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烷基吡嗪气味模式的定量构效关系(QSAR)研究

A quantitative structure-activity relationship (QSAR) study of alkylpyrazine odor modalities.

作者信息

Tsantili-Kakoulidou A, Kier L B

机构信息

Department of Pharmacy, University of Athens, Greece.

出版信息

Pharm Res. 1992 Oct;9(10):1321-3. doi: 10.1023/a:1015865603263.

DOI:10.1023/a:1015865603263
PMID:1448432
Abstract

The odor strength of a series of alkylpyrazines has been quantitatively investigated applying molecular connectivity, molecular shape, and the recently developed electrotopological state indices. The successful use of the latter parameters indicates that both electronic and topological features contribute to the odor strength of the compounds under study, while the specific role of the two nitrogen atoms is revealed.

摘要

应用分子连接性、分子形状和最近开发的电子拓扑状态指数,对一系列烷基吡嗪的气味强度进行了定量研究。后一种参数的成功应用表明,电子和拓扑特征都对所研究化合物的气味强度有贡献,同时揭示了两个氮原子的具体作用。

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本文引用的文献

1
Specific anosmia: a clue to the olfactory code.
Nature. 1967 Jun 10;214(5093):1095-8. doi: 10.1038/2141095a0.
2
Odor quality and chemical structure in fruit and vegetable flavors.水果和蔬菜风味中的气味品质与化学结构。
Ann N Y Acad Sci. 1974 Sep 27;237(0):209-16. doi: 10.1111/j.1749-6632.1974.tb49855.x.
3
An electrotopological-state index for atoms in molecules.分子中原子的电子拓扑状态指数。
Pharm Res. 1990 Aug;7(8):801-7. doi: 10.1023/a:1015952613760.