Phonon dispersion in poly(L-arginine)

被引：8

作者：

Sharma, P ^{[1
]}

Misra, NK ^{[1
]}

Tandon, P ^{[1
]}

Gupta, VD ^{[1
]}

机构：

[1] Univ Lucknow, Dept Phys, Lucknow 226007, Uttar Pradesh, India

来源：

JOURNAL OF MACROMOLECULAR SCIENCE-PHYSICS | 2002年 / B41卷 / 02期

关键词：

phonons; dispersion curves; density-of-states; heat capacity;

D O I：

10.1081/MB-120003088

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

Poly(L-arginine) is a basic polypeptide, which undergoes dramatic conformational changes as a consequence of variation in its water content. Complete normal mode calculations and their dispersion are reported for the P-sheet conformation of this biopolymer using the Urey-Bradley force field and the Higgs method for infinite systems. The results indicate that the modes below 1350 cm(-1) show appreciable dispersion. A study of its normal modes and their dispersive behavior shows repulsion with character exchange. Amide modes, side-chain modes, and mixed modes are reported. The heat capacity calculated from the dispersion curves via density-of-states using Debye's relation is compared with the experimental data in the temperature range 220-390K.

引用

页码：319 / 340

页数：22

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