Theoretical Studies on Electronic Structures of Polypeptide Chains

Kyozaburo Takeda, Kenji Shiraishi

研究成果: Article査読

11 被引用数 (Scopus)


Electronic structures of polypeptide chains are theoretically studied. To extract the electronic tendency and/or electronic functions of individual amino acids, twelve kinds of homopolypeptide chains, which are formed by a single kind of amino acids, are considered, and their electronic structures are investigated by the first-principle band calculation. Polypeptide chains have the potential to be a semiconductor having a wide baud gap of 3 ∼ 5 eV. Their band-edge states are basically the π electronic states and can delocalize along the peptide backbone. The degree of the delocalization depends on the kind of constituent amiuo acids and also the orientation of the amino acid side chains against the peptide backbone. We also investigate how the random alignment of amino acids affects the band-edge electronic structures by using the coherent potential approximation approach. In accordance with the kind of alignēd amino acids, the aperiodicity in the alignment produces amalgamated electronic states so as to annihilate the individual amino acid's electronic identity, or produces persistent states in order to maintain their electronic characteristics.

ジャーナルjournal of the physical society of japan
出版ステータスPublished - 1996

ASJC Scopus subject areas

  • 物理学および天文学(全般)


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