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Comparative study of folate cofactor models
Author(s) -
Kang Congmin,
Feng Dacheng,
Qi Chuansong,
Zhao Weian,
Cai Zhengting
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10083
Subject(s) - chemistry , cofactor , reactivity (psychology) , acceptor , electronic structure , carbon atom , computational chemistry , carbon fibers , nitrogen atom , group (periodic table) , ring (chemistry) , organic chemistry , materials science , physics , quantum mechanics , composite number , enzyme , medicine , alternative medicine , pathology , composite material
The structures of a type of tetrahydrofolate cofactor models, asymmetric substituted imidazolinium, have been studied theoretically, and the relation of reactivities to the electronic structures of these compounds has been analyzed. It is found that the reactivity of one‐carbon unit transfer of this type of tetrahydrofolate cofactor models has a tight relation to properties of the two nitrogen atoms that link to the transferring carbon atom. The followed regularity is obtained. With the group on the para ‐position of benzenesulfonyl changing from an electronic acceptor to an electronic donor, the difference between N3 and N6 is smaller step by step, and the model becomes more active to transfer one‐carbon unit gradually. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001