Comblike Poly(-alkyl -glutamate)s: Computer Simulation Studies o
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- 作者：David Curcó ; David Zanuy ; Carlos Alemá ; n ; Elisabet Rude ; and Sebastiá ; n Muñ ; oz-Guerra
- 刊名：Biomacromolecules
- 出版年：2003
- 出版时间：January 2003
- 年：2003
- 卷：4
- 期：1
- 页码：87 - 95
- 全文大小：731K
- 年卷期：v.4,no.1(January 2003)
- ISSN：1526-4602
文摘
Monte Carlo (MC) simulations have been used to study the structure of an intermediate thermal phase ofpoly(
-octadecyl 
,D-glutamate). This is a comblike poly(-peptide) able to adopt a biphasic structure thathas been described as a layered arrangement of backbone helical rods immersed in a paraffinic pool ofpolymethylene side chains. Simulations were performed at two different temperatures (348 and 363 K),both of them above the melting point of the paraffinic phase, using the configurational bias MC algorithm.Results indicate that layers are constituted by a side-by-side packing of 17/5 helices. The organization ofthe interlayer paraffinic region is described in atomistic terms by examining the torsional angles and theend-to-end distances for the octadecyl side chains. Comparison with previously reported comblike poly(
-peptide)s revealed significant differences in the organization of the alkyl side chains.
-octadecyl ,D-glutamate). This is a comblike poly(-peptide) able to adopt a biphasic structure thathas been described as a layered arrangement of backbone helical rods immersed in a paraffinic pool ofpolymethylene side chains. Simulations were performed at two different temperatures (348 and 363 K),both of them above the melting point of the paraffinic phase, using the configurational bias MC algorithm.Results indicate that layers are constituted by a side-by-side packing of 17/5 helices. The organization ofthe interlayer paraffinic region is described in atomistic terms by examining the torsional angles and theend-to-end distances for the octadecyl side chains. Comparison with previously reported comblike poly(-peptide)s revealed significant differences in the organization of the alkyl side chains.