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
收藏
页码：319 / 340
页数：22
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