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Topological Coding and Chirality of Molecular Structures of D-and L-Alanines in Higher Dimensional Spaces

CHEN Weichang1, WANG Wenqing2   

  1. 1Department of Biophysics, China Japan Friendship Institute of Medical Sciences, Beijing, 100029; 2Department of Technical Physics, Beijing University, Beijing, 100871
  • Received:1997-12-02 Online:1999-03-20 Published:1999-03-20


陈惟昌1, 王文清2   

  1. 1中日友好临床医学研究所生物物理研究室,北京,100029; 2北京大学技术物理学系,北京,100871

Abstract: Topological properties of higher dimensional spaces are analyzed and a standard graphic method to express such spaces is deduced. An N-dimensional space posesses 2N vertices which can be arranged according to their Hamming distance values. Molecular structures of organic compounds can be embedded into the frame of a higher dimensional space, and a new topological coding system for the molecular structure of organic compounds is then derived. In this coding system, different superscripts are used to denote different kinds of nonhydrogen atoms. The connection pattern of the nonhydrogen atoms are encoded according to their positions and arrangements in the higher dimensional space. This topological coding system is simple, universal, unique and easy to use. Different kinds of stereoisomers and the chirality of the organic compounds can be distinguished in this coding system. The chirality of L-type and D-type amino acids and their relationship to the topological coding system is particularly analyzed.

Key words: molecular structure, higher dimensional space, topological coding, chirality of alanine

摘要: 分析高维空间的拓扑特性,并给出高维空间的标准作图法则。在此基础上,提出一种新的有机分子结构的高维空间拓扑编码方法。这种方法以不同的上标符号代表不同的非氢原子,再根据有机分子中的非氢原子在高维空间中的位置排列和联结方式进行编码。这种编码简单明了,普遍适用,统一规范,系统性强,使用方便,同时能够反映出分子的不同异构体和手性。特别对L-型氨基酸及D-型氨基酸的手性及其编码的关系进行深入的分析。

关键词: 分子结构, 高维空间, 拓扑编码, 手性

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