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Updated: Jun 27, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Intrinsic volumetric properties of trialanine isomers in aqueous solution
Lally Mitra1, Alla Oleinikova, Roland Winter
1Physikalische Chemie, Technische Universität Dortmund, 44221 Dortmund, Germany.
Abstract:
The intrinsic volume and the intrinsic coefficient of thermal expansion of alanine tripeptides of different chirality are obtained from densimetric and pressure-perturbation calorimetric measurements by using the volumetric properties of water of hydration obtained from computer simulations. The aim of this study is to provide better understanding of the different contributions to the volumetric properties of peptides in solution. Water of hydration makes a major contribution to the volumetric properties measured experimentally. The intrinsic thermal expansivity of the peptides is found to be negative despite positive apparent values of thermal expansivity due to the large positive expansivity of the water of hydration, which notably exceeds the bulk value. The different volumetric behavior of the isomers is discussed in relation to their structural characteristics.
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