucket importing
bucket resetting
global baseline correction
local baseline correction
bucket fusioning
JNM-ECX Series FT NMR instrument
JNM-ECZR Series FT NMR instrument
JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. 400 MHz - 1 GHz
JNM-ECZS Series FT NMR instrument
The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. Whatever your application field ECZS can demonstrate its power. 400 MHz
AVANCE III HD
NanoBay400 MHz
Fourier 300HD
DNP-NMR
LC-NMR instrument
LC-NMR/MS instrument
Food-Screener instrument
AVANCE IVDr
JEOL Resonance 400MHz YH magnet
JEOL Resonance 500MHz magnet
JEOL Resonance 600MHz magnet
JEOL Resonance 700MHz magnet
JEOL Resonance 800MHz magnet
single peak feature
NMR instrument vendor
Any organisation ort person that sells NMR instruments to customers.
Avance I spectrometer
Oxford Instruments
Spinlock SRL
General Electric
Kimble Chase
Phillips
Siemens AG
Varian Inova 500
Varian VNMRS instrument
Varian Mercury plus
Varian UnityInova instrument
Varian 400-MR NMR instrument
Varian DDR2 instrument
Agilent NMR instrument
Agilent 400-MR NMR instrument
Varian Mercury 400
Agilent Au 400 (DDR2 Console)
Agilent DDR 2 w/ HCN cryoprobe
BMRB identifier
left trapezoid limit
trapezoid window function parameter
complex64 Integer
This byte format uses a consecutive array of two 32bit integer numbers to represent the real and imaginary part of the complex values (2x32bits=>2x4bytes=> 2 integers) for the FID datatype.
complex128 Integer
This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype.
right trapezoid limit
thirty degree pulse duration
The duration of the excitation pulse needed to rotate the magnetisation vector by 30 degrees.
InChi
inchikey
Wiswesser Line Notation
ROSDAL
SLN-Tripos
smarts
line representation
2D topological molecule representation
2D bond line structure
3D geometrical molecule representation
3D bond line structure
CAS number
fingerprint model
molfile
compound similarity measure
Tanimoto similarity
Gaussian window function parameter
Gaussian maximum position
2H spectrum reference compound
ABX2 multiplet pattern
DRX 600 instrument
plot and graph generation
reference deconvolution
vertical alignment of on and offset of the peak of the reference compound.
spectral smoothing
the process of removing noisy jitters in a spectral curve to get clearer and more meaningful signals and peaks.
NMR database format
M. Yokochi, N. Kobayashi, E. L. Ulrich, A. R. Kinjo, T. Iwata, Y. E. Ioannidis, M. Livny, J. L. Markley, H. Nakamura, C. Kojima, T. Fujiwara, “Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins,” Journal of Biomedical Semantics, 5:7:16 (2016)
BMRB/XML file format
nD spectrum
Terms used to describe types of data processing.
tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. defprov: Daniel Schober
Description of the instrument or the mass spectrometer.
Instrument properties that are associated with a value.
Conversion of one file format to another.
Sample properties that are associated with a value.
Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data.
MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files.
SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity.
Describes the type of file and its content.
Details about a person or organization to contact in case of concern or discussion about the file.
Name of the contact person or organization.
Postal address of the contact person or organization.
Uniform Resource Locator related to the contact person or organization.
Email address of the contact person or organization.
Data processing parameter used in the data processing performed on the data file.
The time that a data processing action was finished.
Describes how the native spectrum identifiers are formated.
The nativeID must be the same as the source file ID.
A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added.
Description of the preparation steps which took place before the measurement was performed.
A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction.
A compound of low molecular weight that is composed of two or more amino acids.
A describable property of a chemical compound.
The pH of a solution at which a charged molecule does not migrate in an electric field.
The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm.
A combination of symbols used to express the chemical composition of a compound.
A chemical formula which expresses the proportions of the elements present in a substance.
A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked.
A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other.
The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string.
An identifier/accession number to an external reference database.
A unique identifier for a publication in the PubMed database (MIR:00000015).
A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight.
A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein.
A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN).
An nonphysical attribute describing a specific protein.
Accession number for a specific protein in a database.
A long name describing the function of the protein.
An nonphysical attribute that can be used to describe a peptide.
A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present.
A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu).
A state description of how a peptide might be isotopically or isobarically labelled.
A peptide that has been created or labeled with some heavier-than-usual isotopes.
A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as "light" to distinguish from "heavy".
An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label.
Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence.
A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard.
A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result.
A file that has two or more columns of tabular data where each column is separated by a TAB character.
Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation.
Name of the gene from which the protein is translated.
Type of the source file, the nmrIdentML was created from.
Source file for this nmrIdentML was a data set in a database.
retire? Consider: "NMR database format" ?
Phone number of the contact person or organization.
Fax number for the contact person or organization.
Toll-free phone number of the contact person or organization.
Free text attribute that can enrich the information about an entity.
Keyword present in a scientific publication.
Parameters used in the NMR spectrometry acquisition.
A unique identifier for a metabolite in the HMDB database (HMDB00001).
Chenomx software for data acquisition and analysis.
The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format.
Parameter file used to configure the acquisition of raw data on the instrument.
tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. synonym: NMR spectrum
as designated Experiment type on http://www.bmrb.wisc.edu/tools/choose_pulse_info.php
Conversion of a file format to Metabolomics Standards Initiative nmrData file format.
Conversion of a file format to JCAMP-DX file format.
Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM.
assigned chemical compound concentration
Hilbert transformation based scaling
def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. synonym: optional part of NMR instrument clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something...
def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. altdef: The autosampler is an automatic sample changer.
tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. defprov: Daniel Schober
def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values.
TODO: has spectral post processing parameter
def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. synonym: cardinal part of NMR instrument
def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers.
def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.
def: A component of an NMR instrument that controls the activities of the other components.
TODO: same as or part of acquisition computer?
tempdef: The number of data points in a data set.
def: A frequency used during Hadamard encoding.
def: The axis onto which the spectrum was projected.
The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees.
def: A digital sampling interval. alsprcls: time interval
def: The temperature of an item of analysis material whilst in an autosampler.
def: The temperature of an NMR sample whilst in the magnet of an NMR instrument.
def: The frequency of the RF radiation used to irradiate an NMR sample.
def: The intensity of an electric, magnetic, or other field.
def: The rate at which an item of analysis material is spun.
def: An indication of whether the nucleus being studied is the acquitsition nucleus.
def: A compound added to a sample to alter its pH value.
def: The compound that produced the peak used to reference a spectrum during data pre-processing.
def: A compound that is added to an NMR sample to enable the alignment of spectra. The power of NMR is that for most nuclei the NMR frequency changes very slightly with different molecular environment or chemical bonding. These shifts are very small, on the order of 1 part in 10+9. This is referred to as "Chemical Shift." Tables of chemical shifts are tabulated and used to determine molecular structure. Combining NMR chemical shift information with other NMR information such as peak integration, coupling constants and Nuclear Overhauser Enhancement (NOE) can result in complete three-dimensional molecular structures of molecules in solution without using X-ray crystallography.
def: The compound that produced a peak that is measured to assess the quality of a data set.
May later import from http://purl.obolibrary.org/obo/CHMO_0001841
See also http://www.jcamp-dx.org/protocols/NMR%20Pulse%20Sequences%20PAC%2079(11)%20pp1748-1764%202001.pdf
def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values.
frequency domain data processing
def: The post acquisition process of producing or refining a spectrum from raw data. defprov: Daniel Schober
time domain data processing
def: A data transformation that converts an NMR input data set into an output data set in a tracable and useful manner.
tempdef: A non FT based method for converting from the time to the frequency domain.
tempdef: A data processing which alteres a data file for a specific purpose. defprov: Daniel Schober
tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf synonym: GFT-projection
def: A method for quadrature detection. synonym: S-TPPI
states-time proportional phase incrementation
def: An Instrument which is used to carry out a NMR analysis of some sample. synonym: NMR instrument
def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. synonym: NMR instrument acquisition parameter set
NMR instrument acquisition parameter set
http://pubs.acs.org/doi/pdf/10.1021/ac0519312 10.1021/ac0519312 Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K.
normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples.
tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. defprov: Daniel Schober
A function applied to a FID to increase the signal-to-noise ratio or the resolution.
The exponential function used to multiply a FID by to produce a desitred amount of line broadening.
Functional form: em(x_i) = exp(-pi*i*lb) Parameters: * data Array of spectral data. * lp Exponential line broadening. * inv Set True for inverse apodization.
exponential multiplication window function
def: A method for eliminating or reducing the noise in a spectrum.
def: A method of flattening the baseline of a spectrum.
def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. altdef: The adding of spectra together to produce a composite avergaed spectrum.
def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width.
def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC.
def: A feature of a peak that is measured to assess the quality of a data set.
def: The number of repeat scans performed and summed to create the data set for an NMR sample.
def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei.
def: A scheme for producing a numerical representation of the environment of an atom.
def: The delay between repeat scans to allow nuclei to relax back to their steady state.
def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum).
def: The unit of measurement of the second dimension of a 2D NMR dataset.
def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. altdef: The initial time or frequency a FID or spectrum is recorded from.
http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. Hans J. Reich 2015, University of Wisconsin
line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. Line broadening may be caused by: Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities.
line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering.
def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. synonym: NMR spectral projection parameter set
def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. synonym: NMR spectrum post-processing parameter set
TODO: altsprcls: process, not clear wether set is plural (list) or process.
tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis synonym: NMR quality check parameter set
tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. defprov: Daniel Schober
def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. synonym: HSVD
def: A computational method that archieves water suppression via wavlet multi resolution analysis.
defneed synonym: NMR data pre-processing parameter set
def: The process of ensuring the quality of the raw data that results from an NMR analysis. synonym: NMR quality check
def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases.
def: A reference to a file containing the raw FID. synonym: FID file reference
def: A reference to a description of a pulse sequence in the literature.
def: A reference to a file containing a specfication of the shape of an excitation pulse.
def: A reference to a file containing a specification of a pulse sequence.
def: A reference to a file of data pre-processing parameters produced by the machine.
def: A reference to information on the provenance of the NMR sample. synonym: NMR sample reference
def: A result of an NMR quality check. synonym: NMR quality check result
def: A sample that has been prepared for chemical analysis by NMR. NMR samples are usually liquid solutions contained in glass tubes. NMR solution sample volume ranges from 50ul to 5ml depending on the NMR probe. Sample concentrations of solute for 1H NMR are usually in the range of 100ug to 5g, with 10 to 50mg being typical. NMR is not a chemical trace analysis technique. The NMR signal of solids and gases can be recorded but to measure solid-state NMR additional specialized hardware is required. synonym: NMR sample
tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the NMR instrument.
The sample-tube holds the NMR sample and sits in the NMR probe. It is usually a glass tube of 5-20mm diameter.
sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID
def: A software artifact used during data pre-processing.
def: A software artifact used during spectral post-processing.
def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. altdef: A type of automated integration which occurs across pre-defined regions for a spectrum.
for bucket parameters see 'binned spectrum descriptor'
Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing
tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. defprov: Daniel Schober synonym: WET
water suppression enhanced through T1 effects
WET
tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. defprov: Daniel Schober synonym: NOESY-presat
nuclear overhauser and exchange spectroscopy-presat
tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). defprov: Daniel Schober
tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequence to make fast exchanging protons visible.
tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest.
tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D).
defneed synonym: 1D NMR acquisition parameter set
defneed synonym: 2D NMR acquisition parameter set
tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. defprov: Daniel Schober synonym: 1D CPMG
carr purcell meiboom gill pulse sequence
CPMG
tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. defprov: Daniel Schober synonym:2D TOCSY pulse sequence
total correlation spectroscopy pulse sequence
def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). synonym: 1D
tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. defprov: Daniel Schober synonym: 2D J-resolved
hadamard total correlation spectroscopy pulse sequence
def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.
def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: Significant S/N gains (with moderately salty samples also) Short pulse widths Short ring down times Linear behavior in power response Gradient capability CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher All high resolution probes have a lock circuit All high resolution probes have Z-gradient defprov: Bruker website
def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. defprov: Bruker website altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. synonyms: High resolution MAS, hr-MAS
def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. defprov: Bruker website synonym: solid MAS probe
def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) excellent solvent suppression properties virtually no salt effect discrete samples in tubes that can be sealed and stored automation accessory for sample preparation and handling available defprov: Bruker website
def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. defprov: Bruker website synonym: flow HR-probe
For metabolism studies, and analysis of complex mixtures.
NMR Instruments using hyphenated analytical techniques combining mass spectrometry and chromatograph.
def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. defprov: Bruker website
def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. defprov: Bruker website
def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. defprov: Bruker website synonym: Bruker Efficient Sample Transfer NMR
def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back defprov: website
def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. defprov: Bruker website
def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. defprov: Bruker website
def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. defprov: Bruker website synonym: Bruker Multiple Adjustable Tube Clamp Holder
def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample.
def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. defprov: Bruker website synonym: HR Probe
def: The ATM option for AVANCE spectrometers is available for: Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. defprov: Bruker website synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM
The JNM-ECX series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials.
The JNM-ECA series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials.
def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network defprov: tecmag website
def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. defprov: website
A manufacturer that produces (and eventually sells) NMR instruments.
TODO: May not need definition due to its instance character.
def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment.
Any data file as generated by some acquisition computer or console.
This is a class annotation exemplifying skos usage. We assume the rdfs:label to capture the skos:preferedLabel.
In the NMR case a file generated by an NMR acquisition computer, console or NMR processing software.
Includes the connection to a high-resolution TOF-LC-MS system.
A Solid Phase Extraction (SPE) system provides an interface between liquid chromatography (LC) and NMR. For the process of LC-SPE™ NMR a chromatographic separation is done and the peaks of interest are trapped on an individual SPE cartridge after the column. The peak selection is done either by UV detection or by evaluation of the on-line registered MS or MSn spectra.
Capillary LC-NMR is a hyphenated technique coupling capillary liquid chromatography and NMR, which increases sensitivity dramatically through the use of miniaturization of the chromatographic techniques and NMR detection volume.
Continuous wave NMR spectrometers are similar in principle to optical spectrometers. The sample is held in a strong magnetic field, and the frequency of the source is slowly scanned (in some instruments, the source frequency is held constant, and the field is scanned). Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm
In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm
Julius Caesar
Verdi’s Requiem
the Second World War
your body mass index
BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81
Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf
An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])
entity
An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts.
BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240
Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants
A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])
if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])
if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])
if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])
(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002]
(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001]
(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002]
(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002]
continuant
An entity that has temporal parts and that happens, unfolds or develops through time.
BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region
BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players.
Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process.
Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame.
An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])
Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])
b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])
(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001]
(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001]
occurrent
a chair
a heart
a leg
a molecule
a spatial region
an atom
an orchestra.
an organism
the bottom right portion of a human torso
the interior of your mouth
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])
For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])
For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])
(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001]
(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002]
(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002]
independent continuant
BFO 2 Reference: Spatial regions do not participate in processes.
Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional.
A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])
All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])
(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001]
(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001]
spatial region
Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional
A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])
All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])
Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])
(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002]
(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001]
(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001]
temporal region
an infinitely thin plane in space.
the surface of a sphere-shaped part of space
A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])
(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001]
two-dimensional spatial region
the spatiotemporal region occupied by a human life
the spatiotemporal region occupied by a process of cellular meiosis.
the spatiotemporal region occupied by the development of a cancer tumor
A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])
All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])
Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])
Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])
Every spatiotemporal region occupies_spatiotemporal_region itself.
Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])
(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002]
(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001]
(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001]
(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001]
(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001]
spatiotemporal region
a process of cell-division, \ a beating of the heart
a process of meiosis
a process of sleeping
the course of a disease
the flight of a bird
the life of an organism
your process of aging.
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])
BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)
(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003]
process
an atom of element X has the disposition to decay to an atom of element Y
certain people have a predisposition to colon cancer
children are innately disposed to categorize objects in certain ways.
the cell wall is disposed to filter chemicals in endocytosis and exocytosis
BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type.
b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])
If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])
(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002]
(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002]
disposition
the disposition of this piece of metal to conduct electricity.
the disposition of your blood to coagulate
the function of your reproductive organs
the role of being a doctor
the role of this boundary to delineate where Utah and Colorado meet
A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances.
To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])
All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])
(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002]
(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002]
realizable entity
A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])
(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001]
zero-dimensional spatial region
the ambient temperature of this portion of air
the color of a tomato
the length of the circumference of your waist
the mass of this piece of gold.
the shape of your nose
the shape of your nostril
a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])
If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])
(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001]
(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001]
quality
Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key
of one-sided specifically dependent continuants: the mass of this tomato
of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates.
the disposition of this fish to decay
the function of this heart: to pump blood
the mutual dependence of proton donors and acceptors in chemical reactions [79
the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction
the pink color of a medium rare piece of grilled filet mignon at its center
the shape of this hole.
the smell of this portion of mozzarella
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])
b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])
Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc.
(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004]
(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003]
specifically dependent continuant
John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married.
the priest role
the role of a boundary to demarcate two neighboring administrative territories
the role of a building in serving as a military target
the role of a stone in marking a property boundary
the role of subject in a clinical trial
the student role
A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts.
BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives.
b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])
(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001]
role
or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29
the FMA:regional parts of an intact human body.
the Western hemisphere of the Earth
the division of the brain into regions
the division of the planet into hemispheres
the dorsal and ventral surfaces of the body
the upper and lower lobes of the left lung
BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions
b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])
(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004]
fiat object part
an edge of a cube-shaped portion of space.
A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])
(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001]
one-dimensional spatial region
a collection of cells in a blood biobank.
a swarm of bees is an aggregate of members who are linked together through natural bonds
a symphony orchestra
an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)
defined by fiat: the aggregate of members of an organization
defined through physical attachment: the aggregate of atoms in a lump of granite
defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container
defined via attributive delimitations such as: the patients in this hospital
the aggregate of bearings in a constant velocity axle joint
the aggregate of blood cells in your body
the nitrogen atoms in the atmosphere
the restaurants in Palo Alto
your collection of Meissen ceramic plates.
An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects
BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee).
ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158.
b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])
(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004]
object aggregate
a cube-shaped region of space
a sphere-shaped region of space,
A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])
(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001]
three-dimensional spatial region
Manhattan Canyon)
a hole in the interior of a portion of cheese
a rabbit hole
an air traffic control region defined in the airspace above an airport
the Grand Canyon
the Piazza San Marco
the cockpit of an aircraft
the hold of a ship
the interior of a kangaroo pouch
the interior of the trunk of your car
the interior of your bedroom
the interior of your office
the interior of your refrigerator
the lumen of your gut
your left nostril (a fiat part – the opening – of your left nasal cavity)
b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])
(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002]
site
atom
cell
cells and organisms
engineered artifacts
grain of sand
molecule
organelle
organism
planet
solid portions of matter
star
BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting.
BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below).
BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47
BFO 2 Reference: an object is a maximal causally unified material entity
BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74
b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])
object
The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity.
the pdf file on your laptop, the pdf file that is a copy thereof on my laptop
the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule.
A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time.
b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])
(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001]
generically dependent continuant
the function of a hammer to drive in nails
the function of a heart pacemaker to regulate the beating of a heart through electricity
the function of amylase in saliva to break down starch into sugar
BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc.
A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])
(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001]
function
the boundary between the 2nd and 3rd year of your life.
p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])
Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])
(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002]
(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001]
process boundary
the temporal region during which a process occurs.
BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks).
A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])
(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001]
one-dimensional temporal region
a flame
a forest fire
a human being
a hurricane
a photon
a puff of smoke
a sea wave
a tornado
an aggregate of human beings.
an energy wave
an epidemic
the undetached arm of a human being
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60
BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity.
BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here.
A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])
Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])
every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])
(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002]
(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002]
material entity
b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])
BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions.
BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29
Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions.
Every continuant fiat boundary is located at some spatial region at every time at which it exists
(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001]
continuant fiat boundary
BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10
immaterial entity
The Equator
all geopolitical boundaries
all lines of latitude and longitude
the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin.
the median sulcus of your tongue
a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])
(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001]
one-dimensional continuant fiat boundary
On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels
One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance.
The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on.
b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])
b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])
(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005]
(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002]
process profile
a marriage bond, an instance of love, an obligation between one person and another.
b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])
(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001]
relational quality
a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])
(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001]
two-dimensional continuant fiat boundary
the geographic North Pole
the point of origin of some spatial coordinate system.
the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet
zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona.
a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])
(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001]
zero-dimensional continuant fiat boundary
a temporal region that is occupied by a process boundary
right now
the moment at which a child is born
the moment at which a finger is detached in an industrial accident
the moment of death.
temporal instant.
A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])
(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001]
zero-dimensional temporal region
A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])
history
An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms.
An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins.
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid
cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines.
Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine.
High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms.
'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
We are assuming that every molecular entity has to be completely connected by chemical bonds. This excludes protein complexes, which are comprised of minimally two separate molecular entities. We will follow up with Chebi to ensure this is their understanding as well
A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.
A role played by the molecular entity or part thereof within a biological context.
Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives.
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
A phosphorus oxoacid that consits of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.
The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first).
The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second).
A chemical entity constituting the smallest component of an element having the chemical properties of the element.
A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid.
High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins.
The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen.
A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.
polymer
A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.
A phosphine oxide in which the substituents on phosphorus are three phenyl groups.
The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen.
The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen.
The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2.
The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2.
The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2.
The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2.
A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.
A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine.
A trialkyl phosphate that is the trimethyl ester of phosphoric acid.
A dioxane with oxygen atoms at positions 1 and 4.
A biological role played by the molecular entity or part thereof within a biochemical context.
The stable isotope of boron with relative atomic mass 11.009306, 80.1 atom percent natural abundance and nuclear spin 3/2.
The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2.
The bromide salt of tetramethylammonium.
A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.
Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them.
A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.
An N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a tert-butyldimethylsilyl group.
The study of the interaction of a sample with radiation or particles for measurement or detection.
Spectrometry where the sample is converted into gaseous ions which are characterised by their mass-to-charge ratio and relative abundance.
Any method where a sample mixture is first separated by gas chromatography then ionised and characterised according to mass-to-charge ratio and relative abundance.
gas chromatography with mass spectrometric detection
Mass spectrometry where the relative abundance of isotopes in a sample is determined.
Mass spectrometry where the relative abundance of non-radioactive isotopes in a sample is determined.
A method where a sample mixture is first separated by liquid chromatography before being converted into ions which are characterised by their mass-to-charge ratio and relative abundance.
Mass spectrometry where the intensities of one or more specific ion beams are recorded rather than the entire mass spectrum.
Mass spectrometry involving multiple mass-selection steps, with some form of fragmentation occurring between each stage.
Spectroscopy where the energy states of spin-active nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation.
nuclear magnetic resonance (NMR) spectroscopy
Spectroscopy where the energy states of spin-active nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them, and the spectrum is obtained by plotting chemical shift vs. frequency.
1D nuclear magnetic resonance spectrometry
1D nuclear magnetic resonance spectroscopy
one-dimensional nuclear magnetic resonance spectrometry
one-dimensional nuclear magnetic resonance spectroscopy
Spectroscopy where the energy states of 1H nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them.
1H nuclear magnetic resonance spectrometry
proton nuclear magnetic resonance spectroscopy
1H nuclear magnetic resonance spectroscopy
Spectroscopy where the energy states of 13C nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them.
13C nuclear magnetic resonance spectrometry
13C nuclear magnetic resonance spectroscopy
An NMR experiment in which a second frequency dimension is employed to disperse the signals and reveal correlations between interacting nuclei.
2D nuclear magnetic resonance spectrometry
two-dimensional nuclear magnetic resonance spectrometry
two-dimensional nuclear magnetic resonance spectroscopy
A type of homonuclear NMR spectroscopy where a second frequency dimension is employed to disperse the signals and reveal correlations between nuclei which are J-coupled (usually \leq 3 bonds apart).
A type of NMR spectroscopy where a second frequency dimension is employed to disperse the signals and reveal correlations between protons and heteronuclei.
2D heteronuclear correlation spectroscopy
two-dimensional heteronuclear correlation spectroscopy
A type of homonuclear NMR spectroscopy which reveal correlations between all nuclei of a spin-system.
A type of homonuclear proton--proton) NMR spectroscopy where chemical shift and J-coupling information are separated onto different frequency axes.
J-resolved spectroscopy NMR spectroscopy
A type of homonuclear NMR spectroscopy based on the nuclear Overhauser enhancement effect in which correlations are seen between nuclei that are spatially proximate within a molecule (\leq 6 \AA apart).
nuclear Overhauser enhancement spectrometry
nuclear Overhauser enhancement spectroscopy
Spectroscopy where the energy states of spin-active nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them.
pulsed nuclear magnetic resonance spectrometry
pulsed nuclear magnetic resonance spectroscopy
A pulse sequence which is applied during nuclear magnetic resonance spectroscopy to measure spin--spin (T2) relaxation times. For the pulse sequence see Rev. Sci. Inst., (1958), 29, pg 688.
Carr, Purcell,Meiboom,Gill pulse sequence
Carr-Purcell Meiboom-Gill pulse sequence
Carr-Purcell-Meiboom-Gill pulse sequence
A pulse sequence which is applied during nuclear magnetic resonance spectroscopy of quadrupolar nuclei, to measure spin--spin (T2) relaxation times. In the solid state, the sequence is used to achieve sensitivity enhancement for nuclei with low gyromagnetic ratios. For the pulse sequence see J. Phys. Chem. A, (1997), 101, pg 8597.
quadrupolar Carr, Purcell,Meiboom, Gill pulse sequence
quadrupolar Carr-Purcell Meiboom-Gill pulse sequence
quadrupolar Carr-Purcell-Meiboom-Gill pulse sequence
Any type of heteronuclear NMR spectroscopy where a second frequency dimension is employed.
heteronuclear two-dimensional nuclear magnetic resonance spectroscopy
A type of homonuclear NMR spectroscopy where a second frequency dimension is employed to disperse the signals and reveal correlations between protons which are J-coupled (usually \leq 3 bonds apart).
An NMR experiment in which multiple frequencies in an NMR spectrum are excited simultaneously over a broad frequency rnage using polychromatic pulses.
Hadamard nuclear magnetic resonance spectroscopy
Hadamard-encoded nuclear magnetic resonance spectroscopy
Any technique which detects the response of spins to a perturbing magnetic field.
A technique or procedure applied in nuclear magnetic resonance experiments.
A series of short (microsecond) bursts (pulses) of rf radiation separated by delays (of defined duration) designed to interact with, and manipulate the magnetic moments of spin-active nuclei during NMR spectroscopy.
nuclear magnetic resonance pulse sequence
An NMR pulse sequence that decouples nuclei i.e. removes the effects of (usually) J-coupling (line splitting) from the spectrum.
An NMR pulse sequence, used in magic angle spinning, that decouples nuclei i.e. removes the effects of (usually) J-coupling (line splitting) from the spectrum.
magic angle spinning decoupling pulse sequence
A sequence of composite pulses designed to allow isotropic mixing of magnetisation between nuclei. For the pulse sequence see J. Magn.Reson., (1988), 77, pg 274.
An NMR pulse sequence used to transfer magnetisation between protons and covalently bound (spin active) heteronuclei via isotropic mixing of their magnetisation. Used to e.g. enhance the NMR signal of heteronuclei or to correlate chemical shifts of protons with heteronuclei. For the pulse sequence see J. Magn. Reson., (1991), 91, pg 444.
heteronuclear Hartman-Hahn pulse sequence
heteronuclear Hartmann Hahn pulse sequence
An NMR pulse sequence that is used to suppress or remove the solvent signal.
A pulse cluster used for solvent suppression consisting of two rf pulses separated by a delay with conditions set such that the solvent signal alone is rendered unobservable by the second pulse. For the pulse sequence see J. Am. Chem. Soc., (1982), 104, pg 7310.
A pulse cluster used to suppress solvent (water) signals exploiting the differing relaxation properties of solvent and sample. Resonances are inverted and the subsequent recovery period is chosen such that the solvent signal is at a null point when the signal is detected. For the pulse sequence see J. Chem. Phys., (1972), 56, pg 3182.
A pulse cluster used for solvent (water) suppression. The solvent resonances are selectively excited and pulsed field gradients used to destroy the signal. For the pulse sequence see J. Biomol. NMR, (1992), 2, pg 661.
water suppression through gradient tailored excitation
A pulse cluster used in NMR experiments which manipulates signals such that, at the end of the sequence, the effects of chemical shift differences have been compensated/removed. Used most simply to compensate for inhomogeneities in the magnetic field but delays in the sequence also permit various possible manipulations of the magnetisation. For the pulse sequence see Phys. Rev., (1950), 80, pg 580.
A pulse sequence used in magic angle spinning NMR experiments to remove additional signals resulting from spinning the sample too slowly to obtain a response composed solely of isotropic chemical shifts.
total suppression of sidebands pulse sequence
A 2D NMR experiment which correlates the chemical shifts of spatially proximate protons with the chemical shifts of all (of one type of) their covalently bound heteronuclei.
two-dimensional heteronuclear single quantum coherence nuclear Overhauser effect spectroscopy
two-dimensional heteronuclear single quantum coherence-nuclear Overhauser effect spectroscopy
A type of homonuclear NMR spectroscopy where a second frequency dimension is employed to disperse the signals and reveal correlations between 13C nuclei that are J-coupled (usually \leq 3 bonds apart).
A type of NMR spectroscopy where a second frequency dimension is employed to disperse the signals and reveal correlations between protons and 13C nuclei.
1H--13C heteronuclear correlation spectroscopy
Spectroscopy where the energy states of 1H nuclei placed in a static magnetic field are interrogated by inducing transitions between the states via radio frequency irradiation. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them, and the spectrum is obtained by plotting chemical shift vs. frequency.
one-dimensional 1H nuclear magnetic resonance spectroscopy
PMID:18089833.Cancer Res. 2007 Dec 15;67(24):12018-25. "...Epithelial cells were harvested from histologically confirmed adenocarcinomas .."
A material entity of anatomical origin (part of or deriving from an organism) that has as its parts a maximally connected cell compartment surrounded by a plasma membrane.
A cell in vitro that is or has been maintained or propagated as part of a cell culture.
A cell in vitro that has undergone physical changes as a consequence of a deliberate and specific experimental procedure.
A disease is a disposition (i) to undergo pathological processes that (ii) exists in an organism because of one or more disorders in that organism. [url:http://ontology.buffalo.edu/medo/Disease_and_Diagnosis.pdf ]
A data item that is used to indicate consent permissions for datasets and/or materials, and relates to the purposes for which datasets and/or material might be removed, stored or used.
A categorical data item indicating the primary category the consent code belongs to according to Dyke et al. 2016.
A categorical data item indicating the secondary category the consent code belongs to according to Dyke et al. 2016.
This consent code primary category indicates there is no restriction on use.
Note: the NRES alternative term may be confusing as in the UK it also stands for National Research Ethics Service
This primary category consent code indicates that use is allowed for health/medical/biomedical purposes and other biological research, including the study of population origins or ancestry.
This primary category consent code indicates that use is allowed for health/medical/biomedical purposes; does not include the study of population origins or ancestry.
health/medical/biomedical research and clinical care
This primary category consent code indicates that use is allowed provided it is related to the specified disease.
disease-specific research and clinical care
This primary category consent code indicates that use of the data is limited to the study of population origins or ancestry.
This secondary category consent code indicates that use is limited to studies of a certain research type.
This secondary category consent code indicates that use is limited to research purposes (e.g., does not include its use in clinical care).
This secondary category consent code indicates that use includes methods development research(e.g., development of software or algorithms) only within the bounds of other use limitations.
This secondary category consent code indicates that use is limited to genetic studies only (i.e., no phenotype-only research)
Requirements indicate additional conditions set for use.
This requirement indicates that use is limited to not-for-profit organizations.
This requirement indicates that requestor agrees to make results of studies using the data available to the larger scientific community.
This requirement indicates that the requestor must agree to collaboration with the primary study investigator(s).
This requirement indicates that the requestor must provide documentation of local IRB/ERB approval.
This requirement indicates that use is limited to within a specific geographic region.
This requirement indicates that requestor agrees not to publish results of studies until a specific date
This requirement indicates that use is approved for a specific number of months.
This requirement indicates that use is limited to use by approved users.
This requirement indicates that use is limited to use within an approved project.
This requirement indicates that use is limited to use within an approved institution.
This requirement indicates that the requestor must return derived/enriched data to the database/resource.
return to database/resource
A reference to a place on the Earth, by its name or by its geographical location.
Elemental activities, such as catalysis or binding, describing the actions of a gene product at the molecular level. A given gene product may exhibit one or more molecular functions.
Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
Any process specifically pertinent to the functioning of integrated living units: cells, tissues, organs, and organisms. A process is a collection of molecular events with a defined beginning and end.
The process in which a gene's sequence is converted into a mature gene product or products (proteins or RNA). This includes the production of an RNA transcript as well as any processing to produce a mature RNA product or an mRNA (for protein-coding genes) and the translation of that mRNA into protein. Some protein processing events may be included when they are required to form an active form of a product from an inactive precursor form.
Any macromolecular complex composed (only) of two or more polypeptide subunits along with any covalently attached molecules (such as lipid anchors or oligosaccharide) or non-protein prosthetic groups (such as nucleotides or metal ions). Prosthetic group in this context refers to a tightly bound cofactor. The component polypeptide subunits may be identical.
conditional specification
a directive information entity that specifies what should happen if the trigger condition is fulfilled
PlanAndPlannedProcess Branch
OBI branch derived
measurement unit label
Examples of measurement unit labels are liters, inches, weight per volume.
A measurement unit label is as a label that is part of a scalar measurement datum and denotes a unit of measure.
A unit of measurement is a standardized quantity of a physical quality.
2009-03-16: provenance: a term measurement unit was proposed for OBI (OBI_0000176) , edited by Chris Stoeckert and Cristian Cocos, and subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definition of this, different, term.
2009-03-16: review of this term done during during the OBI workshop winter 2009 and the current definition was considered acceptable for use in OBI. If there is a need to modify this definition please notify OBI.
PERSON: Melanie Courtot
objective specification
In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction.
a directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved.
2009-03-16: original definition when imported from OBI read: "objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed."
2014-03-31: In the example of usage ("In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that.
Answers the question, why did you do this experiment?
PERSON: Barry Smith
PERSON: Bjoern Peters
PERSON: Jennifer Fostel
goal specification
OBI Plan and Planned Process/Roles Branch
Pour the contents of flask 1 into flask 2
a directive information entity that describes an action the bearer will take
OBI Plan and Planned Process branch
action specification
datum label
A label is a symbol that is part of some other datum and is used to either partially define the denotation of that datum or to provide a means for identifying the datum as a member of the set of data with the same label
GROUP: IAO
9/22/11 BP: changed the rdfs:label for this class from 'label' to 'datum label' to convey that this class is not intended to cover all kinds of labels (stickers, radiolabels, etc.), and not even all kind of textual labels, but rather the kind of labels occuring in a datum.
software
Software is a plan specification composed of a series of instructions that can be interpreted by or directly executed by a processing unit.
Software related to the recording or transformation of spectra.
see sourceforge tracker discussion at http://sourceforge.net/tracker/index.php?func=detail&aid=1958818&group_id=177891&atid=886178
PERSON: Chris Stoeckert
GROUP: OBI
data item
Data items include counts of things, analyte concentrations, and statistical summaries.
a data item is an information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements.
2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers.
2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum.
2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym.
2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/
JAR: datum -- well, this will be very tricky to define, but maybe some information-like stuff that might be put into a computer and that is meant, by someone, to denote and/or to be interpreted by some process... I would include lists, tables, sentences... I think I might defer to Barry, or to Brian Cantwell Smith JAR: A data item is an approximately justified approximately true approximate belief
PERSON: Jonathan Rees
data
symbol
a serial number such as "12324X"
a stop sign
a written proper name such as "OBI"
An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity.
20091104, MC: this needs work and will most probably change
2014-03-31: We would like to have a deeper analysis of 'mark' and 'sign' in the future (see https://github.com/information-artifact-ontology/IAO/issues/154).
PERSON: James A. Overton
based on Oxford English Dictionary
information content entity
Examples of information content entites include journal articles, data, graphical layouts, and graphs.
A generically dependent continuant that is about some thing.
2014-03-10: The use of "thing" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ).
information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity.
10 feet. 3 ml.
a scalar measurement datum is a measurement datum that is composed of two parts, numerals and a unit label.
2009-03-16: we decided to keep datum singular in scalar measurement datum, as in this case we explicitly refer to the singular form
Would write this as: has_part some 'measurement unit label' and has_part some numeral and has_part exactly 2, except for the fact that this won't let us take advantage of OWL reasoning over the numbers. Instead use has measurment value property to represent the same. Use has measurement unit label (subproperty of has_part) so we can easily say that there is only one of them.
scalar measurement datum
An information content entity whose concretizations indicate to their bearer how to realize them in a process.
2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was "is the specification of a process that can be concretized and realized by an actor" with alternative term "instruction".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term.
2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it.
8/6/2009 Alan Ruttenberg: Changed label from "information entity about a realizable" after discussions at ICBO
Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan
directive information entity
graph
A diagram that presents one or more tuples of information by mapping those tuples in to a two dimensional space in a non arbitrary way.
PERSON: Lawrence Hunter
person:Allyson Lister
rule
example to be added
a rule is an executable which guides, defines, restricts actions
MSI
PRS
algorithm
PMID: 18378114.Genomics. 2008 Mar 28. LINKGEN: A new algorithm to process data in genetic linkage studies.
A plan specification which describes the inputs and output of mathematical functions as well as workflow of execution for achieving an predefined objective. Algorithms are realized usually by means of implementation as computer programs for execution by automata.
adapted from discussion on OBI list (Matthew Pocock, Christian Cocos, Alan Ruttenberg)
curation status specification
The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value.
Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)
data set
Intensity values in a CEL file or from multiple CEL files comprise a data set (as opposed to the CEL files themselves).
A data item that is an aggregate of other data items of the same type that have something in common. Averages and distributions can be determined for data sets.
2009/10/23 Alan Ruttenberg. The intention is that this term represent collections of like data. So this isn't for, e.g. the whole contents of a cel file, which includes parameters, metadata etc. This is more like java arrays of a certain rather specific type
2014-05-05: Data sets are aggregates and thus must include two or more data items. We have chosen not to add logical axioms to make this restriction.
person:Chris Stoeckert
image
An image is an affine projection to a two dimensional surface, of measurements of some quality of an entity or entities repeated at regular intervals across a spatial range, where the measurements are represented as color and luminosity on the projected on surface.
data about an ontology part is a data item about a part of an ontology, for example a term
data about an ontology part
plan specification
PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice.
A directive information entity with action specifications and objective specifications as parts that, when concretized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified.
2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was " a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term.
2014-03-31: A plan specification can have other parts, such as conditional specifications.
Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved
2/3/2009 Comment from OBI review. Action specification not well enough specified. Conditional specification not well enough specified. Question whether all plan specifications have objective specifications. Request that IAO either clarify these or change definitions not to use them
measurement datum
Examples of measurement data are the recoding of the weight of a mouse as {40,mass,"grams"}, the recording of an observation of the behavior of the mouse {,process,"agitated"}, the recording of the expression level of a gene as measured through the process of microarray experiment {3.4,luminosity,}.
A measurement datum is an information content entity that is a recording of the output of a measurement such as produced by a device.
2/2/2009 is_specified_output of some assay?
version number
A version number is an information content entity which is a sequence of characters borne by part of each of a class of manufactured products or its packaging and indicates its order within a set of other products having the same name.
Note: we feel that at the moment we are happy with a general version number, and that we will subclass as needed in the future. For example, see 7. genome sequence version
conclusion textual entity
that fucoidan has a small statistically significant effect on AT3 level but no useful clinical effect as in-vivo anticoagulant, a paraphrase of part of the last paragraph of the discussion section of the paper 'Pilot clinical study to evaluate the anticoagulant activity of fucoidan', by Lowenthal et. al.PMID:19696660
A textual entity that expresses the results of reasoning about a problem, for instance as typically found towards the end of scientific papers.
2009/10/23 Alan Ruttenberg: We need to work on the definition still
textual entity
Words, sentences, paragraphs, and the written (non-figure) parts of publications are all textual entities
A textual entity is a part of a manifestation (FRBR sense), a generically dependent continuant whose concretizations are patterns of glyphs intended to be interpreted as words, formulas, etc.
AR, (IAO call 2009-09-01): a document as a whole is not typically a textual entity, because it has pictures in it - rather there are parts of it that are textual entities. Examples: The title, paragraph 2 sentence 7, etc.
MC, 2009-09-14 (following IAO call 2009-09-01): textual entities live at the FRBR (http://en.wikipedia.org/wiki/Functional_Requirements_for_Bibliographic_Records) manifestation level. Everything is significant: line break, pdf and html versions of same document are different textual entities.
text
table
| T F --+----- T | T F F | F F
A textual entity that contains a two-dimensional arrangement of texts repeated at regular intervals across a spatial range, such that the spatial relationships among the constituent texts expresses propositions
figure
Any picture, diagram or table
An information content entity consisting of a two dimensional arrangement of information content entities such that the arrangement itself is about something.
diagram
A molecular structure ribbon cartoon showing helices, turns and sheets and their relations to each other in space.
A figure that expresses one or more propositions
document
A journal article, patent application, laboratory notebook, or a book
A collection of information content entities intended to be understood together as a whole
A cartesian spatial coordinate datum is a representation of a point in a spatial region, in which equal changes in the magnitude of a coordinate value denote length qualities with the same magnitude
2009-08-18 Alan Ruttenberg - question to BFO list about whether the BFO sense of the lower dimensional regions is that they are always part of actual space (the three dimensional sort) http://groups.google.com/group/bfo-discuss/browse_thread/thread/9d04e717e39fb617
AR notes: We need to discuss whether it should include site.
cartesian spatial coordinate datum
A cartesion spatial coordinate datum that uses one value to specify a position along a one dimensional spatial region
one dimensional cartesian spatial coordinate datum
A cartesion spatial coordinate datum that uses two values to specify a position within a two dimensional spatial region
two dimensional cartesian spatial coordinate datum
A scalar measurement datum that is the result of measurement of mass quality
mass measurement datum
A scalar measurement datum that is the result of measuring a temporal interval
time measurement datum
Recording the current temperature in a laboratory notebook. Writing a journal article. Updating a patient record in a database.
a planned process in which a document is created or added to by including the specified input in it.
6/11/9: Edited at OBI workshop. We need to be able identify a child form of information artifact which corresponds to something enduring (not brain like). This used to be restricted to physical document or digital entity as the output, but that excludes e.g. an audio cassette tape
Bjoern Peters
wikipedia http://en.wikipedia.org/wiki/Documenting
documenting
line graph
A line graph is a type of graph created by connecting a series of data points together with a line.
PERSON:Chris Stoeckert
line chart
WEB: http://en.wikipedia.org/wiki/Line_chart
The sentence "The article has Pubmed ID 12345." contains a CRID that has two parts: one part is the CRID symbol, which is '12345'; the other part denotes the CRID registry, which is Pubmed.
A symbol that is part of a CRID and that is sufficient to look up a record from the CRID's registry.
PERSON: Bill Hogan
Original proposal from Bjoern, discussions at IAO calls
centrally registered identifier symbol
An information content entity that consists of a CRID symbol and additional information about the CRID registry to which it belongs.
2014-05-05: In defining this term we take no position on what the CRID denotes. In particular do not assume it denotes a *record* in the CRID registry (since the registry might not have 'records').
Alan, IAO call 20101124: potentially the CRID denotes the instance it was associated with during creation.
Note, IAO call 20101124: URIs are not always CRID, as not centrally registered. We acknowledge that CRID is a subset of a larger identifier class, but this subset fulfills our current needs. OBI PURLs are CRID as they are registered with OCLC. UPCs (Universal Product Codes from AC Nielsen)are not CRID as they are not centrally registered.
centrally registered identifier
PubMed is a CRID registry. It has a dataset of PubMed identifiers associated with journal articles.
A CRID registry is a dataset of CRID records, each consisting of a CRID symbol and additional information which was recorded in the dataset through a assigning a centrally registered identifier process.
centrally registered identifier registry
time stamped measurement datum
pmid:20604925 - time-lapse live cell microscopy
A data set that is an aggregate of data recording some measurement at a number of time points. The time series data set is an ordered list of pairs of time measurement data and the corresponding measurement data acquired at that time.
experimental time series
time sampled measurement data set
OpenFLUX2 is a MATLAB-based modelling software for 13C metabolic flux analysis (MFA). Modern techniques like Elementary Metabolite Unit (EMU) framework, are implemented for efficient computing of fluxes. OpenFlux2 is an expanded version of OpenFLUX to support analysis of parallel labeling experiments (PLE) data, i.e. those experiments using several different tracers concomitantly.
a process which uses or consumes chemical/molecular entities to generate other molecular entities
adapted from wikipedia: https://en.wikipedia.org/wiki/Chemical_reaction last accessed: 2018-01-11
chemical reaction
buffer role is a role played by a chemical solution to dampens pH variation
EU H2020 PhenoMenAl
buffer role
derivatization agent role is a role played by a chemical entity involved in a chemical reaction known as derivatization whereby another chemical entity is augmented, but not altered otherwise, with groups specify to the chemical entity acting as a derivatization agent.
derivatization agent role
external standard role is a role played by a material entity used as a reference point for signal acquisition. this is a type of positive control role
external standard role
internal standard role is a role played by a chemical entity added in known amount to an analytical sample
internal standard role
long term reference role is a role played by a material entity known for its stability to provide the means to compare across sets of acquisitions
long term reference role
positive control role is a role played by a material entity in the context of analytical work to provide no signal or a signal as close to baseline as technically possible (within the limits of detection) thereby providing a reference point for the noise and indicative that the detectors and signal acquisition system operate nominally.
negative control role
positive control role is a role played by a material entity in the context of analytical work to provide a signal of known intensity indicative that the detectors and signal acquisition system operate nominally.
positive control role
solvent role is a role played by a chemical entity present in a solution and providing the solvatation activity to other compounds, the solutes.
solvent role
AbsoluteIDQ p150 kit is a reagent system manufactured by Biocrates AG, Austria which allows the targeted metabolite profiling of up to 163 distinct molecular entities with quantitative accuracy on human plasma samples.
AbsoluteIDQ p150 Kit
AbsoluteIDQ p180 kit is a reagent system manufactured by Biocrates AG, Austria which allows the targeted metabolite profiling of up to 188 distinct endogenous molecular entities with quantitative accuracy from 5 different compound classes (i.e. acylcarnitines, amino acids, hexoses, phospho- and sphingolipids and biogenic amines). The assay requires very small sample amounts (10 μL) and shows excellent reproducibility.
AbsoluteIDQ p180 Kit
AbsoluteIDQ Stero17 kit is a reagent system manufactured by Biocrates AG, Austria which allows the targeted metabolite profiling (identification and quantification) of 17 steroid hormones (sex steroids, mineralocorticoids, glucocorticoids).
AbsoluteIDQ Stero17 Kit
AbsoluteIDQ p400 kit is a reagent system manufactured by Biocrates AG, Austria which allows the targeted metabolite profiling of up to 400 distinct molecular entities with quantitative accuracy on human plasma samples.
AbsoluteIDQ p400 Kit
ammonium bicarbonate is kind of buffer solution where the weak base is ammonium and the weak acid carbonic acid.
cosmos tracer based metabolomics working group
ammonium bicarbonate buffer
the bicarbonate buffering system is used to regulate the pH of blood.
A buffer solution (more precisely, pH buffer or hydrogen ion buffer) is an aqueous solution consisting of a mixture of a weak acid and its conjugate base, or vice versa.
buffer
a dilution series sample is a material entity which is part of a collection of such materials, each defined by its dilution factor with respect to a stock solution of reference sample. Dilution series samples are used to assess the linearity of the signal acquisition by providing a set of expected and known quantities.
dilution series reference
Fetal bovine serum (FBS) or fetal calf serum (spelled foetal in Commonwealth English) is a material entity which correspsonds to the blood fraction remaining after the natural coagulation of blood, followed by centrifugation to remove any remaining red blood cells.
fetal bovine serum
HEPES buffer is a buffer which uses HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) as a zwitterionic organic chemical buffering agent .
HEPES buffer
a pooled sample made from fractions from samples collected from large, study independent collection of samples with the purpose of serving as a reference for quality control purpose. Long Term Reference Samples maybe used in ring trials to check cross facility data acquisition consistency but also to enable data integration, irrespective of data acquisition platform or study context but providing a single point of reference against which to normalize. purpose: Inter study variability(within a core facility)
LTR
biological pool (inter) [CEA]
biological pool [MASTR-MS]
inter study QC
H2020 PhenoMenal
long term reference
Phosphated buffer saline (PBS) buffer is a buffer which is a water-based salt solution containing disodium hydrogen phosphate, sodium chloride and, in some formulations, potassium chloride and potassium dihydrogen phosphate.
PBS buffer
quality control material (qc material) is a material entity which is used for the purpose to quality control processes such as assessing unwanted source of variations during signal acquisitions. Typically, these materials are known compounds or mixture of compounds introduced in known quantities into test samples or run as is, diluted from stock to provide reference measurements at fixed temporal intervals.
QC material
quality control material
a reference compound is a chemical entity of know origin, formula and established spectral fingerprint added to a solution of unknown component in known quantities in order to provide a basis (hence the term reference) with which to establish a comparison, be used for calibration or quality control or quantitation estimate for unknown compound in spectral analysis such as NMR or mass spectrometry
pure standard
reference material
reference compound
NIST reference material: https://www.nist.gov/publications/certification-standard-reference-materialr-968f-fat-soluble-vitamins-frozen-human-serum
a reference compound mix is a material entity which consists of composite solution of several molecular entities acting as reference compound and present in known quantity in the mixture, with which to establish a comparison, be used for calibration or quality control or quantitation estimate for unknown compound in spectral analysis such as NMR or mass spectrometry
pure standard mix
reference material mix
reference compound mix
a material entity corresponding to a sample containing no biological sample, which undergoes all laboratory process of preparation as used for test samples and used as a negative control to evaluate contamination effect and artefacts caused by reactions occurring during the sample preparation steps of test samples.
method blank
method reference
sample preparation blank
a material entity corresponding to ‘solvent’ (mobile phase in chromatography context) only, containing no biological sample and used as a negative control to evaluate carry over effect between injections of test samples.
normal blank [Leiden]
solvent blank
a study reference sample is a pool made up of aliquots from all the sample collected in a given study. It is meant to be used to monitor intra study variability, also known as within study variability of the signal acquisition, for instance between batches of such data acquisition.
iQC - internal quality control [Imperial College London]
study reference material
a carrier gas is a chemical entity in gaseous phase with is used for eluting chemical compound in a gas chromatography process.
carrier gas
tert-Butyldimethylsilyl chloride is a derivatization agent
a derivatization agent is a chemical entity which is used in a material combination process known as derivatization and which consists in adding chemical groups to a molecule in an attempt to make it more volatile and therefore amenable to gas-chromatography mass spectrometry.
derivatization agent
QDA reagent
quaternary ammonium dodecyl aminooxy reagent
an isotopic tracer is a molecular entity whose atoms may have entirely or partially replaced with isotopes of the normally occuring element and which can be distinguished from naturally occuring molecular entity through mass analysis or nucleic magnetic resonance analysis.
isotopic tracer
a specificly labeled isotopic tracer is an isotopic tracer where only specific positions on the backbone have been replaced with an isotopic atom. Such molecules are often used in Fluxomics analysis and metabolic path elucidation experiments.
positionally labeled isotopic tracer
uniformly labeled isotopic tracer is an isotopic tracer where all atoms of the backbone are replaced with the same isotope. Such molecules are often used in Fluxomics analysis and metabolic path elucidation experiments.
uniformly labeled isotopic tracer
A single isotopologue represents a set of mass-equivalent isotopomers. It is therefore a set of chemicals representing molecules of the same chemical entity and same isotopic composition. Isotopologue can be monitored using mass spectrometry but only NMR spectroscopy can discriminate between positional isotopomer.
adapted from IUPAC nomenclature
isotopologue
OpenFLUX is a MATLAB-based modelling software for 13C metabolic flux analysis (MFA). Modern techniques like Elementary Metabolite Unit (EMU) framework, are implemented for efficient computing of fluxes.
openFlux
a mass isotopomer (short for isotopic isomer) is a compound which differ from another one only by the position of an isotopic substitution in the molecular backbone. One in a collection of isomers with the same number of each isotope of each element but differing in their positions within the chemical structure.
isotopic isomer
isotopomer
a solvent is a chemical entity playing a solvent role in a solution.
solvent
A non-radioactive, glucose molecule in which all six carbons are substituted with stable carbon 13 (13C) isotope, with potential imaging application or fluxomics studies. CAS RN 110187-42-3
submit to CHEBI
uniformly-labeled [U-13C] glucose
an isotopomer where the isotopic content of specific atoms is known for a part of the molecule
should it be a relation or a class?
partial isotopomer
metabolic flux unit is a measurement unit datum used to qualify a metabolic flux. It is therefore an amount of matter over a temporal interval.
Philippe Rocca-Serra for the COSMOS-Fluxomics Ontology (CFO)
metabolic flux unit
micromolar per milligram of protein per hour is a unit used to report metabolic fluxes. it denotes a measurement indicative of an amount of material over a period of time and normalized to the amount of protein present in the cellular fraction under consideration
umol mg prot-1 hr-1
micromolar per milligram of protein per hour
c13Fluc2 is a software suite of applications for the detailed quantification of intracellular (quasi) steady-state fluxes as explored by 13C-based metabolic flux analysis. The tool is developed and maintained by W. Wiechert at the Institute of Bio- and Geosciences, IBG-1: Biotechnology and JARA High Performance Computing, Forschungszentrum, Julich GmbH, 52428 Julich, Germany.
Weitzel M, Nöh K, Dalman T, Niedenführ S, Stute B, Wiechert W 13CFLUX2 - High-Performance Software Suite for 13C-Metabolic Flux Analysis Bioinformatics 2012 doi: 10.1093/bioinformatics/bts646
13cflux2
C13 is a tool for quantification of in vivo metabolic fluxes, from carbon labelling experiments. The underlying approach is metabolic flux analysis based on stationary carbon isotope labelling experiments, using fractional enrichment data. The mathematical framework adopted herein is the one developed by Wiechert and de Graaf (1997). It is developed and maintained at the Chalmers University of Technology, Department of Chemical and Biological Engineering, Systems Biology group , Kemivägen 10 412 96 Göteborg, Sweden.
C13
An intuitive tool for quantitative investigations of intracellular metabolism by users that are not familiar with numerical methods or isotopic tracer experiments. The aim of this open source software is to enable non-specialists to adapt the software to their specific scientific interests, including other 13C-substrates, labeling mixtures, and organisms. FiatFlux is written in Matlab
fiatFlux
FIA is a software written in python, implementing the FIA (Fluxomer Iterative Algorithm) - a new effective method for 13C metabolic fluxes (tracer) experiments analysis. It is developed by Orr Srour, Jamey D. Young and Yonina C. Eldar at the Technion, Israel Institute of Technology
FIA
Fluxomer Iterative Algorithm
iMAT is a software integrating transcriptomic and proteomic data with genome-scale metabolic network models to predict enzyme metabolic flux. The tool is developed by Tomer Shlomi at The Isreal Institute of Technology
Integrative Metabolic Analysis Tool
Bioinformatics (2010) 26 (24): 3140-3142. https://doi.org/10.1093/bioinformatics/btq602
iMAT
INCA: a computational platform for isotopically non-stationary metabolic flux analysis, Jamey D. Young. Bioinformatics, first published online January 11, 2014. INCA is a software package that can perform both steady-state metabolic flux analysis and isotopically non-stationary metabolic flux analysis. The software provides a framework for comprehensive analysis of metabolic networks using mass balances and elementary metabolite unit balances. The generation of balance equations and their computational solution is completely automated and can be performed on networks of arbitrary complexity.
Isotopomer Network Compartmental Analysis
INCA
Iso2Flux is a Python-based flux analysis software that allows to perform 13C Metabolic Flux Analysis on a sub-network of a large scale model. Iso2flux uses constraint-based modelling to compute steady state fluxes across a large metabolic network and uses such flxues to predict 13C distribution across a subser of the newtork. Then, given a set of 13C data Iso2flux can iteratively find the steady state flux distributions that are most consistent with such fluxes. the source code is available from: https://github.com/cfoguet/iso2flux
Pedro de Atauri
Vitaly Selivanov
iso2flux
“Isodyn” is a C++-program that performs an analysis of stable isotope tracer data to assess metabolic flux profiles in living cells. Isodyn simulates the dynamics of isotopic isomer (isotopomer) distribution in central metabolic pathways, and, by changing its parameters, which reflect the characteristics of corresponding biochemical reactions, fit the simulated dynamics of mass isotopomers to that observed experimentally. The simulated metabolic fluxes that correspond to the best fit are assumed to reproduce the real fluxes in the analyzed biological object and conditions. Isodyn contains tools that check the goodness of fit and perform a statistical analysis of obtained metabolic fluxes. the source code is available from: https://github.com/seliv55/isodyn
isodyn
IsoDesign, a software that enables these parameters to be maximized by optimizing the isotopic composition of the label input. It can be applied to (13) C-MFA investigations using a broad panel of analytical tools (MS, MS/MS, (1) H NMR, (13) C NMR, etc.) individually or in combination. It includes a visualization module to intuitively select the optimal label input depending on the biological question to be addressed. The software is available from: http://metasys.insa-toulouse.fr/software/isodes/
isodesign
Metran is a software for Metabolic Flux Analysis implementing the Elementary Metabolite Units. Metabolic Flux Analysis (MFA) has emerged as a tool of great significance for metabolic engineering and quantitative cell physiology. An important limitation of MFA, as carried out via stable isotope labeling and GC-MS measurements, is the large number of isotopomer/cumomer equations that need to be solved, especially when multiple isotopic tracers are used for the labeling of the system. This restriction reduces the ability of MFA to fully utilize the power of multiple isotopic tracers in elucidating the physiology of realistic situations comprising complex bioreaction networks. To address this limitation, we have developed a novel framework for modeling of isotopic tracer distributions that significantly reduces the number of variables, without any loss of information. The EMU framework is based on a highly efficient decomposition method that identifies the minimum amount of information needed to simulate isotopic labeling within a reaction network using the knowledge of atomic transitions occurring in the network reactions. The functional units generated by the decomposition algorithm, called elementary metabolite units (EMUs), form the new basis for generating system equations that describe the relationship between fluxes and isotopomer abundances. The EMU decomposition algorithm is completely unsupervised and converges within seconds even for very genome-wide network models. Isotopomer abundances simulated using the EMU framework are identical to those obtained using the isotopomer and cumomer frameworks, however, requiring significantly less computation time. For a typical carbon labeling system the total number of equations that needs to be solved is reduced by one order-of-magnitude (100s EMUs vs. 1000s cumomers). As such, the EMU framework is most efficient for the analysis of labeling by multiple isotopic tracers. For example, the analysis of gluconeogenesis network model with 2H, 13C, and 18O tracers requires only 354 EMUs compared to >2,000,000 isotopomers
metran
“midcor.R” is an “R”-program that performs a primary analysis of isotopic isomers (isotopomers) distribution obtained by Gas Chromatography coupled with Mass Spectrometry (GCMS). The aim of this analysis is to have a correct distribution of isotopes originated from substrates that are artificially enriched with specific isotopes (usually 13C). To this end the program performs a correction for natural occurring isotopes and also correction for “impurities” of the assay media that give peaks overlapping with the spectra of analyzed labeled metabolites. This program offers two ways of corrections of “impurities” resulted from overlapping the assayed mass isotopomer distribution with peaks produced either by unknown metabolites in the media, or by different fragments produced by the assayed metabolite. The source code is available from https://github.com/seliv55/midcor
Pedra de Atauri
midcor
an isotopically non-stationary labeling experiment is a material processing used in fluxomics studies where cells cultures are grown in the presence of radiolabeled tracer compound for relatively short amount of time and samples collection before the system can reach an isotopic and metabolic steady state, and is therefore in a non-stationary phase. Such experiment are shorter to run that steady-state labeling experiment and usually allow to determine fluxes with increased precision.
non-stationary isotopic labeling experiment
A non-radioactive, glutamine molecule in which 5 carbons are substituted with stable carbon 13 (13C) isotope and both glutamin nitrogen atoms are substituted with 15N ones, with potential imaging application or fluxomics studies.
OpenMoebius is an integrated software for conventional 13C-Metabolic Flux Analysis and isotopically nonstationary 13C-Metabolic Flux Analysis (INST-13C-MFA). This work is partially supported by JST, Strategic International Collaborative Research Program, SICORP for JP-US Metabolomics.
openMoebius
RaMID is a computer program designed to read the machine-generated files saved in netCDF format containing registered time course of m/z chromatograms. It evaluates the peaks of mass isotopomer distribution (MID) making them ready for further correction for natural isotope occurrence. RaMID is written in “R”, uses library “ncdf4” (it should be installed before the first use of RaMID) and contains several functions, located in the files “ramid.R” and "libcdf.R," designed to read CDF files, and analyze and visualize the spectra that they contain. the source code is available from: https://github.com/seliv55/RaMID
ramid
a software produced by Nicolas Zamboni and colleagues for flux ratio estimation based on a 5 step workflow known as SUMOFLUX and which relies on surrogate modeling. Matlab code available from: http://www.imsb.ethz.ch/research/zamboni/resources.html
sumoflux
The chemical compounds of a living cell are connected by biochemical reactions which convert one compound into another. The reactions are catalyzed by enzymes. Thus, all compounds in a cell are parts of an intricate biochemical network of reactions which is called metabolic network. It is possible to use network analyses to infer how selection acts on metabolic pathways.
adapted from wikipedia: https://en.wikipedia.org/wiki/Biological_network
network
a metabolic pathway is a linked series of chemical reactions occurring within a cell. The reactants, products, and intermediates of an enzymatic reaction are known as metabolites, which are modified by a sequence of chemical reactions catalyzed by enzymes.
pathway
CH4 + 2 O2 → CO2 + 2 H2O, the stoichiometric coefficient of CH4 is -1, the stoichiometric coefficient of O2 is -2, for CO2 it would be +1 and for H2O it is +2
a stoichiometric coefficient is an information object which is part of an equation describing a chemical reaction and which corresponds to the number of molecules of a reactant taking part in a reaction.
stoichiometric coefficient
the amount of time elapsed for a cell culture to growth twice its initial size, usually expressed in hour
cell culture doubling time
Cell seeding density is a measurement datum which denotes the number of cells per surface area in the case of adherent cells or number of cells per volume in the case of free cells deposited in the culture vessel to start a cell culture. The cell seeding density is therefore stated in number of cells per cm2 or number of cells per ml.
cell seeding density
average cell volume is a measurement datum used to report over physcal occupancy of cells under study. This information is used for as input for kinetic modeling.
cell volume
when cells reach 50% confluence level, replenish medium
confluence level is a measurement datum denotes the status of a cell culture and how cells are occupying the space available in a plate. confluence levels are stated in %.
confluence level
dilution factor is a measurement data item which indicates in percentage the level of purity of a material in the context of dilution such as a dilution series.
dilution factor
the amount of dideoxyribonucleic acids present in a cell culture or tissue.
DNA content
intracellular metabolite average content is a measurement provided of metabolite concentration normalized against cell average volume or DNA content or protein content or dry weight
metabolite content
cosmos tracer based metabolomics working group Barcelona meeting, march 2015
interacellular metabolite average content
the concentration of a molecular entity acting as metabolite and stated in standard concentration units, such molar, micromolar and so on
metabolite concentration
metabolite pool size estimate is an information entity used in fluxomics studies to estimate the amount of molecular entity available to a particular metabolic process. It is usually reported in umol per mg of protein.
can be also computed from simulation and be output of such simulation (then provide confidence indicator)
pool size
metabolite pool size estimate
passage number is a measurement data item denoting how many times a cell culture has been split and transferred to a new culture vessel. It can also be considered to be equivalent to how many times a cell culture has reached 100% confluence
passage number
ratio of protein content over a reference standard element (usually bovine serum albumin (BSA))
protein concentration
the amount of (soluble) protein from cell culture or tissue. the quantity of total protein recovered from an extraction process varies depending on the solvent and buffers used during the extraction phase. the amount is usuall expressed in milligram (refer to Unit Ontology)
protein content
signal intensity is a kind of measurement providing an estimate of the strength of a phenomena as it is recorded. For digital detector instrument, the signal intensity is usually a electric intensity or a field strength of the electromagnetic wave transmitting a signal.
signal intensity
Signal intensity of all m/z values at the maximum of the peak (also known as maximum signal intensity) and subtracting baseline.
peak height as signal intensity
maximum m/z values signal intensity with baseline substraction
total volume of cell culture is a measurement data item which denotes the volume occupied by a cell culture
total volume of cell culture
an isotopologue distribution matrix is an information object used in tracer based metabolomics experiments to report the amount of possible isotopologues (sets of isotopomers) derived from the tracer in a metabolic network. the matrix hold the mass isotopomer distributions (MIDs) of Elementary Metabolite Unit (EMU) which will be used as state variables. An EMU is defined as a distinct subset of a metabolite’s atoms. EMUs can exist in a variety of mass states depending on their isotopic compositions. An EMU in its lowest mass state is referred to as M+0, while an EMU that contains one additional atomic mass unit (e.g., due to the presence of a 13C atom in place of a 12C atom) is referred to as M+1, with higher mass states described accordingly. An MID is a vector that contains the fractional abundance of each mass state of an EMU.
DOI 10.1002/bit.21632 An Elementary Metabolite Unit (EMU) BasedMethod of Isotopically Nonstationary Flux Analysis, Jamey D. Young, Jason L. Walther, Maciek R. Antoniewicz, Hyuntae Yoo,Gregory Stephanopoulos, Department of Chemical Engineering, Massachusetts Institute of Technology. http://onlinelibrary.wiley.com/doi/10.1002/bit.21632/epdf
isotopologue distribution matrix
a metabolic flux rate matrix is an information content entity which is defined as a 2 dimensional table associating chemical species with uptake and excretion rate in the cell
metabolic flux rate matrix
a stoichiometry matrix is an information content entity holding arrays of stoichiometric coefficients, each associated to a specific chemical reactions
stoichiometry matrix
a CHEBI identifier for chemical or an HMDB identifier
a centrally registered identifier to denote a metabolite chemical entity
metabolite identifier
a KEGG pathway identifier such as map00010 (http://www.genome.jp/dbget-bin/www_bget?map00010)
a centrally registered identifier which denotes a pathway data item
pathway identifier
a uniprot identifier such P20248 (http://www.uniprot.org/uniprot/P20248)
a centrally registered identifier to denote a molecular entity of the type Protein.
protein identifier
a reactome identifier such as R-HSA-174054
a centrally registered identifier which denotes a chemical reaction.
reaction identifier
calibration is a process which relies on comparison between measurements in order to estimate the reliability of the measurements performed on a particular device or instrument configuration. a calibration process may be used to identify a systematic error in measurement and possibly include it into an error model. a calibration process may be used to detect degradation of parts of instruments when long data acquisition times are needed (e.g. degradation of a chromatography column in a GC-MS chain).
calibration
quality control is a process which aims to ensure that procedures for producing a material or a measurement remain within established error tolerance margins. Quality control often relies on the use of references or standards against which readings are gauged. those standards can be 'negative control' which should produce in an absence of signal or 'positive control', which should result in the presence of a signal of known quality and intensity.
quality control
assessing across studies variability is a quality control process which aims at monitoring the consistency of signal acquisitions between different studies (for instance in the context of meta-analysis and data integration) in order to detect unwanted causes of variation (i.e. variation that was not planned and that should be taken into account).
assessing across studies variability
assessing instrument conditionning is a quality control process which aims at monitoring the stability of the analytical instrument prior to running data acquisition on specimen of interest by running a set of control runs.
assessing instrument conditioning
assessing within study variability is a quality control process which aims at monitoring the consistency of signal acquisition throughout the course of a study in order to detect unwanted causes of variation (i.e. variation that was not planned and that should be taken into account).
assessing within study variability
assessing study batch-to-batch variation is a within study variably quality control which specifically looks at how batching of data acquisition contributes to adding unwanted noice and how to account for it.
assessing study batch to batch variation
detecting carry over event is a quality control process which aims to determine if measurements in one sample are affected to earlier measurements made on different samples and indicative of insufficient matrix regeneration between 2 data acquisition events. this is usually assessed by running solvent blanks or sample preparation blank between analytical runs.
carry over detection
detecting carry over event
detecting departure from linearity event is a quality control process which aims to determine if measurements respond in a linear fashion of a linear increase of concentration of analytes. this is usually assessed by running a dilution series between analytical runs.
linearity departure detection
detecting departure from linearity event
detecting sample degradation event is a quality control process which aims to determine if measurements in samples are affected by their run order or time of acquisition. This is usually assessed by running the same analytical samples at different points along the data acquistion plan (technical replication at the begining and end of runs).
sample degradatation detection
detecting sample degradation event
an investigation which focused on measuring small biological molecules known as metabolite with the goal of understanding biochemical process underlying normal or pathological biological processes
metabolomics investigation
lipidomics investigation is an investigation which aims at determining the lipid content of a biological system under given experimental conditions using data acquisition techniques such as mass spectrometry, nmr spectroscopy or chromatography techniques.
lipidomics investigation
stable isotope resolved metabolomics study is a kind of investigation which uses non-radioactive isotope for labeling compounds which are precursors in key metabolic reaction. These studies therefore allow deciphering reaction and understanding the fluxes in cells. Tracer based pathway discovery study is a specific type of fluxomics study which aims at discovery new metabolic routes and their associated signature metabolites by using isotopically labeled tracers
tracer based metabolite profiling
stable isotope resolved metabolomics study
A kind of assay which attempts to identify and measure relative concentration of all possible metabolites using the method high-performance liquid chromatography (HPLC; formerly referred to as high-pressure liquid chromatography), is a technique in analytical chemistry used to separate, identify, and quantify each component in a mixture.
metabolite quantitation using high performance liquid chromatography
a kind of assay which attempts to identify and measure specific compound/ metabolites (known in advance) expressed as concentration or relative abundance ratio to a standard in a extract derived from a specimen using techniques such as gas chromatography mass spectrometry, liquid chromatography mass spectrometry, NMR spectroscopy or liquid chromatography DAD
targeted metabolite profiling
a kind of assay which attempts to identify and measure relative concentration of all possible metabolites present in a extract derived from a specimen using techniques such as gas chromatography mass spectrometry, liquid chromatography mass spectrometry, NMR spectroscopy.
untargeted metabolite profiling
a fresh culture medium is a culture medium which presents its nominal characteristisc in terms of molecular concentration of its components, pH, and physical chemical expected properties.
fresh culture medium
spent culture medium is a culture medium which has been added to a cell culture and which has been depleted of its component as used by the growing cell and which has received the by products of cell metabolites excreted by the cells. Therefore, spent culture medium will different significantly in pH and physical chemical properties from the initial fresh culture medium added to the cell as the begining of the cell culture. Spent culture medium is usually recovered by aspiration or mild centrifugation (as not to distrupt cell membrane) of the cell culture.
cell culture supernatant
spent medium
spent culture medium
metabolism quenching is a planned processed whose objective is a quick extinction of all biochemical reactions occuring in a biological system in order to fix molecular entity concentrations for downstream quantitation and analysis. An array of physical or chemical agent may be used to achieve that goal.
metabolism immediate extinction
metabolism quenching
direct metabolism quenching by solvent is a kind biochemical reaction extinction process which relies on organic solvents to denature enzymatic machinery and inactivate it.
direct metabolism quenching by solvent
a type of metabolism immediate extinction using cold acetonitrile
metabolism quenching using QDA
metabolism quenching by 13 CD3-QDA in cold CH3CN
a type of metabolism extinction which uses refrigerated buffer containing 60% of methanol ammonium bicarbonate solution
cooled 60% methanol NH4HCO3 metabolism quenching
metabolism quenching using precooled 60 percent methanol ammonium bicarbonate buffer
a type of metabolism extinction which uses refrigerated buffer containing 60% of methanol HEPES solution
metabolism quenching using precooled 60 percent methanol HEPES buffer
a type of metabolism extinction which uses refrigerated PBS buffer
metabolism quenching using precooled PBS buffer
acetonitrile 5%, isopropanol 95% for 15 minutes at flow rate 1 ml/min,
an elution program is a set of recorded instructions which determine the mobile phase (gas or liquid) composition, pressure, temperature and flow rate during the chromatography separation.
elution program
derivatization is a technique used in chemistry which transforms a chemical compound into a product (the reaction's derivate) of similar chemical structure, called a derivative. That compound has properties more amenable to a particular analytical method. Some samples analyzed by GC require derivatization in order to make them suitable for analysis. Compounds that have poor volatility, poor thermal stability, or that can be adsorbed in the injector will exhibit nonreproducible peak areas, heights, and shapes. Other compounds that respond poorly on a specific detector may need to be “tagged” with a different functional group to improve detection.
adapted from https://en.wikipedia.org/wiki/Derivatization and https://www.restek.com/pdfs/CFTS1269.pdf. Last accessed: 2018-01-11
derivatization
a kind of derivatization which results in the addition of acetyl group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
EU cosmos tracer based metabolomics working group
acetylation
a kind of derivatization which results in the addition of trifluoroacetyl group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
trifluoroacetylation
a kind of derivatization which results in the addition of alkyl group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
alkylation
a kind of derivatization which results in the addition of methyl group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
methylation
a kind of derivatization which results in the addition of oxime group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
oximation
a kind of derivatization which results in the addition of silyl group to molecules in an attempt to make ions derived from it more volatile in a gas-chromatography experiment.
silylation
Isotopic labeling (or isotopic labelling) is a technique used to track the passage of an isotope (an atom with a detectable variation) through a reaction, metabolic pathway, or cell. The reactant is 'labeled' by replacing specific atoms by their isotope.
isotopic labeling
Specific isotopic labeling refers to the placement of a single label (e.g., 2H, 13C, or 15N) in a specified location in a molecule.
specific isotopic labeling
isotopic labeling with positional labeled tracer
Uniform labeling refers to biosynthetic labeling of all carbon, nitrogen, or hydrogen sites with stable isotopes. Uniform labeling of proteins with 15N is particularly convenient because of the strategic locations of nitrogens in the backbone and the absence of homonuclear couplings due to the intervening carbons. It is also possible to replace all of the carbons with 13C, although in this case the spectroscopy has to deal with the network of couplings among bonded carbons. Similarly, all of the hydrogens can be replaced with deuterons in order to attenuate the dipolar couplings among the hydrogens that often present complications and difficulties in the experiments.
isotopic labeling with uniformly labeled tracer
a process of collecting a sample when the cells of cell culture growth are collected at a specific phase of the cell division cycle (e.g collection at G2/G1). This often requires a cell synchronization step.
collection at cell cycle phase
a process of collecting a sample when the cells of a cell culture growth are not dividing
collection at cytostatic phase
a process of collecting a sample when the cell culture growth can be approximated by a logarithm function.
collection at specific cell culture passage is a kind of specimen collection which occurs after a strictly defined number of cell culture splitting, defined to control how many cell divisions have been performed.
collection at specific cell culture passage
collection at stabilization phase before experiment is a kind of specimen collection process which takes places once cells have reached a stationary growth phase and prior the main experimental intervention is applied.
collection at stabilization phase before experiment
a process of collecting a sample when the cell culture growth has reached a plateau, indicative of a steady state
collection at steady state phase
collection at stationary phase
Flux balance analysis is a mathematical approach for analyzing the flow of metabolites through a metabolic network. Flux balance analysis calculates the flow of metabolites through a metabolic network, thereby making it possible to predict the growth rate of an organism or the rate of production of a biotechnologically important metabolite.
What is flux balance analysis? Jeffrey D. Orth, Ines Thiele, and Bernhard Ø. Palsson Nat Biotechnol. 2010 Mar; 28(3): 245–248. doi: 10.1038/nbt.1614
flux balance analysis
13C-constrained flux balance analysis
an isotopomer data matrix is a table resulting from the analysis of NMR data acquired in the context of tracer based studies and which contains information about chemical entity assignment
Correcting for the effects of natural abundance in stable isotope resolved metabolomics experiments involving ultra-high resolution mass spectrometry. BMC Bioinformatics. 2010 Mar 17;11:139. doi: 10.1186/1471-2105-11-139.
natural abundance correction is a data transformation which aims to take into account the contribution of natural random variation in isotopic composition in the environment and adjust for it during the calculation of mass isotopologue distribution in a tracer based metabolomics experiment
BMC Bioinformatics. 2010 Mar 17;11:139. doi: 10.1186/1471-2105-11-139. Correcting for the effects of natural abundance in stable isotope resolved metabolomics experiments involving ultra-high resolution mass spectrometry.
isotope natural abundance correction
metabolic flux analysis is a type of investigation which uses data from tracer based studies to provide insights into cellular metabolites creation and destruction.
metabolic flux analysis
steady-state 13C metabolic flux analysis is a metabolic flux analysis approach which relies on 13C tracer experiments and requires long incubation period necessary to meet methodological requirements that all reactions under study have reach steady state. By feeding cells a 13C-labeled substrate and subsequently measuring the patterns of isotope incorporation in downstream metabolic products, extensive information about the intracellular distribution of carbon flux can be obtained. This enables system-wide quantification of reversible, parallel, and cyclic metabolic pathways that would be otherwise unidentifiable based solely upon measurements of extracellular nutrient uptake and product excretion (Zamboni et al., 2009). While 13C MFA provides a rich source of phenotypic information, the application of this technique to mammalian systems presents unique challenges. In particular, the presence of subcellular compartmentation, complex media formulations, and slow labeling dynamics can lead to significant difficulties in experimental design and data interpretation (Zamboni, 2011).
conventional 13C metabolic flux analysis
conventional 13C-MFA
steady state 13C metabolic flux analysis
Isotopically non-stationary MFA (INST-MFA) is a metabolic flux analysis which provides an approach to circumvent limitations from other methods through computational analysis of metabolite labeling patterns obtained during the transient labeling period prior to isotopic steady state (Wiechert and Noh, 2005). This approach offers several advantages over steady-state MFA, including shorter experimental times and the ability to determine fluxes with increased precision (Nöh and Wiechert, 2011; Young and Walther, 2008).
INST-13C-MFA
isotopically non-stationary 13C-metabolic flux analysis
a tracer analysis is a type of experimental procedure which relies on tracer molecules, usually non radioactive, to probe metabolic pathways and biochemical routes
tracer analysis
a normalization process which relies on the signal intensity measured for several reference compounds (internal standards) injected or added to the test samples in known quantities, thereby allowing sample comparison which have been placed on equal footing.
normalization by optimal selection with multiple internal standards
a normalization process which relies on the computing to total signal intensity by simply summing up those signals and then for each sample measurements, dividing it by the total signal. The total sum is used as reference to which sample signals are then compared.
normalization to a total sum
a normalization process used in mass spectrometry signal processing which takes into account the fact that analytes can interact with internal standards and impair accurate estimatation of these. The interaction phenomenon is known as cross contribution and needs to be compensated for.
Compensation for Systematic Cross-Contribution Improves Normalization of Mass Spectrometry Based Metabolomics Data. Henning Redestig, Atsushi Fukushima, Hans Stenlund, Thomas Moritz, Masanori Arita, Kazuki Saito and Miyako Kusano. RIKEN Plant Science Center, Tsurumi-ku, Suehiro-cho, 1-7-22 Yokohama, Kanagawa, 230-0045, Japan, and Umea Plant Science Center, Umea University, 901 87 Umea, Sweden. Anal. Chem., 2009, 81 (19), pp 7974–7980 DOI: 10.1021/ac901143w
normalization to multiple standard with cross contribution compensation
ruv_starter_analysis(Y,X,ctl) http://www-personal.umich.edu/~johanngb/ruv/howto/howto.html
the 2 step normalization is a normalization process which uses 2 complementary steps provided suitable quality controls have been supplied. The process attempts to remove overall unwanted variation given suitable controls and uses factors of interest in the normalization. It relies on linear mixed effects model which utilizes quality control metabolites to obtain normalized data in typical metabolomics experiments.
RUV
RUV-2
Statistical Methods for Handling Unwanted Variation in Metabolomics Data. Alysha M. De Livera, Marko Sysi-Aho, Laurent Jacob, Johann A. Gagnon-Bartsch, Sandra Castillo, Julie A. Simpson, and Terence P. Speed Biostatistics Unit, Centre for Epidemiology and Biostatistics, University of Melbourne, Melbourne, VIC 3800, Australia Zora Biosciences Oy, FIN-02150 Espoo, Finland VTT Technical Research Centre of Finland, P. O. Box 1000, FI-02044 VTT Espoo, Finland Laboratoire de Biométrie et Biologie Evolutive, Université Lyon 1, CNRS, INRA, UMR5558, Villeurbanne, France Department of Statistics, University of California, Berkeley, California United States, 94720 Bioinformatics Division, Walter and Eliza Hall Institute, 1 G Royal Parade, Parkville, Victoria 3052, Australia Department of Mathematics and Statistics, University of Melbourne, VIC 3800, Melbourne, Australia Anal. Chem., 2015, 87 (7), pp 3606–3615 DOI: 10.1021/ac502439y
Using control genes to correct for unwanted variation in microarray data. Gagnon-Bartsch and Speed, 2012. Available at: http://biostatistics.oxfordjournals.org/content/13/3/539.full. Removing Unwanted Variation from High Dimensional Data with Negative Controls. GagnonBartsch, Jacob, and Speed, 2013. Available at: http://statistics.berkeley.edu/tech-reports/820.
remove unwanted variation 2-step normalization
a normalization process which relies on the signal intensity measured for one reference compound (an internal standard) injected or added to the test samples in known quantity, thereby allowing sample comparison which have been placed on equal footing based on this reference.
normalization to a single internal standard
ribose extraction
metabolite extraction is an extraction process which aims to retrieve small molecules known as metabolites, from a specimen
metabolite extraction
lipid extraction is an extraction which aims to retrieve lipid (hydrophobic carbohydrate) from a specimen
lipid extraction
polar metabolite extraction is a metabolite extraction which aims to retrieve water soluble or metabolites with polar solvent solubility properties. This is usually exclusive of hydrophobique, lipophile and lipid like metabolites.
polar metabolite extraction
cell layer enzymatic digestion is a material component separation process which uses an enzyme, usually a protease, to lyse the bonds between cultured cells and their substrates (usually a microplate, which may be coated with anchoring material such as collagen). Once the digestion is complete, cell layers can be harvested with minimal damage to the cells themselves.
cell scraping is a material component separation technique which uses mechanism means (as opposed to enzymatic ones) to detach cultured cells from the growth substrate. The technique is thought to be more aggressive and cause cellular breakage but has the benefit of avoiding use of enzymes, which may have their own side effects on cellular content.
centrifugation is a material component separation process which relies on centrifugational forces applied by means of high velocity rotation to a sample placed in a vial or tube in a rotor, fixed to an centrifugation instrument.
gas chromatography is a material component separation process which use a mobile phase in gaseous form to force a mixture of chemical through chromatography columns and associated detecting equipment, which may be a mass spectrometry in GC-MS applications.
gas chromatography
high performance liquid chromatography is a kind of material component separation process which uses a mobile phase in liquid form to force a mixture of chemical through chromatography columns and associated detecting equipment, which may be a mass spectrometry in LC-MS applications. the notion of high performance comes from the fact that higher pressure is applied to the liquid phase to pass material with adsorbant properties. Those may vary depending on the composition of the mobile phase (gradients between 2 solutions may be used).
HPLC
adapted from https://en.wikipedia.org/wiki/High-performance_liquid_chromatography
high performance liquid chromatography
biomass is a rate measurement datum of how much biochemical or biological material is produced over a period of time. it is usually reported in 'per hour'.
COSMOS
biomass
Flux, or metabolic flux is the rate of turnover of molecules through a metabolic pathway. Flux is regulated by the enzymes involved in a pathway. Within cells, regulation of flux is vital for all metabolic pathways to regulate the metabolic pathway's activity under different conditions. Flux is therefore of great interest in metabolic network modelling, where it is analysed via flux balance analysis. amount per unit of time maybe normalized by protein content
metabolic rate
metabolic flux
An extracellular flux is a metabolic flux indicating the rate of absortion or release of a molecular entity by a cell system from or to its surroundings, respectively.
extracellular flux
an excretion flux is a metabolic flux indicating the rate of release of a metabolite by a cell system to its surroundings.
excretion rate
metabolite excretion flux
an uptake flux is a metabolic flux indicating the rate of absorption of a molecular entity by a cell system from its surroundings
consumption rate
uptake rate
metabolite uptake flux
the reaction rate is a rate measurement datum denoting a biochemical reaction as measured according to standard experimental methods.
reaction rate
continuous fermentation cell culture is a type of processed material which involved a bacterial or yeast cell stock grown in conditions such as nutrients are added and product removed at a steady rate throughout the culture process. This is usually achieved using the specific type of fermenter known as a fed-batch culture reactor).
classes could be moved to become subclasses of 'cell culture process'
continuous fermentation cell culture
a cell culture population where cells are grown on top of each other, producing two layers of cells on the surface of the growth substrate, usually a flask or a petri dish
double layer cell culture
a cell culture population where no cells are grown on top of each other, producing a single layer of cells on the surface of the growth substrate, usually a flask or a petri dish
monolayer cell culture
a sandwich cell culture is a type of cell culture population where the grown cells are in contact with a substratum at the bottom and the top, thereby providing a more defined boundary and level of interaction than in suspension grown cells or in classic monolayer cell cultures.
sandwich cell culture
a 3D cell culture is a cultured cell population grown in conditions which better mimicks in-vivo growth environment (i.e. more effectively than a 2D culture) allowing more complex recapitulation of cellular processes. These cell cultures are achieved by used of scaffolding agents.
spheroid culture
3D cell culture
A Chromatography column is a device used in chromatography for the separation of chemical compounds. A chromatography column contains the stationary phase, allowing the mobile phase to pass through it. Chromatography columns of different types are used in both gas and liquid chromatography.
chromatography column
An Instrument which is used to carry out a high performance liquid chromatography (HPLC; formerly referred to as high-pressure liquid chromatography) technique. HPLC is a technique in analytical chemistry used to separate, identify, and quantify each component in a mixture. It relies on pumps to pass a pressurized liquid solvent containing the sample mixture through a column filled with a solid adsorbent material. The schematic of an HPLC instrument typically includes a degasser, sampler, pumps, and a detector. The sampler brings the sample mixture into the mobile phase stream which carries it into the column. The pumps deliver the desired flow and composition of the mobile phase through the column. The detector generates a signal proportional to the amount of sample component emerging from the column, hence allowing for quantitative analysis of the sample components. A digital microprocessor and user software control the HPLC instrument and provide data analysis.
HPLC instrument
96-well microplate is an array of wells usually arranged in 8 rows of 12 columns whose volume range from 0.2 ml to 1.5 ml and which are used to grow cell or perform biochemical, in-vitro reactions. The material making up the plate may vary and may be surface treated in many custom way.
96-well microplate
a chemostat is a device to which fresh medium is continuously added, while culture liquid is continuously removed to keep the culture volume constant. By changing the rate with which medium is added to the bioreactor the growth rate of the microorganism can be easily controlled. It allows culture to reach physiological steady state and chemostat is often used to gather steady state data about an organism in order to generate a mathematical model relating to its metabolic processes. The name chemostat stems from "Chemical environment is static". The most striking advantages of chemostats are two-fold: microorganisms can be kept at a constant environmental conditions until the cultivated microorganisms reach steady state, defined by their specific growth rate (μ) being in balance with the dilution rate (D). Once the system is equilibrated, the steady state data can be used for quantification of physiological parameters and metabolic rates of organisms, which are eventually required for the parameterization of mathematical models.
10.4319/lom.2014.12.432 http://onlinelibrary.wiley.com/doi/10.4319/lom.2014.12.432/epdf
chemostat
a coated microplate is a kind of microplate whom surface has been treated in some, for instance by covalently attaching protein such as antibodies and cell matrix molecules to favor cell growth or induce speficic cellular behavior.
a constantly fed-btach culture reactor is a device in which the feed rate of a growth-limiting substrate is constant, i.e. the feed rate is invariant during the culture.
CFBC
constantly fed-batch culture reactor
an exponentially fed-batch culture reactor is a device which deliver the ability to grow cells in a way non too dissimilar to that of a chemostat based culture, meaning that the cells are in a quasi steady-state condition.
EFBC
exponentially fed-batch culture reactor
A container in which fermentation takes place.
a flask is a kind of container used for cell culture, and which is available in an array of material (usually transparent plastic polymer) which may be surface treated.
a petri dish is a container used to grow cells or perform biochemical reactions, which used to be made of glass, but which is now available in a variety of surface treated or non-treated plastic polymers. a petri dish is a thin cylinder with the upper part acting as a lid, resting on small peg, large enough to enable gaseaous exchanges but still preventing water evaporation.
a uncoated microplate is a kind of microplate whom surface has not received any treatment and is uniquely made of polymer.
mass spectrometry instrument
import from NMRMLCV
NMR instrument
high dose is a dose specifically set to trigger strong response in the system it is administered to, those effects may be toxic. Also, the denomination allows a discrete, categorical classification of the dose points, irrespective of the actual quantity administered thereby allowing to capture the intent of the operator, something which is not necessary explicit when reading the quantitative dose reading (specific to a chemical entity and a system).
high dose
low dose is a dose specifically set to trigger no or very limited response in the system it is administered to, those effects are not expected to be toxic. Also, the denomination allows a discrete, categorical classification of the dose points, irrespective of the actual quantity administered thereby allowing to capture the intent of the operator, something which is not necessary explicit when reading the quantitative dose reading (specific to a chemical entity and a system).
low dose
a "lethal dose" represents a dose (usually recorded as dose per kilogram of subject body weight) at which a given percentage of subjects will die.
lethal dose
the "lethal dose 50" represents a dose (usually recorded as dose per kilogram of subject body weight) at which 50% of subjects will die.
LD50
lethal dose 50
medium dose is a dose specifically set to trigger limited but clear response in the system it is administered to, those effects are not expected to be toxic but may be. Also, the denomination allows a discrete, categorical classification of the dose points, irrespective of the actual quantity administered thereby allowing to capture the intent of the operator, something which is not necessary explicit when reading the quantitative dose reading (specific to a chemical entity and a system).
medium dose
noael dose is a dose defined as the highest experimental point that is without adverse effect.
No Observed Adverse Effect Level dose
NOAEL dose
continuous fermentation cell culture is a type of processed material which involved a bacterial or yeast cell stock grown in conditions such as nutrients are added at the begining of the culture process and products removed at the end.
fluxomics is a kind of investigation which aims at identifying, quantifying the fluxes of molecules in cellular systems and understanding the cellular metabolism.
fluxomics investigation
mass isotopomer fractional abundance is a measurement data item corresponding to the following: the most abundant species is given the value 100 and all other species are normalized relative to 100 and expressed as percent relative abundance. fractional abundance of Mx=Ax= (abundance Mx) / ∑(i=0..n) abundance Mi, where Mx represents mass isotopomer Mx.
mass isotopomer distribution
mass isotopomer fractional abundance
steady state labeling experiment is a material processing used in fluxomics studies where cells cultures are grown continuously in the presence of radiolabeled tracer compound throughout multiple platings. The redistribution of the label into metabolic intermediates and end-products is analysed when the system has reached an isotopic and metabolic steady state.
steady state isotopic labeling experiment
the m/z notation is used for the independent variable in a mass spectrum. The mass-to-charge ratio (m/Q) is a physical quantity that is most widely used in the electrodynamics of charged particles, e.g. in electron optics and ion optics. It appears in the scientific fields of electron microscopy, cathode ray tubes, accelerator physics, nuclear physics, Auger electron spectroscopy, cosmology and mass spectrometry.
adapted from wikipedia: https://en.wikipedia.org/wiki/Mass-to-charge_ratio
a m over z ratio which underwent a correction data transformation to take into account variations caused by a specific aspects of the data acquisition process.
a m over z ratio which underwent a correction data transformation that takes into account the signal obtained from a reference compound and its spectral characteristics.
a m over z ratio which underwent a correction data transformation that takes into account the signal obtained from a reference compound, its spectral characteristics as well as the contributions caused by adducts generated during the ionization process.
Retention time (RT) is a measure of the time taken for a solute to pass through a chromatography column. It is calculated as the time from injection to detection.
The area of a peak is a kind of data derived from a spectrum which is proportional to the product of its height and its width of a spectrum peak, but the proportionality constant depends on the peak shape.
adapted from: https://terpconnect.umd.edu/~toh/spectrum/Integration.html
a normalized corrected peak area is a type of peak area which is produced followed a normalization data transformation and correction in order to make spectra comparable.
Signal intensity of all m/z values after integrating the whole peak and subtracting baseline
peak area as signal intensity
total m/z signal intensity integrating over the whole peak with baseline substraction
chemical entity assignment is an annotation which uses spectral information to assign and identify and molecular entity/chemical compound. Various methods manual and computer assisted may be used.
assignment by database search is a type of chemical entity assignment which relies on probing chemical electronic libraries and chemical databases to determine matching structure and thereby attempt to assign a chemical identity. Searches may rely on InChi string or keys for instance.
chemical entity assignment by direct assignment to standards is a data transformation process which uses spectral information from a known compound (ie. the standard) to match the signature and affirm identity based on the spectral features found in the sample.
chemical entity assignment by indirect assignment to standards is a data transformation process which uses spectral information from a known compound (ie. the standard) to infer chemical properties about another compound found in the sample.
planned process
Injecting mice with a vaccine in order to test its efficacy
A processual entity that realizes a plan which is the concretization of a plan specification.
'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)
We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some objectives is a planned process.
6/11/9: Edited at workshop. Used to include: is initiated by an agent
This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)
processed material
Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples
Is a material entity that is created or changed during material processing.
investigation
Lung cancer investigation using expression profiling, a stem cell transplant investigation, biobanking is not an investigation, though it may be part of an investigation
a planned process that consists of parts: planning, study design execution, documentation and which produce conclusion(s).
Could add specific objective specification
Following OBI call November 2012,26th: it was decided there was no need for adding "achieves objective of drawing conclusion" as existing relations were providing equivalent ability. this note closes the issue and validates the class definition to be part of the OBI core editor = PRS
evaluant role
When a specimen of blood is assayed for glucose concentration, the blood has the evaluant role. When measuring the mass of a mouse, the evaluant is the mouse. When measuring the time of DNA replication, the evaluant is the DNA. When measuring the intensity of light on a surface, the evaluant is the light source.
a role that inheres in a material entity that is realized in an assay in which data is generated about the bearer of the evaluant role
Role call - 17nov-08: JF and MC think an evaluant role is always specified input of a process. Even in the case where we have an assay taking blood as evaluant and outputting blood, the blood is not the specified output at the end of the assay (the concentration of glucose in the blood is)
examples of features that could be described in an evaluant: quality.... e.g. "contains 10 pg/ml IL2", or "no glucose detected")
Feb 10, 2009. changes after discussion at OBI Consortium Workshop Feb 2-6, 2009. accepted as core term.
assay
Assay the wavelength of light emitted by excited Neon atoms. Count of geese flying over a house.
A planned process with the objective to produce information about the material entity that is the evaluant, by physically examining it or its proxies.
12/3/12: BP: the reference to the 'physical examination' is included to point out that a prediction is not an assay, as that does not require physical examiniation.
measuring
scientific observation
quantitative confidence value
A data item which is used to indicate the degree of uncertainty about a measurement.
A growth medium or culture medium is a substance in which microorganisms or cells can grow. Wikipedia, growth medium, Feb 29, 2008
a processed material that provides the needed nourishment for microorganisms or cells grown in vitro.
changed from a role to a processed material based on on Aug 22, 2011 dev call. Details see the tracker item: http://sourceforge.net/tracker/?func=detail&aid=3325270&group_id=177891&atid=886178 Modification made by JZ.
Person: Jennifer Fostel, Jie Zheng
OBI
culture medium
Buffer, dye, a catalyst, a solvating agent.
A role inhering in a biological or chemical entity that is intended to be applied in a scientific technique to participate (or have molecular components that participate) in a chemical reaction that facilitates the generation of data about some entity distinct from the bearer, or the generation of some specified material output distinct from the bearer.
PERSON:Matthew Brush
Feb 10, 2009. changes after discussion at OBI Consortium Workshop Feb 2-6, 2009. accepted as core term. May 28 2013. Updated definition taken from ReO based on discussions initiated in Philly 2011 workshop. Former defnition described a narrower view of reagents in chemistry that restricts bearers of the role to be chemical entities ("a role played by a molecular entity used to produce a chemical reaction to detect, measure, or produce other substances"). Updated definition allows for broader view of reagents in the domain of biomedical research to include larger materials that have parts that participate chemically in a molecular reaction or interaction.
(copied from ReO) Reagents are distinguished from instruments or devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in or have parts that participate in some chemical interaction or reaction during their intended participation in some technique. By contrast, instruments do not participate in a chemical reaction/interaction during the technique. Reagents are distinguished from study subjects/evaluants in that study subjects and evaluants are that about which conclusions are drawn and knowledge is sought in an investigation - while reagents, by definition, are not. It should be noted, however, that reagent and study subject/evaluant roles can be borne by instances of the same type of material entity - but a given instance will realize only one of these roles in the execution of a given assay or technique. For example, taq polymerase can bear a reagent role or an evaluant role. In a DNA sequencing assay aimed at generating sequence data about some plasmid, the reagent role of the taq polymerase is realized. In an assay to evaluate the quality of the taq polymerase itself, the evaluant/study subject role of the taq is realized, but not the reagent role since the taq is the subject about which data is generated. In regard to the statement that reagents are 'distinct' from the specified outputs of a technique, note that a reagent may be incorporated into a material output of a technique, as long as the IDENTITY of this output is distinct from that of the bearer of the reagent role. For example, dNTPs input into a PCR are reagents that become part of the material output of this technique, but this output has a new identity (ie that of a 'nucleic acid molecule') that is distinct from the identity of the dNTPs that comprise it. Similarly, a biotin molecule input into a cell labeling technique are reagents that become part of the specified output, but the identity of the output is that of some modified cell specimen which shares identity with the input unmodified cell specimen, and not with the biotin label. Thus, we see that an important criteria of 'reagent-ness' is that it is a facilitator, and not the primary focus of an investigation or material processing technique (ie not the specified subject/evaluant about which knowledge is sought, or the specified output material of the technique).
reagent role
A cell lysis, production of a cloning vector, creating a buffer.
A planned process which results in physical changes in a specified input material
material transformation
material processing
study subject role
Human subjects in a clinical trial, rats in a toxicogenomics study, tissue cutlures subjected to drug tests, fish observed in an ecotoxicology study. Parasite example: people are infected with a parasite which is then extracted; the particpant under investigation could be the parasite, the people, or a population of which the people are members, depending on the nature of the study. Lake example: a lake could realize this role in an investigation that assays pollution levels in samples of water taken from the lake.
A role that is realized through the execution of a study design in which the bearer of the role participates and in which data about that bearer is collected.
A participant can realize both "specimen role" and "participant under investigation role" at the same time. However "participant under investigation role" is distinct from "specimen role", since a specimen could somehow be involved in an investigation without being the thing that is under investigation.
GROUP: Role Branch
Following OBI call November 2012,26th: 1. it was decided there was no need for moving the children class and making them siblings of study subject role. 2. it also settles the disambiguation about 'study subject'. This is about the individual participating in the investigation/study, Not the 'topic' (as in 'toxicity study') of the investigation/study This note closes the issue and validates the class definition to be part of the OBI core editor = PRS
participant under investigation role
liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient.
a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation
22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role.
Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation.
blood taken from animal: animal continues in study, whereas blood has role specimen. something taken from study subject, leaves the study and becomes the specimen.
parasite example - when parasite in people we study people, people are subjects and parasites are specimen - when parasite extracted, they become subject in the following study specimen can later be subject.
specimen role
intervention design
PMID: 18208636.Br J Nutr. 2008 Jan 22;:1-11.Effect of vitamin D supplementation on bone and vitamin D status among Pakistani immigrants in Denmark: a randomised double-blinded placebo-controlled intervention study.
An intervention design is a study design in which a controlled process applied to the subjects (the intervention) serves as the independent variable manipulated by the experimentalist. The treatment (perturbation or intervention) defined can be defined as a combination of values taken by independent variable manipulated by the experimentalists are applied to the recruited subjects assigned (possibly by applying specific methods) to treatment groups. The specificity of intervention design is the fact that independent variables are being manipulated and a response of the biological system is evaluated via response variables as monitored by possibly a series of assays.
Philppe Rocca-Serra
p-value
PMID:19696660 in contrast to the in-vivo data AT-III increased significantly from 113.5% at baseline to 117% after 4 days (n = 10, P-value= 0.02; Table 2).
A quantitative confidence value that represents the probability of obtaining a result at least as extreme as that actually obtained, assuming that the actual value was the result of chance alone.
May be outside the scope of OBI long term, is needed so is retained
WEB: http://en.wikipedia.org/wiki/P-value
population
PMID12564891. Environ Sci Technol. 2003 Jan 15;37(2):223-8. Effects of historic PCB exposures on the reproductive success of the Hudson River striped bass population.
a population is a collection of individuals from the same taxonomic class living, counted or sampled at a particular site or in a particular area
1/28/2013, BP, on the call it was raised that we may want to switch to an external ontology for all populatin terms: http://code.google.com/p/popcomm-ontology/
PERSON: Philippe Rocca-Serra
adapted from Oxford English Dictionnary
rem1: collection somehow always involve a selection process
imaging assay
An imaging assay is an assay to produce a picture of an entity. definition_source: OBI.
organization
PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods.
An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members.
BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: 1) there are organization_member_roles (president, treasurer, branch editor), with individual persons as bearers 2) there are organization_roles (employer, owner, vendor, patent holder) 3) an organization has a charter / rules / bylaws, which specify what roles there are, how they should be realized, and how to modify the charter/rules/bylaws themselves. It is debatable what the organization itself is (some kind of dependent continuant or an aggregate of people). This also determines who/what the bearer of organization_roles' are. My personal favorite is still to define organization as a kind of 'legal entity', but thinking it through leads to all kinds of questions that are clearly outside the scope of OBI. Interestingly enough, it does not seem to matter much where we place organization itself, as long as we can subclass it (University, Corporation, Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, W3C, University of Oklahoma), and have it play roles. This leads to my proposal: We define organization through the statements 1 - 3 above, but without an 'is a' statement for now. We can leave it in its current place in the is_a hierarchy (material entity) or move it up to 'continuant'. We leave further clarifications to BFO, and close this issue for now.
dye role
A molecular label role which inheres in a material entity and which is realized in the process of detecting a molecular dye that imparts color to some material of interest.
Jennifer Fostel
A substance used to color materials www.answers.com/topic/dye 19feb09
protocol
PCR protocol, has objective specification, amplify DNA fragment of interest, and has action specification describes the amounts of experimental reagents used (e..g. buffers, dNTPS, enzyme), and the temperature and cycle time settings for running the PCR.
A plan specification which has sufficient level of detail and quantitative information to communicate it between investigation agents, so that different investigation agents will reliably be able to independently reproduce the process.
OBI branch derived + wikipedia (http://en.wikipedia.org/wiki/Protocol_%28natural_sciences%29)
Glucose in blood (measured in an assay to determine the concentration of glucose).
A role borne by a molecular entity or an atom and realized in an analyte assay which achieves the objective to measure the magnitude/concentration/amount of the analyte in the entity bearing evaluant role
interestingly, an analyte is still an analyte even if it is not detected. for this reason it does not bear a specified input role
pH (technically the inverse log of [H+]) may be considered a quality; this remains to be tested.
qualities such as weight, color are not assayed but measured, so they do not fall into this category.
analyte role
Concluding that a gene is upregulated in a tissue sample based on the band intensity in a western blot. Concluding that a patient has a infection based on measurement of an elevated body temperature and reported headache. Concluding that there were problems in an investigation because data from PCR and microarray are conflicting. Concluding that 'defects in gene XYZ cause cancer due to improper DNA repair' based on data from experiments in that study that gene XYZ is involved in DNA repair, and the conclusion of a previous study that cancer patients have an increased number of mutations in this gene.
A planned process in which data gathered in an investigation is evaluated in the context of existing knowledge with the objective to generate more general conclusions or to conclude that the data does not allow one to draw general conclusion
drawing a conclusion based on data
The process of a scientist thinking about and deciding what reagents to use as part of a protocol for an experiment. Note that the scientist could be human or a "robot scientist" executing software.
a process of creating or modifying a plan specification
7/18/2011 BP: planning used to itself be a planned process. Barry Smith pointed out that this would lead to an infinite regression, as there would have to be a plan to conduct a planning process, which in itself would be the result of planning etc. Therefore, the restrictions on 'planning' were loosened to allow for informal processes that result in an 'ad hoc plan '. This required changing from 'has_specified_output some plan specifiction' to 'has_participant some plan specification'.
planning
contain function
A contain function is a function to constrain a material entities location in space
material separation function
A material separation function is a function that increases the resolution between two or more material entities. The to distinction between the entities is usually based on some associated physical quality.
averaging objective
A mean calculation which has averaging objective is a descriptive statistics calculation in which the mean is calculated by taking the sum of all of the observations in a data set divided by the total number of observations. It gives a measure of the 'center of gravity' for the data set. It is also known as the first moment.
An averaging objective is a data transformation objective where the aim is to perform mean calculations on the input of the data transformation.
James Malone
enzyme
(protein or rna) or has_part (protein or rna) and has_function some GO:0003824 (catalytic activity)
MC: known issue: enzyme doesn't classify under material entity for now as it isn't stated that anything that has_part some material entity is a material entity. If we add as equivalent classes to material entity has_part some material entity and part_of some material entity (each one in his own necessary and sufficient block) Pellet in P3 doesn't classify any more.
The objective to measure the concentration of glucose in a blood sample
an assay objective to determine the presence or concentration of an analyte in the evaluant
analyte measurement objective
the objective to determine the weight of a mouse.
an objective specification to determine a specified type of information about an evaluated entity (the material entity bearing evaluant role)
assay objective
example of usage: In lab test for blood glucose, the test is the assay, the blood bears evaluant_role and glucose bears the analyte role. The evaluant is considered an input to the assay and the information entity that records the measurement of glucose concentration the output
An assay with the objective to capture information about the presence, concentration, or amount of an analyte in an evaluant.
Note: is_realization of some analyte role isn't always true, for example when there is none of the analyte in the evaluant. For the moment we are writing it this way, but when the information ontology is further worked out this will be replaced with a condition discussing the measurement.
logical def modified to remove expression below, as some analyte assays report below the level of detection, and therefore not a scalar measurement datum, replaced by measurement datum and ('has measurement unit label' some 'measurement unit label') and ('is quality measurement of' some 'molecular concentration'))
PERSON:Bjoern Peters, Helen Parkinson, Philippe Rocca-Serra, Alan Ruttenberg
PERSON:Bjoern Peters PERSON:Helen Parkinson PERSON:Philippe Rocca-Serra PERSON:Alan Ruttenberg GROUP:OBI Planned process branch
analyte assay
A data set that is produced as the output of a normalization data transformation.
normalized data set
measure function
A glucometer measures blood glucose concentration, the glucometer has a measure function.
Measure function is a function that is borne by a processed material and realized in a process in which information about some entity is expressed relative to some reference.
The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS.
an objective specifiction that creates an specific output object from input materials.
artifact creation objective
material transformation objective
injecting a mouse with PBS solution, weighing it, and recording the weight according to a study design.
a planned process that carries out a study design
removed axiom has_part some (assay or 'data transformation') per discussion on protocol application mailing list to improve reasoner performance. The axiom is still desired.
6/11/9: edited at workshop. Used to be: study design execution is a process with the objective to generate data according to a concretized study design. The execution of a study design is part of an investigation, and minimally consists of an assay or data transformation.
The objective to obtain multiple aliquots of an enzyme preparation. The objective to obtain cells contained in a sample of blood.
is an objective to transform a material entity into spatially separated components.
Mixing two fluids. Adding salt into water. Injecting a mouse with PBS.
is a material processing with the objective to combine two or more material entities as input into a single material entity as output.
created at workshop as parent class for 'adding material into target', which is asymmetric, while combination encompasses all addition processes.
drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation
A planned process with the objective of collecting a specimen.
Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role.
Philly2013: The specimen_role for the specimen is created during the specimen collection process.
label changed to 'specimen collection process' on 10/27/2014, details see tracker: http://sourceforge.net/p/obi/obi-terms/716/
5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession
A data set that is produced as the output of an error correction data transformation and consists of producing a data set which has had erroneous contributions from the input to the data transformation removed (corrected for).
error corrected data set
error correction data transformation
An error correction data transformation is a data transformation that has the objective of error correction, where the aim is to remove (correct for) erroneous contributions from the input to the data transformation.
A data item that is produced as the output of a center calculation data transformation and represents the center value of the input data.
center value
The objective to obtain multiple aliquots of an enzyme preparation.
A material separation objective aiming to separate material into multiple portions, each of which contains a similar composition of the input material.
A data item that is produced as the output of an averaging data transformation and represents the average value of the input data.
average value
separation into different composition objective
The objective to obtain cells contained in a sample of blood.
A material separation objective aiming to separate a material entity that has parts of different types, and end with at least one output that is a material with parts of fewer types (modulo impurities).
We should be using has the grain relations or concentrations to distinguish the portioning and other sub-objectives
The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient.
A objective specification to obtain a material entity for potential use as an input during an investigation.
is an objective to obtain an output material that contains several input materials.
a role borne by a portion of blood taken to represent all the blood in an organism; the role borne by a population of humans with HIV enrolled in a study taken to represent patients with HIV in general.
A material sample role is a specimen role borne by a material entity that is the output of a material sampling process.
7/13/09: Note that this is a relational role: between the sample taken and the 'sampled' material of which the sample is thought to be representative off.
A specimen gathering process with the objective to obtain a specimen that is representative of the input material entity
blood drawn from patient to measure his systemic glucose level. A population of humans with HIV enrolled in a study taken to represent patients with HIV in general.
A material entity that has the material sample role
In a study in which gene expression is measured in patients between 8 month to 4 years old that have mild or severe malaria and in which the hypothesis is that gene expression in that age group is a function of disease status, disease status is the independent variable.
a directive information entity that is part of a study design. Independent variables are entities whose values are selected to determine its relationship to an observed phenomenon (the dependent variable). In such an experiment, an attempt is made to find evidence that the values of the independent variable determine the values of the dependent variable (that which is being measured). The independent variable can be changed as required, and its values do not represent a problem requiring explanation in an analysis, but are taken simply as given. The dependent variable on the other hand, usually cannot be directly controlled
2/2/2009 Original definition - In the design of experiments, independent variables are those whose values are controlled or selected by the person experimenting (experimenter) to determine its relationship to an observed phenomenon (the dependent variable). In such an experiment, an attempt is made to find evidence that the values of the independent variable determine the values of the dependent variable (that which is being measured). The independent variable can be changed as required, and its values do not represent a problem requiring explanation in an analysis, but are taken simply as given. The dependent variable on the other hand, usually cannot be directly controlled.
In the Philly 2013 workshop the label was chosen to distinguish it from "dependent variable" as used in statistical modelling. See: http://en.wikipedia.org/wiki/Statistical_modeling
Web: http://en.wikipedia.org/wiki/Dependent_and_independent_variables
2009-03-16: work has been done on this term during during the OBI workshop winter 2009 and the current definition was considered acceptable for use in OBI. If there is a need to modify thisdefinition please notify OBI.
study design independent variable
In a study in which gene expression is measured in patients between 8 month to 4 years old that have mild or severe malaria and in which the hypothesis is that gene expression in that age group is a function of disease status, the gene expression is the dependent variable.
dependent variable specification is part of a study design. The dependent variable is the event studied and expected to change when the independent variable varies.
2/2/2009 In the design of experiments, independent variables are those whose values are controlled or selected by the person experimenting (experimenter) to determine its relationship to an observed phenomenon (the dependent variable). In such an experiment, an attempt is made to find evidence that the values of the independent variable determine the values of the dependent variable (that which is being measured). The independent variable can be changed as required, and its values do not represent a problem requiring explanation in an analysis, but are taken simply as given. The dependent variable on the other hand, usually cannot be directly controlled.
study design dependent variable
A measurement data that represents the percentage of people or animals in a study or treatment group who are alive for a given period of time after diagnosis or initiation of monitoring.
adapted from wikipedia http://en.wikipedia.org/wiki/Survival_rate
Application of the Bonferroni correction
A multiple testing correction objectives is a data transformation objective where the aim is to correct for a set of statistical inferences considered simultaneously
multiple comparison correction objective
An objective specification maintains some or all of the qualities of a material over time.
a quality of a DNA molecule that inheres in its bearer due to the order of its DNA nucleotide residues.
A ruler, a microarray scanner, a Geiger counter.
A device in which a measure function inheres.
a process with that achieves the objective to maintain some or all of the characteristics of an input material over time
the part of the execution of an intervention design study which is varied between two or more subjects in the study
A device with a separation function realized in a planed process
A measurement datum that is reported on a categorical scale
The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels.
A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale.
A device that can be used to restrict the location of material entities over time
03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?)
A voltmeter is a measurement device which is intended to perform some measure function.
An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure.
A material entity that is designed to perform a function in a scientific investigation, but is not a reagent.
2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of "device", and are enumerating the types of roles that a reagent can perform. 2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: (1) An HPLC machine is considered a device, but has a column that holds a stationary phase resin as an operational component. This resin qualifies as a device if it participates purely in size exclusion, but bears a reagent role that is realized in the running of a column if it interacts electrostatically or chemically with the evaluant. The container the resin is in (“the column”) considered alone is a device. So the entire column as well as the entire HPLC machine are devices that have a reagent as an operating part. (2) A pH meter is a device, but its electrode component bears a reagent role in virtue of its interacting directly with the evaluant in execution of an assay. (3) A gel running box is a device that has a metallic lead as a component that participates in a chemical reaction with the running buffer when a charge is passed through it. This metallic lead is considered to have a reagent role as a component of this device realized in the running of a gel. In the examples above, a reagent is an operational component of a device, but the device itself does not realize a reagent role (as bearing a reagent role is not transitive across the part_of relation). In this way, the asserted disjointness between a reagent and device holds, as both roles are never realized in the same bearer during execution of an assay.
An organism has been injected 1ml of vaccine
A measurement datum that measures the quantity of something that may be administered to an organism or that an organism may be exposed to. Quantities of nutrients, drugs, vaccines and toxins are referred to as doses.
A data item of paired values, one indicating the dose of a material, the other quantitating a measured effect at that dose. The dosing intervals are chosen so that effect values be interpolated by a plotting a curve.
genetic population background information
genotype information 'C57BL/6J Hnf1a+/-' in this case, C57BL/6J is the genetic population background information
a genetic characteristics information which is a part of genotype information that identifies the population of organisms
proposed and discussed on San Diego OBI workshop, March 2011
Group: OBI group
genotype information
Genotype information can be: Mus musculus wild type (in this case the genetic population background information is Mus musculus), C57BL/6J Hnf1a+/- (in this case, C57BL/6J is the genetic population background information and Hnf1a+/- is the allele information
a genetic characteristics information that is about the genetic material of an organism and minimally includes information about the genetic background and can in addition contain information about specific alleles, genetic modifications, etc.
discussed on San Diego OBI workshop, March 2011
allele information
genotype information 'C57BL/6J Hnf1a+/-' in this case, Hnf1a+/- is the allele information
a genetic alteration information that about one of two or more alternative forms of a gene or marker sequence and differing from other alleles at one or more mutational sites based on sequence. Polymorphisms are included in this definition.
Person: Chris Stoeckert, Jie Zheng
genetic alteration information
a genetic characteristics information that is about known changes or the lack thereof from the genetic background, including allele information, duplication, insertion, deletion, etc.
genetic characteristics information
a data item that is about genetic material including polymorphisms, disease alleles, and haplotypes.
MO_66 IndividualGeneticCharacteristics
MO definition: The genotype of the individual organism from which the biomaterial was derived. Individual genetic characteristics include polymorphisms, disease alleles, and haplotypes. examples in ArrayExpress wild_type MutaMouse (CD2F1 mice with lambda-gt10LacZ integration) AlfpCre; SNF5 flox/knockout p53 knock out C57Bl/6 gp130lox/lox MLC2vCRE/+ fer-15; fem-1 df/df pat1-114/pat1-114 ade6-M210/ade6-M216 h+/h+ (cells are diploid)
PMID: 20483222. Comp Biochem Physiol Part D Genomics Proteomics. 2008 Sep;3(3):234-42. Analysis of Sus scrofa liver proteome and identification of proteins differentially expressed between genders, and conventional and genetically enhanced lines. "After controlling the false discovery rate (FDR</=0.1) using the Storey q value only four proteins (EPHX1, CAT, PAH, ST13) were shown to be differentially expressed between genders (Males/Females) and two proteins (SELENBP2, TAGLN) were differentially expressed between two lines (Transgenic/Conventional pigs)"
A quantitative confidence value that measures the minimum false discovery rate that is incurred when calling that test significant. To compute q-values, it is necessary to know the p-value produced by a test and possibly set a false discovery rate level.
PERS:Philippe Rocca-Serra
FDR adjusted p-value
Adapted from several sources, including http://.en/wikipedia.org/wiki/False_discovery_rate http://svitsrv25.epfl.ch/R-doc/library/qvalue.html
The rate of disassociation of a peptide from a complex with an MHC molecule measured by the ratio of bound and unbound peptide per unit of time.
A scalar measurement datum that represents the number of events occuring over a time interval
selection criterion
rats should be aged between 6 and 8 weeks and weight between 180-250grams
A directive information entity which defines and states a principle of standard by which selection process may take place.
Person: Philippe Rocca-Serra
selection rule
OBI discussion summarized under the following tracker item : http://sourceforge.net/p/obi/obi-terms/678/
Concluding that the length of the hypotenuse is equal to the square root of the sum of squares of the other two sides in a right-triangle. Concluding that a gene is upregulated in a tissue sample based on the band intensity in a western blot. Concluding that a patient has a infection based on measurement of an elevated body temperature and reported headache. Concluding that there were problems in an investigation because data from PCR and microarray are conflicting.
A planned process in which new information is inferred from existing information.
The conclusion that a gene is upregulated in a tissue sample based on the band intensity in a western blot. The conclusion that a patient has a infection based on measurement of an elevated body temperature and reported headache. The conclusion that there were problems in an investigation because data from PCR and microarray are conflicting. The following are NOT conclusions based on data: data themselves; results from pure mathematics, e.g. "13 is prime".
An information content entity that is inferred from data.
In the Philly 2013 workshop, we recognized the limitations of "conclusion textual entity", and we introduced this as more general. The need for the 'textual entity' term going forward is up for future debate.
A processed material that serves as a liquid vehicle for freezing cells for long term quiescent stroage, which contains chemicls needed to sustain cell viability across freeze-thaw cycles.
cell freezing medium
A value specification that is specifies one category out of a fixed number of nominal categories
A value specification that consists of two parts: a numeral and a unit label
The value of 'positive' in a classification scheme of "positive or negative"; the value of '20g' on the quantitative scale of mass.
An information content entity that specifies a value within a classification scheme or on a quantitative scale.
This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement.
animal
fungus
plant
virus
A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs.
10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms')
13-02-2009: OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. This issue is outside the scope of OBI.
WEB: http://en.wikipedia.org/wiki/Organism
specimen
Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen.
A material entity that has the specimen role.
GROUP: OBI Biomaterial Branch
A cultured cell population applied in an experiment: "293 cells expressing TrkA were serum-starved for 18 hours and then neurotrophins were added for 10 min before cell harvest." (Lee, Ramee, et al. "Regulation of cell survival by secreted proneurotrophins." Science 294.5548 (2001): 1945-1948). A cultured cell population maintained in vitro: "Rat cortical neurons from 15 day embryos are grown in dissociated cell culture and maintained in vitro for 8–12 weeks" (Dichter, Marc A. "Rat cortical neurons in cell culture: culture methods, cell morphology, electrophysiology, and synapse formation." Brain Research 149.2 (1978): 279-293).
A processed material comprised of a collection of cultured cells that has been continuously maintained together in culture and shares a common propagation history.
2013-6-5 MHB: This OBI class was formerly called 'cell culture', but label changed and definition updated following CLO alignment efforts in spring 2013, during which the intent of this class was clarified to refer to portions of a culture or line rather than a complete cell culture or line.
The extent of a 'cultured cell population' is restricted only in that all cell members must share a propagation history (ie be derived through a common lineage of passages from an initial culture). In being defined in this way, this class can be used to refer to the populations that researchers actually use in the practice of science - ie are the inputs to culturing, experimentation, and sharing. The cells in such populations will be a relatively uniform population as they have experienced similar selective pressures due to their continuous co-propagation. And this population will also have a single passage number, again owing to their common passaging history. Cultured cell populations represent only a collection of cells (ie do not include media, culture dishes, etc), and include populations of cultured unicellular organisms or cultured multicellular organism cells. They can exist under active culture, stored in a quiescent state for future use, or applied experimentally.
data transformation
The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value.
A planned process that produces output data from input data.
Elisabetta Manduchi
Helen Parkinson
Melanie Courtot
Richard Scheuermann
Ryan Brinkman
Tina Hernandez-Boussard
data analysis
data processing
Branch editors
Benjamini and Hochberg false discovery rate correction method
Statistical significance of the 8 most represented biological processes (GO level 4) among E7 6 month upregulated genes following analysis with DAVID software; Benjamini-Hochberg FDR (false discovery rate)
A data transformation process in which the Benjamini and Hochberg method sequential p-value procedure is applied with the aim of correcting false discovery rate
2011-03-31: [PRS]. specified input and output of dt which were missing
Benjamini and Yekutieli false discovery rate correction method
The expression set was compared univariately between the stroke patients and controls, gene list was generated using False Discovery Rate correction (Benjamini and Yekutieli)
A data transformation in which the Benjamini and Yekutieli method is applied with the aim of correcting false discovery rate
A multiple testing correction method is a hypothesis test performed simultaneously on M > 1 hypotheses. Multiple testing procedures produce a set of rejected hypotheses that is an estimate for the set of false null hypotheses while controlling for a suitably define Type I error rate
multiple testing procedure
PAPER: Dudoit, Sandrine and van der Laan, Mark J. (2008) Multiple Testing Procedures with Applications to Genomics. New York: Springer , p. 9-10.
multiple testing correction method
logarithmic transformation
A logarithmic transformation is a data transformation consisting in the application of the logarithm function with a given base a (where a>0 and a is not equal to 1) to a (one dimensional) positive real number input. The logarithm function with base a can be defined as the inverse of the exponential function with the same base. See e.g. http://en.wikipedia.org/wiki/Logarithm.
WEB: http://en.wikipedia.org/wiki/Logarithm
regression analysis method
Regression analysis is a descriptive statistics technique that examines the relation of a dependent variable (response variable) to specified independent variables (explanatory variables). Regression analysis can be used as a descriptive method of data analysis (such as curve fitting) without relying on any assumptions about underlying processes generating the data.
BOOK: Richard A. Berk, Regression Analysis: A Constructive Critique, Sage Publications (2004) 978-0761929048
Generation of a heatmap from a microarray dataset
An planned process that creates images, diagrams or animations from the input data.
Tina Boussard
visualization
PERSON: Elisabetta Manduchi
PERSON: James Malone
PERSON: Tina Boussard
Possible future hierarchy might include this: information_encoding >data_encoding >>image_encoding
data visualization
false discovery rate correction method
The false discovery rate is a data transformation used in multiple hypothesis testing to correct for multiple comparisons. It controls the expected proportion of incorrectly rejected null hypotheses (type I errors) in a list of rejected hypotheses. It is a less conservative comparison procedure with greater power than familywise error rate (FWER) control, at a cost of increasing the likelihood of obtaining type I errors. .
2011-03-31: [PRS]. creating a defined class by specifying the necessary output of dt allows correct classification of FDR dt
FDR correction method
Dudoit, Sandrine and van der Laan, Mark J. (2008) Multiple Testing Procedures with Applications to Genomics. New York: Springer , p. 21 and http://www.wikidoc.org/index.php/False_discovery_rate
data transformation objective
normalize objective
An objective specification to transformation input data into output data
Modified definition in 2013 Philly OBI workshop
data normalization objective
Quantile transformation which has normalization objective can be used for expression microarray assay normalization and it is referred to as "quantile normalization", according to the procedure described e.g. in PMID 12538238.
A normalization objective is a data transformation objective where the aim is to remove systematic sources of variation to put the data on equal footing in order to create a common base for comparisons.
correction objective
Type I error correction
A correction objective is a data transformation objective where the aim is to correct for error, noise or other impairments to the input of the data transformation or derived from the data transformation itself
normalization data transformation
A normalization data transformation is a data transformation that has objective normalization.
averaging data transformation
An averaging data transformation is a data transformation that has objective averaging.
center calculation objective
A mean calculation which has center calculation objective is a data transformation in which the center of the input data is discovered through the calculation of a mean average.
A center calculation objective is a data transformation objective where the aim is to calculate the center of an input data set.
center calculation data transformation
A center calculation data transformation is a data transformation that has objective of center calculation.
error correction objective
Application of a multiple testing correction method
An error correction objective is a data transformation objective where the aim is to remove (correct for) erroneous contributions arising from the input data, or the transformation itself.
James Malone, Helen Parkinson
observation design
PMID: 12387964.Lancet. 2002 Oct 12;360(9340):1144-9.Deficiency of antibacterial peptides in patients with morbus Kostmann: an observation study.
observation design is a study design in which subjects are monitored in the absence of any active intervention by experimentalists.
nucleic acid extraction using phenol chloroform
A material separation in which a desired component of an input material is separated from the remainder
Current the output of material processing defined as the molecular entity, main component in the output material entity, rather than the material entity that have grain molecular entity. 'nucleic acid extract' is the output of 'nucleic acid extraction' and has grain 'nucleic acid'. However, the output of 'nucleic acid extraction' is 'nucleic acid' rather than 'nucleic acid extract'. We are aware of this issue and will work it out in the future.
extraction
PMID: 18349405. Randomization reveals unexpected acute leukemias in Southwest Oncology Group prostate cancer trial. J Clin Oncol. 2008 Mar 20;26(9):1532-6.
A group assignment which relies on chance to assign materials to a group of materials in order to avoid bias in experimental set up.
adapted from wikipedia [http://en.wikipedia.org/wiki/Randomization]
group randomization
study design
a matched pairs study design describes criteria by which subjects are identified as pairs which then undergo the same protocols, and the data generated is analyzed by comparing the differences between the paired subjects, which constitute the results of the executed study design.
A plan specification comprised of protocols (which may specify how and what kinds of data will be gathered) that are executed as part of an investigation and is realized during a study design execution.
Editor note: there is at least an implicit restriction on the kind of data transformations that can be done based on the measured data available.
experimental design
rediscussed at length (MC/JF/BP). 12/9/08). The definition was clarified to differentiate it from protocol.
repeated measure design
PMID: 10959922.J Biopharm Stat. 2000 Aug;10(3):433-45.Equivalence in test assay method comparisons for the repeated-measure, matched-pair design in medical device studies: statistical considerations.
a study design which use the same individuals and exposure them to a set of conditions. The effect of order and practice can be confounding factor in such designs
cross over design
PMID: 17601993-Objective: HIV-infected patients with lipodystrophy (HIV-lipodystrophy) are insulin resistant and have elevated plasma free fatty acid (FFA) concentrations. We aimed to explore the mechanisms underlying FFA-induced insulin resistance in patients with HIV-lipodystrophy. Research Design and Methods: Using a randomized placebo-controlled cross-over design, we studied the effects of an overnight acipimox-induced suppression of FFA on glucose and FFA metabolism by using stable isotope labelled tracer techniques during basal conditions and a two-stage euglycemic, hyperinsulinemic clamp (20 mU insulin/m(2)/min; 50 mU insulin/m(2)/min) in nine patients with nondiabetic HIV-lipodystrophy. All patients received antiretroviral therapy. Biopsies from the vastus lateralis muscle were obtained during each stage of the clamp. Results: Acipimox treatment reduced basal FFA rate of appearance by 68.9% (52.6%-79.5%) and decreased plasma FFA concentration by 51.6 % (42.0%-58.9%), (both, P < 0.0001). Endogenous glucose production was not influenced by acipimox. During the clamp the increase in glucose-uptake was significantly greater after acipimox treatment compared to placebo (acipimox: 26.85 (18.09-39.86) vs placebo: 20.30 (13.67-30.13) mumol/kg/min; P < 0.01). Insulin increased phosphorylation of Akt (Thr(308)) and GSK-3beta (Ser(9)), decreased phosphorylation of glycogen synthase (GS) site 3a+b and increased GS-activity (I-form) in skeletal muscle (P < 0.01). Acipimox decreased phosphorylation of GS (site 3a+b) (P < 0.02) and increased GS-activity (P < 0.01) in muscle. Conclusion: The present study provides direct evidence that suppression of lipolysis in patients with HIV-lipodystrophy improves insulin-stimulated peripheral glucose-uptake. The increased glucose-uptake may in part be explained by increased dephosphorylation of GS (site 3a+b) resulting in increased GS activity.
a repeated measure design which ensures that experimental units receive, in sequence, the treatment (or the control), and then, after a specified time interval (aka *wash-out periods*), switch to the control (or treatment). In this design, subjects (patients in human context) serve as their own controls, and randomization may be used to determine the ordering which a subject receives the treatment and control
(source: http://www.sbu.se/Filer/Content0/publikationer/1/literaturesearching_1993/glossary.html)
time series design
PMID: 14744830-Microarrays are powerful tools for surveying the expression levels of many thousands of genes simultaneously. They belong to the new genomics technologies which have important applications in the biological, agricultural and pharmaceutical sciences. There are myriad sources of uncertainty in microarray experiments, and rigorous experimental design is essential for fully realizing the potential of these valuable resources. Two questions frequently asked by biologists on the brink of conducting cDNA or two-colour, spotted microarray experiments are 'Which mRNA samples should be competitively hybridized together on the same slide?' and 'How many times should each slide be replicated?' Early experience has shown that whilst the field of classical experimental design has much to offer this emerging multi-disciplinary area, new approaches which accommodate features specific to the microarray context are needed. In this paper, we propose optimal designs for factorial and time course experiments, which are special designs arising quite frequently in microarray experimentation. Our criterion for optimality is statistical efficiency based on a new notion of admissible designs; our approach enables efficient designs to be selected subject to the information available on the effects of most interest to biologists, the number of arrays available for the experiment, and other resource or practical constraints, including limitations on the amount of mRNA probe. We show that our designs are superior to both the popular reference designs, which are highly inefficient, and to designs incorporating all possible direct pairwise comparisons. Moreover, our proposed designs represent a substantial practical improvement over classical experimental designs which work in terms of standard interactions and main effects. The latter do not provide a basis for meaningful inference on the effects of most interest to biologists, nor make the most efficient use of valuable and limited resources.
Groups of assays that are related as part of a time series.
Philippe Rocca-Serra on behalf of MO
MO_887
material component separation
Using a cell sorter to separate a mixture of T cells into two fractions; one with surface receptor CD8 and the other lacking the receptor, or purification
a material processing in which components of an input material become segregated in space
IEDB
group assignment
Assigning' to be treated with active ingredient role' to an organism during group assignment. The group is those organisms that have the same role in the context of an investigation
group assignment is a process which has an organism as specified input and during which a role is assigned
OBI Plan
maintaining cell culture
When harvesting blood from a human, isolating T cells, and then limited dilution cloning of the cells, the maintaining_cell_culture step comprises all steps after the initial dilution and plating of the cells into culture, e.g. placing the culture into an incubator, changing or adding media, and splitting a cell culture
a protocol application in which cells are kept alive in a defined environment outside of an organism. part of cell_culturing
a process through which a new type of cell culture or cell line is created, either through the isolation and culture of one or more cells from a fresh source, or the deliberate experimental modification of an existing cell culture (e.g passaging a primary culture to become a secondary culture or line, or the immortalization or stable genetic modification of an existing culture or line).
A 'cell culture' as used here referes to a new lineage of cells in culture deriving from a single biological source.. New cultures are established through the initial isolation and culturing of cells from an organismal source, or through changes in an existing cell culture or line that result in a new culture with unique characteristics. This can occur through the passaging/selection of a primary culture into a secondary culture or line, or experimental modifications of an existing cell culture or line such as an immortalization process or other stable genetic modification. This class covers establishment of cultures of either multicellular organism cells or unicellular organisms.
A (combination of) quality(ies) of an organism determined by the interaction of its genetic make-up and environment that differentiates specific instances of a species from other instances of the same species.
A physical quality that inheres in a bearer by virtue of the proportion of the bearer's amount of matter.
An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA.
molecular label role
a reagent role inhering in a molecular entity intended to associate with some molecular target to serve as a proxy for the presence, abundance, or location of this target in a detection of molecular label assay.
MHB (9-29-13): 'molecular label role' imported from the Reagent Ontology and replaced OBI:OBI_0000140 (label role)
A sequence_feature with an extent greater than zero. A nucleotide region is composed of bases and a polypeptide region is composed of amino acids.
primary structure of sequence macromolecule
A unit which is a standard measure of the distance between two points.
A unit which is a standard measure of the amount of matter/energy of a physical object.
A unit which is a standard measure of the dimension in which events occur in sequence.
A mass unit which is equal to the mass of the International Prototype Kilogram kept by the BIPM at Svres, France.
A time unit which is equal to the duration of 9 192 631 770 periods of the radiation corresponding to the transition between the two hyperfine levels of the ground state of the caesium 133 atom.
A thermodynamic temperature unit which is equal to the fraction 1/273.16 of the thermodynamic temperature of the triple point of water.
A mass unit which is equal to one thousandth of a kilogram or 10^[-3] kg.
A mass unit which is equal to one thousandth of a gram or 10^[-3] g.
A mass unit which is equal to one millionth of a gram or 10^[-6] g.
A temperature unit which is equal to one kelvin degree. However, they have their zeros at different points. The centigrade scale has its zero at 273.15 K.
A time unit which is equal to 60 seconds.
A time unit which is equal to 12 months which is science is taken to be equal to 365.25 days.
A unit of molarity which is equal to one thousandth of a molar or 10^[-3] M.
A unit of molarity which is equal to one millionth of a molar or 10^[-6] M.
A volume unit which is equal to one thousandth of a liter or 10^[-3] L, or to 1 cubic centimeter.
A volume unit which is equal to one millionth of a liter or 10^[-6] L.
A mass unit density which is equal to mass of an object in milligrams divided by the volume in milliliters.
A dimensionless ratio unit which denotes numbers as fractions of 100.
A magnetic flux density unit which is equal to one weber per square meter.
A mass unit density which is equal to mass of an object in micrograms divided by the volume in millliters.
A frequency unit which is equal to one million hertz or 10^[6] V.
A category denoting a rather broad domain or field of interest, study, application, work, data, or technology. Topics have no clearly defined borders between each other.
metabolism quenching by snap freeing in liquid nitrogen is a kind biochemical reaction extinction process which relies on extremely low temperature afforded by nitrogen in liquid state to denature enzymatic machinery of live cells or live tissue and inactivate it.
metabolism quenching by snap freezing in liquid nitrogen
a normalization process which relies on the computing to arithmetic mean signal intensity over all measurements (controls and samples) and then for each sample measurements, adjusting the signal with the mean (by substracting the mean, allowing to retain measurement unit, which is not the case with dividing with the mean). The arithmetic mean is used as reference to which sample signals are then compared.
normalization to the mean
import from PATO
example to be eventually removed
The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job
failed exploratory term
Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete.
metadata complete
term created to ease viewing/sort terms for development purpose, and will not be included in a release
organizational term
Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release."
ready for release
Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors.
metadata incomplete
Nothing done yet beyond assigning a unique class ID and proposing a preferred term.
uncurated
All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor.
pending final vetting
Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes.
core
placeholder removed
An editor note should explain what were the merged terms and the reason for the merge.
terms merged
This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use.
term imported
This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created.
term split
This is to be used if none of the existing instances cover the reason for obsolescence. An editor note should indicate this new reason.
We expect to be able to mine these new reasons and add instances as required.
other
Hard to give a definition for. Intuitively a "natural kind" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents.
A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf
A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal
"definitions", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal.
A named class expression is a logical expression that is given a name. The name can be used in place of the expression.
named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions
Terms with this status should eventually replaced with a term from another ontology.
to be replaced with external ontology term
A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues.
requires discussion
Biocrates Life Sciences AG, a biotechnology company, develops and markets targeted metabolic phenotyping solutions that support the discovery and validation of biomarkers for complex multifactorial diseases in pre-clinical and clinical research. The company offers mass-spectrometry based reproducible and quantitative kits and services that analyze various endogenous metabolites; and tools for insight into pathways and metabolic signatures of diseases, such as cancer or neurodegenerative diseases. It also offers metabolic phenotyping, and biomarker discovery and development services.
Biocrates Life Sciences AG
Biocrates AG
Agilent Technologies is an American public research, development and manufacturing company established in 1999 as a spin-off from Hewlett-Packard. The resulting IPO of Agilent stock was the largest in the history of Silicon Valley at the time. The company provides analytical instruments, software, services and consumables for the entire laboratory workflow.
Agilent
Agilent Technologies
Bruker Corporation is a manufacturer of scientific instruments for molecular and materials research, as well as for industrial and applied analysis. It is headquartered in Billerica, Massachusetts and is the publicly traded parent company of Bruker Scientific Instruments (Bruker AXS, Bruker BioSpin, Bruker Daltonics and Bruker Optics) and Bruker Energy & Supercon Technologies (BEST) divisions.
Bruker
Bruker Corporation
Bruker AG
Thermo Fisher Scientific is an American multinational biotechnology product development company, created in 2006 by the merger of Thermo Electron and Fisher Scientific.
Thermo Fisher Scientific
## Elucidation This is used when the statement/axiom is assumed to hold true 'eternally' ## How to interpret (informal) First the "atemporal" FOL is derived from the OWL using the standard interpretation. This axiom is temporalized by embedding the axiom within a for-all-times quantified sentence. The t argument is added to all instantiation predicates and predicates that use this relation. ## Example Class: nucleus SubClassOf: part_of some cell forall t : forall n : instance_of(n,Nucleus,t) implies exists c : instance_of(c,Cell,t) part_of(n,c,t) ## Notes This interpretation is *not* the same as an at-all-times relation
axiom holds for all times
Advisors for this project come from the IFOMIS group, Saarbruecken and from the Co-ODE group in Manchester
Allyson Lister
Barry Smith
Bill Bug
Carlo Torniai
Chris Mungall
Chris Stoeckert
Chris Taylor
Christian Bolling
Cristian Cocos
Daniel Rubin
Daniel Schober
Dawn Field
Dirk Derom
Eric Deutsch
Frank Gibson
Gilberto Fragoso
Helen C. Causton
Holger Stenzhorn
James A. Overton
Jay Greenbaum
Jeffrey Grethe
Jessica Turner
Jie Zheng
Joe White
John Westbrook
Kevin Clancy
Larisa Soldatova
Lawrence Hunter
Liju Fan
Luisa Montecchi
Matthew Brush
Matthew Pocock
Melissa Haendel
Mervi Heiskanen
Monnie McGee
Norman Morrison
Philip Lord
Pierre Grenon
Richard Bruskiewich
Robert Stevens
Ryan R. Brinkman
Stefan Wiemann
Susanna-Assunta Sansone
Tanya Gray
Trish Whetzel
Yongqun He
The Ontology for Biomedical Investigations (OBI) is build in a collaborative, international effort and will serve as a resource for annotating biomedical investigations, including the study design, protocols and instrumentation used, the data generated and the types of analysis performed on the data. This ontology arose from the Functional Genomics Investigation Ontology (FuGO) and will contain both terms that are common to all biomedical investigations, including functional genomics investigations and those that are more domain specific.
OWL-DL
An ontology for the annotation of biomedical and functional genomics experiments.
Ontology for Biomedical Investigation
Please cite the OBI consortium http://purl.obolibrary.org/obo/obi where traditional citation is called for. However it is adequate that individual terms be attributed simply by use of the identifying PURL for the term, in projects that refer to them.
To say that each spatiotemporal region s temporally_projects_onto some temporal region t is to say that t is the temporal extension of s. (axiom label in BFO2 Reference: [080-003])
To say that spatiotemporal region s spatially_projects_onto spatial region r at t is to say that r is the spatial extent of s at t. (axiom label in BFO2 Reference: [081-003])