Paper Citing NAMD - Abstract
Aliaga, Carolina; Briones, Luis; Caroli Rezende, Marcos; Tirapegui, Cristian
The thermochromism of the E-T(30) betaine in a micro-heterogeneous medium: A spectral and dynamics simulation study
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 349:565-570, SEP 15 2010
A spectral investigation of the thermochromic behavior of Reichardt's E-T(30) betaine in aqueous solutions of block copolymers ("poloxamers") P407, P237 and P105 was carried out as a function of temperature and concentration. The betaine microenvironment at various stages of the micellization process in these systems was mimicked with the aid of molecular dynamics simulations of model systems. These consisted of the E-T(30) probe in boxes of water molecules, in the presence of an isolated block copolymer of formula (PEO)(11)-(PPO)(16)-(PEO)(11), and of a micelle formed of 50 of these unimers. (C) 2010 Elsevier Inc. All rights reserved.
