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Phonons and their dispersion in α-poly(β-benzyl-L-aspartate)

机译:声子及其在α-聚(β-苄基-L-天冬氨酸)中的分散

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摘要

Poly(β-benzyl-L-aspartate) (PBLA) is an unusual polypeptide which is capable of going into four different conformations; namely, left-handed α-helix, right-handed α-helix, ω-helix and β pleated sheet. The present work is a complete study of normal modes and their dispersion in the unusual left-handed α form. A special feature of some dispersion curves is their tendency to bunch in the neighbourhood of helix angle. It has been attributed to the presence of strong intramolecular interactions. Crossing and repulsion between the dispersion curves is also observed. The N-deuterated analogue of PBLA has been studied to check the validity of assignments and force field (Urey Bradley). Specific heat has been obtained from dispersion curves via. density-of-states. A comparative study of left-handed and right-handed forms is presented.
机译:聚(β-苄基-L-天冬氨酸)(PBLA)是一种不寻常的多肽,能够变成四个不同的构象;即左旋α螺旋,右旋α螺旋,ω螺旋和β折叠片。目前的工作是对正常模式及其以不寻常的左手α形式分散的完整研究。一些色散曲线的一个特殊特征是它们倾向于在螺旋角附近聚束。归因于强烈的分子内相互作用的存在。还观察到了色散曲线之间的交叉和排斥。研究了PBLA的N氘代类似物以检查分配和力场的有效性(Urey Bradley)。从分散曲线via获得比热。状态密度。提出了左撇子和右撇子形式的比较研究。

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