摘要：The formation ratios of reduction metabolites formed by R. glutinis and rat liver homogenate from 2, 3-, 2, 4-, 3, 4- and 2, 5-dinitrotoluene (DNT) were investigated. The reduction metabolites formed by both systems consisted of two kinds of monoaminonitrotoluenes and hydroxylaminonitrotoluenes from each substrate. The relation of major and minor products in the microbial system paralleled that in the mammalian system in vitro. The usefulness of the microbial system for metabolic and toxicological studies of DNTs is discussed. In addition, the formation ratios of the two monoamino compounds formed by both species were consistent with theoretical reactivity indices calculated by the molecular orbital method, suggesting that quantum chemical methods may be applicable to studies of the enzymatic reduction reactivities of DNTs.
关键词：dinitrotoluene;aromatic nitro compound;NADPH;Rhodotorula glutinis;metabolic activation;molecular orbital method;reactivity index
