Transition dipole coupling in Amide I modes of βpolypeptides
Transition dipole coupling in Amide I modes of βpolypeptides
复制标题
β多肽酰胺I模式中的过渡偶极耦合
DOI：
10.1073/pnas.72.12.4933
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发表时间：
1975
影响因子：
11.1
通讯作者：
S. Krimm
中科院分区：
文献类型：
--
作者：
W. H. Moore;S. Krimm
摘要
我们先前介绍的跃迁偶极耦合有助于解释反平行链折叠片聚甘氨酸I的酰胺I模式的分裂。这种机制现在已经被应用于该多肽的更可能的波纹片结构以及聚（L-丙氨酸）的褶皱片结构。获得了令人满意的一致的解释，在这两种多肽的分裂。由于先前纳入的相互作用常数尚未在本治疗中使用，这些结果表明，跃迁偶极耦合单独可以提供理解这些分裂的物理基础。因此，现在可以有把握地预测迄今为止未确定的反平行链褶片的v（π，π）频率以及平行链褶片的特征频率。
Abstract
Our previous introduction of transition dipole coupling helped to explain the splittings in the Amide I modes of antiparallel chain pleated sheet polyglycine I. This mechanism has now been applied to the more likely rippled sheet structure of this polypeptide as well as to the pleated sheet structure of poly(L-alanine). A satisfactorily consistent explanation of the splittings in both polypeptides is obtained. Since a previously incorporated interaction constant has not been used in the present treatment, these results show that transition dipole coupling alone can provide the physical basis for understanding these splittings. It is therefore now possible to predict with confidence the hitherto unidentified v(π,π) frequency of the antiparallel chain pleated sheet as well as the characteristic frequencies of the parallel chain pleated sheet.