| Row |
Level |
Rule Name |
Subject |
Property |
Value |
| 0 |
ERROR |
multiple_definitions |
PROCO:0000226 |
IAO:0000115 |
Kinetic techniques utilized to determine the rate laws of chemical reactions and to aid in elucidation of reaction mechanisms. While the concepts guiding reaction progress kinetic analysis are not new, the process was formalized by Professor Donna Blackmond (currently at Scripps Research Institute) in the late 1990s and has since seen increasingly widespread use. Unlike more common pseudo-first-order analysis, in which an overwhelming excess of one or more reagents is used relative to a species of interest, RPKA probes reactions at synthetically relevant conditions (i.e. with concentrations and reagent ratios resembling those used in the reaction when not exploring the rate law.) Generally, this analysis involves a system in which the concentrations of multiple reactants are changing measurably over the course of the reaction. As the mechanism can vary depending on the relative and absolute concentrations of the species involved, this approach obtains results that are much more representative of reaction behavior under commonly utilized conditions than do traditional tactics. Furthermore, information obtained by observation of the reaction over time may provide insight regarding unexpected behavior such as induction periods, catalyst deactivation, or changes in mechanism. |
| 1 |
ERROR |
multiple_definitions |
PROCO:0000226 |
IAO:0000115 |
Mechanistic and kinetic determinations utilized to determine the rate laws of chemical reactions and to aid in elucidation of reaction mechanisms. While the concepts guiding reaction progress kinetic analysis are not new, the process was formalized by Professor Donna Blackmond (currently at Scripps Research Institute) in the late 1990s and has since seen increasingly widespread use. Unlike more common pseudo-first-order analysis, in which an overwhelming excess of one or more reagents is used relative to a species of interest, RPKA probes reactions at synthetically relevant conditions (i.e. with concentrations and reagent ratios resembling those used in the reaction when not exploring the rate law.) Generally, this analysis involves a system in which the concentrations of multiple reactants are changing measurably over the course of the reaction. As the mechanism can vary depending on the relative and absolute concentrations of the species involved, this approach obtains results that are much more representative of reaction behavior under commonly utilized conditions than do traditional tactics. Furthermore, information obtained by observation of the reaction over time may provide insight regarding unexpected behavior such as induction periods, catalyst deactivation, or changes in mechanism. |
| 2 |
WARN |
equivalent_class_axiom_no_genus |
PROCO:0000029 |
RO:0000087 |
http://purl.allotrope.org/ontologies/role#AFRL_0000420 |
| 3 |
INFO |
lowercase_definition |
PROCO:0000007 |
IAO:0000115 |
is thermodynically preferred at all temperatures |
| 4 |
INFO |
lowercase_definition |
PROCO:0000027 |
IAO:0000115 |
a relationship indicating that the process profile quantitates some aspect of the process (e.g. a quality of a material participant) |
| 5 |
INFO |
lowercase_definition |
PROCO:0000037 |
IAO:0000115 |
a relationship between polymorphs that has a cross-over temperature at which one form becomes more thermodynamically favored than the other. |
| 6 |
INFO |
lowercase_definition |
PROCO:0000038 |
IAO:0000115 |
an object property that represents a relation between a chemical moiety and a physical form that incorporates solvent molecules either in the crystal lattice or by adsorption on the surface or in channels within the particles. |
| 7 |
INFO |
lowercase_definition |
PROCO:0000075 |
IAO:0000115 |
an object property that represents a relation between polymorphs, i.e. different physical forms of the same chemical moiety. |
| 8 |
INFO |
lowercase_definition |
PROCO:0000110 |
IAO:0000115 |
a symmetry quality of a unit cell in three-dimensional space.@en |
| 9 |
INFO |
lowercase_definition |
PROCO:0000111 |
IAO:0000115 |
a geometric symmetry that keeps at least one point fixed@en |
| 10 |
INFO |
lowercase_definition |
PROCO:0000112 |
IAO:0000115 |
a point symmetry that contains a polar axis.@en |
| 11 |
INFO |
lowercase_definition |
PROCO:0000113 |
IAO:0000115 |
a point symmetry in which the original structure can be obtained by reflecting all lattice points through a single point.@en |
| 12 |
INFO |
lowercase_definition |
PROCO:0000114 |
IAO:0000115 |
a point symmetry of a structure that is not identical to any inversion of that structure created by reflecting all of its points through a single point.@en |
| 13 |
INFO |
lowercase_definition |
PROCO:0000115 |
IAO:0000115 |
a non-centrosymmetric point symmetry that cannot be rotated to align with the original structure (chiral).@en |
| 14 |
INFO |
lowercase_definition |
PROCO:0000116 |
IAO:0000115 |
a non-centrosymmetric point symmetry that can be rotated to align with the original structure (achiral).@en |
| 15 |
INFO |
lowercase_definition |
PROCO:0000117 |
IAO:0000115 |
the length of the a-axis of a unit cell@en |
| 16 |
INFO |
lowercase_definition |
PROCO:0000118 |
IAO:0000115 |
the length of the b-axis of a unit cell@en |
| 17 |
INFO |
lowercase_definition |
PROCO:0000119 |
IAO:0000115 |
the length of the c-axis of a unit cell@en |