publication . Article . Preprint . 2017

Molecular Packing, Hydrogen Bonding, and Fast Dynamics in Lysozyme/Trehalose/Glycerol and Trehalose/Glycerol Glasses at Low Hydration

Adrien Lerbret; Frédéric Affouard;
Open Access English
  • Published: 27 Sep 2017
  • Publisher: HAL CCSD
  • Country: France
Abstract
Water and glycerol are well-known to facilitate the structural relaxation of amorphous protein matrices. However, several studies evidenced that they may also limit fast ($\sim$ pico-nanosecond, ps-ns) and small-amplitude ($\sim$ \AA ) motions of proteins, which govern their stability in freeze-dried sugar mixtures. To determine how they interact with proteins and sugars in glassy matrices and, thereby, modulate their fast dynamics, we performed molecular dynamics (MD) simulations of lysozyme/trehalose/glycerol (LTG) and trehalose/glycerol (TG) mixtures at low glycerol and water concentrations. Upon addition of glycerol and/or water, the glass transition tempera...
Subjects
free text keywords: coated carboxy-myoglobin, neutron-scattering, solid-state, water-content, protein pharmaceuticals, preferential hydration, solvent dynamics, binary glasses, force-field, free-volume, [SDV.IDA]Life Sciences [q-bio]/Food engineering, [ SDV.IDA ] Life Sciences [q-bio]/Food engineering, Condensed Matter - Soft Condensed Matter, Physical and Theoretical Chemistry, Materials Chemistry, Surfaces, Coatings and Films, Amorphous solid, Glass transition, Inorganic chemistry, Molecular dynamics, Hydrogen bond, Glycerol, chemistry.chemical_compound, chemistry, Lysozyme, Transition temperature, Trehalose
21 references, page 1 of 2

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publication . Article . Preprint . 2017

Molecular Packing, Hydrogen Bonding, and Fast Dynamics in Lysozyme/Trehalose/Glycerol and Trehalose/Glycerol Glasses at Low Hydration

Adrien Lerbret; Frédéric Affouard;