Theoretical Studies on Electronic Structures of Polypeptide Chains

概要

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Electronic structvures of polypeptide chains are theoretically studied. To extract the electronictendency and/or electronic ftnnctions of individtral amino acids, twelve kinds of homopolypeptidechains, which are formed by a single kind of amino acids, are considered, and their electronicstrtuctures are investigated by the first-principle band calculation. Polypeptide chains have thepotential to be a semiconductor having a wide band gap of 3 x 5 eV. Their band-edge states arebasically the m electronic states and can delocalize along tlze peptide backbone. The degree ofthe delocalization depends on the kind of constituent arnino acids and also the orientation of theamino acid side chains against the peptide backbone. We also investigate how the random align-ment of amino acids affects the band-edge electronic structures by using the coherent potentialapproximation approach. In accordance with tlue kind of aligned amino acids, the aperiodic-ity in the alignment prodvuces amalgamated electronic states so as to annihilate the individualamino acid's electronic identity, or prodtnces persistent states iru order to maintain tlneir electroniccharacteristics.
社団法人日本物理学会の論文
1996-02-15