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An atom, other than carbon, located in the ring structure of an organic compound, as the N in pyridines or pyrimidines (heterocyclic compounds).
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Figure 2 depicts the heteroatom class and type distribution of LSO and SLTCT derived from a negative-ion ESI FT-ICR MS spectrum.
In CoMSIA an electronegativity favorable red contour surrounds the phenyl moiety, indicating that a heteroatom with a partial negative charge wouldhaveapositive effectoninhibitory activity.
Quantum chemical calculations revealed that adsorption of caffeine is mainly concentrated around the heteroatoms (oxygen and nitrogen atoms) in the molecule.
Mane, "Microwave-assisted synthesis of some 2,4-thiazolidinedione derivatives," Heteroatom Chemistry, vol.
She currently serves as a member the NSERC Discovery Grant Selection Committee for Inorganic and Organic Chemistry and is a member of the international advisory boards for the International Conference on the Coordination and Organometallic Chemistry of Ge, Sn and Pb, the International Symposium on Organosilicon Chemistry and the International Conference on Heteroatom Chemistry.
sup.n-, where B is a heteroatom selected from P, Si, Ce, Mn or Co, and M is again selected from Mo, V, W or combinations thereof.
The [Alpha] heteroatom (Y) substitution is believed to involve a mixing of the molecular orbitals of C - Y bond ([[Sigma].sup.X]) and the carbonyl group ([[Pi].sup.*]).
The problem that occurs is that the major constituents of all of these new materials are hydrocarbon or heteroatom based.
It has been found that polymers with main chain containing aryl units connected by flexible heteroatom linkages are quite ductile in their amorphous glassy state (15).
The heteroatom substituted piperazines are important pharmacophores across a number of different therapeutic areas [11] and have several biological activity such as antifungal [12], antibacterial, antipsychotic [13], anti-HIV protease and antidepressant.
Their inhibiting action can be deduced based on the number of available electron pairs, pi-orbital behaviour of available electrons and the electron density around the heteroatom [11-16].