Slot: part_of

A slot to specify a related resource in which the described resource is physically or logically included.

Applicable Classes

Name	Description	Modifies Slot
Precursor	A MaterialSample that serves as input material in a catalyst Synthesis. Precursors are consumed or transformed during the preparation process.	no
CSTR	Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow reactor operating at steady state.	no
DataAnalysis	An Activity that evaluates the data produced by another Activity.	no
Reagent	A ChemicalSubstance that is consumed or transformed in a ChemicalReaction.	no
DissolvingSubstance	A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance.	no
EvaluatedEntity	An Entity that is being evaluated in a DataGeneratingActivity.	no
Catalyst	A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected.	no
AnalysisSourceData	Information that was evaluated within a DataAnalysis.	no
SubstanceSampleCharacterization	A DataGeneratingActivity that produces data about a SubstanceSample, such as a spectroscopic measurement, a physical property determination, or a combined measurement-and-analysis workflow. This is a coarse-grained convenience shape that does not distinguish between raw data acquisition and subsequent data processing or analysis. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw measurement from derived results.	no
Simulation	A DataGeneratingActivity in which a catalyst, catalytic material, or catalytic process is modelled computationally. The simulation software is linked via carried_out_by as a Software agent. The simulation method (protocol) is linked via realized_plan using a SimulationMethod instance. The catalyst model or reaction being simulated is linked via evaluated_entity or evaluated_activity. The specific simulation type is expressed via rdf_type (e.g. coremeta4cat:DFT, NCIT:C18097 for molecular dynamics), following DCAT-AP-PLUS Pattern 3.	no
Activity	See DCAT-AP specs:Activity	yes
ChemicalReactor	Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor vessel. Reactor is more specific than the general Device (AgenticEntity): it restricts the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated reactor equipment. This semantic distinction separates analytical instruments (Device) from reaction vessels (Reactor). ChemicalReactor further specializes chemdcat-ap's generic Reactor for catalysis use cases. Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify reactor geometry and operating mode. Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).	no
Entity	A physical, digital, conceptual, or other kind of thing with some fixed aspects; entities may be real or imaginary.	yes
Microreactor	Microreactor — a miniaturised flow reactor with characteristic dimensions in the sub-millimetre range, enabling precise thermal control and rapid screening.	no
Atom	An Entity constituting the smallest component of a chemical element having the chemical properties of the element.	no
PlugFlowReactor	Plug flow reactor (PFR) — a tubular reactor in which reactant composition varies along the axis with no axial mixing.	no
PolymerSample	A SubstanceSample derived from a Polymer.	no
Synthesis	A DataGeneratingActivity in which a catalyst is prepared. The preparation protocol is linked via realized_plan using a PreparationMethod instance. Input materials (Precursors) are linked via had_input_entity. The resulting catalyst (CatalystSample) is linked via had_output_entity. The type of synthesis is further specified via rdf_type using an ontology term (e.g. a VOC4CAT preparation method term), following DCAT-AP-PLUS Pattern 3.	no
Characterization	A DataGeneratingActivity in which a catalyst sample or catalytic material is characterized using an analytical technique. The catalyst sample being characterized is linked via evaluated_entity. The analytical protocol is linked via realized_plan using a CharacterizationTechnique instance. The instrument used is linked via carried_out_by as a Device. The specific technique type is expressed via rdf_type using an ontology term (e.g. CHMO:0000158 for powder XRD, CHMO:0000404 for XPS), following DCAT-AP-PLUS Pattern 3 — exactly as NMRSpectroscopy uses rdf_type: CHMO:0000613.	no
Reactor	A reactor is a container for controlling a biological or chemical reaction or process.	no
ChemicalProduct	A chemical substance that is produced by a ChemicalReaction.	no
CatalysisDataGeneratingActivity	A CoreMeta4Cat specialization of DCAT-AP-PLUS's DataGeneratingActivity that adds a type designator (activity_designator). Synthesis, Characterization, and Simulation all specialize this class instead of DataGeneratingActivity directly, so that when one of them is nested inside CatalysisDataset.was_generated_by, the LinkML Python loader can tell which concrete subclass a given entry is meant to be and keep its subclass-specific fields (e.g. Characterization.realized_plan) rather than falling back to DataGeneratingActivity's own generic slot definitions. activity_designator is filled in automatically by LinkML when a class is instantiated directly (e.g. loading a standalone Synthesis-NNN.yaml file) -- it does not need to be set by hand there. It only needs to be set explicitly in the source data when a Synthesis/Characterization/ Simulation instance is nested inside another object's was_generated_by list (e.g. in a combined CatalysisDataset file), so the loader knows which of the three to construct.	no
SlurryReactor	Slurry reactor — a three-phase reactor in which catalyst particles are suspended in a liquid phase through which gas is bubbled.	no
MaterialEntity	A material is an Entity that has some portion of matter as proper part.	no
ChemicalEntity	Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.	no
CatalyticReaction	A ChemicalReaction (chemdcat-ap) specialization representing the catalytic reaction being studied. Inherits the generic reaction slots (starting materials, reactants, products, catalyst, solvent, reactor, temperature, pressure, yield, reaction steps) from ChemicalReaction and adds catalysis-specific operating-condition slots. Reaction is NOT a DataGeneratingActivity — it is the catalytic process being observed, not the process that generates the dataset. A CatalysisDataset is linked to the Reaction it is about via is_about_activity. For operando experiments (e.g. in-situ XRD during a reaction), the dataset carries both: was_generated_by: Characterization (the measurement producing data) is_about_activity: Reaction (the catalytic process being monitored) The reactor is linked via the inherited used_reactor slot (is_a: carried_out_by), narrowed here to require a ChemicalReactor instance rather than touching the generic carried_out_by relation directly. Reactants are linked via the inherited used_reactant slot (range: Reagent) -- CatalyticReaction does not declare its own reactant slot. The type of catalytic reaction (e.g. ammonia synthesis, CO oxidation) is expressed via rdf_type using a voc4cat or ChemO term.	no
StartingMaterial	A ChemicalSubstance with that has a starting material role in a synthesis.	no
Autoclave	Autoclave reactor — a sealed pressure vessel for batch reactions at elevated temperature and/or pressure.	no
DataGeneratingActivity	An Activity (process) that has the objective to produce information (in form of a dataset) about another Activity or Entity.	no
ChemicalReaction	A process that leads to the transformation of one set of chemical substances to another and that is the subject matter of a DataGeneratingActivity.	no
Software	An instrument composed of a series of instructions that can be interpreted by or directly executed by a computer.	no
EvaluatedActivity	An activity or process that is being evaluated in a DataGeneratingActivity.	no
SubstanceSample	A MaterialSample derived from a chemical substance that is of interest in an analytical procedure.	no
MaterialSample	A Sample that was derived from a previous MaterialSample or some other kind of MaterialEntity.	no
FluidizedBedReactor	Fluidized bed reactor — a reactor in which the catalyst particles are suspended in an upward-flowing gas or liquid stream.	no
ReactionMonitoring	A DataGeneratingActivity that produces data about a ChemicalReaction, such as reaction monitoring, experimental documentation, or a combined recording-and-evaluation workflow. This is a coarse-grained convenience shape that does not distinguish between raw experimental recording and subsequent data evaluation. Domain-specific sub-profiles that need this distinction should define their own DataGeneratingActivity subclasses and use the DCAT-AP+ DataAnalysis chain to separate raw data from derived results.	no
AgenticEntity	An entity that is somehow responsible for an Activity to take place.	yes
ElectrochemicalReactor	Electrochemical reactor used in electrocatalytic experiments, including H-cells, flow cells, and membrane electrode assemblies.	no
Device	A material instrument that is designed to perform a function primarily by means of its mechanical or electrical nature.	no
FixedBedReactor	Fixed bed reactor — a tubular reactor packed with a stationary catalyst bed. The most common reactor type in heterogeneous catalysis testing.	no
CatalystSample	A MaterialSample that is the product of a catalyst Synthesis. The specific type of catalyst (e.g. heterogeneous, supported metal) is expressed via rdf_type using a VOC4CAT term.	no

Properties

Range: String

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	dcterms:isPartOf
native	coremeta4cat:part_of

LinkML Source

name: part_of
description: A slot to specify a related resource in which the described resource
  is physically or logically included.
in_subset:
- domain_agnostic_core
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: dcterms:isPartOf
alias: part_of
domain_of:
- Activity
- AgenticEntity
- Entity
inverse: has_part
range: string