Water Activity from Equilibrium Molecular Dynamics Simulations and Kirkwood-Buff Theory
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Abstract: The connection of lipophilic gallic acid derivatives at the 5,5¢- or 6,6¢-positions of the rigid 2,6-bis(1-ethyl-benzimidazol-2-yl)pyridine core provides two pro-mesogenic tridentate ligands L10 and L12, whose molecular shapes, anisometries, and ...
Protein folding stands as one of the major interdisciplinary challenges of the last ten years, involving biology, chemistry, medicine and physics. In this PhD thesis, we investigate the solvent effects and the resulting hydrophobic effect on proteins. In p ...
The fundamental aspects of classical thermodynamics are presented in a simple compact way. The equations derived are illustrated by numerous (111) examples, often direct application of the relations just obtained. The (four) laws of thermodynamics are pres ...
Pulse radiolysis results suggest that the very first steps of silver aggregation in water involve the formation of Ag32+. The authors present a mixed classical quantum simulation of the absorption spectrum of this aggregate which is in agreement with the e ...
Free surface flows are extremely complex and appear in various cases such as chemistry, oceanography, thermodynamics and turbomachinery. Their complexity is due to the fact that they are composed of two distinct phases which are only separated by a thin in ...
This work deals with the engineering of a new luminescent complex of lanthanide, able to be specifically grafted onto biological materials and to emit a characteristic light useful in quantifying the concentration of the target molecules. We have based our ...
Good things come in small packages: For its moderate molecular weight, the metallostar complex [Fe{Gd2L(H2O)4}3]4− (see picture; L is a bipyridine–poly(aminocarboxylate) derivative) displays exceptionally high proton relaxivity, which is explained in terms ...
Mol. dynamics simulations at 298 K are used to study an aq. dissolved dye (eosin Y) adsorbed at the TiO2(1 1 0) surface to ext. static and dynamic information of solvation. Differences in the phys. behavior of the dye at the surface and in bulk H2O are com ...
The Bases of Chemical Thermodynamics: Volume 2 In this volume (volume 2), the tools necessary to study and understand systems in which chemical reactions can take place are developed. The variables of reaction are the keys to this understanding. Criteria f ...
The Bases of Chemical Thermodynamics: Volume 1 In this volume (volume 1), the fundamental aspects of thermodynamics are presented. The first and second laws of thermodynamics are illustrated. The need to define thermodynamic temperature and the nature of e ...