143 citations · 299 across the 6 of their papers we have counts for
6 papers
Slowing down of water dynamics in disaccharide aqueous solutions
Adrien Lerbret, Frederic Affouard, Patrice Bordat +3
The dynamics of water in aqueous solutions of three homologous disaccharides, namely trehalose, maltose and sucrose, has been analyzed by means of molecular dynamics simulations in…
Exploring conformational energy landscape of glassy disaccharides by CPMAS 13C NMR and DFT/GIAO simulations. II. Enhanced molecular flexibility in amorphous trehalose
Ronan Lefort, Patrice Bordat, Attilio Cesaro +1
This paper deals with the comparative use of the chemical shift surfaces to simulate experimental 13C CPMAS data on amorphous solid state disaccharides, paying particular attention…
Exploring conformational energy landscape of glassy disaccharides by CPMAS 13C NMR and DFT/GIAO simulations. I. Methodological aspects
Ronan Lefort, Patrice Bordat, Attilio Cesaro +1
The aim of this article is to assess the ability of chemical shift surfaces to provide structural information on conformational distributions of disaccharides in glassy solid state…
Mutarotational Kinetics and Glass Transition of Lactose
Ronan Lefort, Vincent Caron, Jean-François Willart +1
We report for the first time real time in situ and quantitative measurements of the mutarotation reaction of lactose in the solid state. The experiments have been performed by 13C…
Analogy of the slow dynamics between the supercooled liquid and the supercooled plastic crystal states of difluorotetrachloroethane
F. Affouard, M. Descamps
Slow dynamics of difluorotetrachloroethane in both supercooled plastic crystal and supercooled liquid states have been investigated from Molecular Dynamics simulations. The tempera…
Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?
P. Bordat, F. Affouard, M. Descamps +1
By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that increase of anharmonicity and capacity for intermolecular…