From these 455 compounds, 219 contain a single spin system and adopt a single isomeric state, 199 compounds consist of more than one spin system in a single (isomeric) state, 24 compounds consist of a single spin system in multiple isomeric states, and 13 compounds consist of multiple states and multiple spin systems (Table S-1).
Similar to H H TOCSY results, metabolites existing in multiple isomeric states and/or multiple spin systems can be identified by the new database with very high accuracy and efficiency.
However, metabolites existing in multiple isomeric states and/or in multiple spin systems, including tyrosine, NADP+, coenzyme A, and adenosine, were almost always correctly identified only by the new database, H(C)-TOCCATA.
Multiple spin exchange leads, according to present understanding, to a variety of magnetically ordered states in solid 3He, depending on pressure and applied magnetic field.
The two possible spin states of an electron are represented by the arrows ↑ and ↓ and are distinguished by the spin magnetic quantum number, ms, which takes the values +1/2 (for the ↑ spin) or −1/2 (for the ↓ spin).
Due to the spin polarization effect, each initial structure was optimized at possible spin states.
Apparently, modest compensatory differences in other features of the low spin or high spin states contribute to the macroscopic Kspin.
The differences in axial ligand energies between CYP isoforms of the low spin states likely contribute to the energetics of substrate-dependent spin state perturbation.
For the most commonly analyzed spin, H (spin /2), this is, in effect, the population difference that exists across addressable spin states and amounts to only 3 spins per million per Tesla (T).
This class has two subclasses based on the distinct spin states displayed by the heme.
