Carbon-13 NMR chemical shift and electronic structure of solid polypeptides as studied by tight-binding MO theory. Polyglycine and poly(L-alanine).
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概要
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A tight-binding MO-sum-over-state theory has been used to calculate the <SUP>13</SUP>C NMR chemical shift of polyglycine having the forms I and II and that of poly(L-alanine) having the α-helix and β-sheet forms, in order to justify the origin of the conformation-dependent <SUP>13</SUP>C NMR chemical shift previously determined by the cross polarization-magic angle spinning technique. The calculated results on the carbonyl, C<SUB>α</SUB> and C<SUB>β</SUB> carbons were found to exhibit the conformation-dependent <SUP>13</SUP>C NMR chemical shifts comparable with the experimental data.
- 公益社団法人 日本化学会の論文
著者
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Shoji Akira
Department Of Biological Sciences Faculty Of Engineering Gunma University
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Ando Isao
Department Of Chemistry And Materials Science Tokyo Institute Of Technology
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Yamanobe Takeshi
Department Of Chemistry And Chemical Biology Gunma University
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Tabeta Ryoko
Biophysics Division, National Cancer Center Research Institute
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Shoji Akira
Department of Industrial Chemistry, College of Technology, Gunma University
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Yamanobe Takeshi
Department of Polymer Chemistry, Tokyo Institute of Technology
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Saito Hazime
Biophysics Division, National Cancer Center Research Institute
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Ozaki Takuo
Department of Industrial Chemistry, College of Technology, Gunma University
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Tabeta Ryoko
Biophysics Division
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