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Cover Image, Volume 120, Issue 9
Publication year - 2020
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26205
Subject(s) - cover (algebra) , hydrogen bond , volume (thermodynamics) , chemistry , computer science , citation , crystallography , molecule , physics , library science , thermodynamics , organic chemistry , mechanical engineering , engineering
Using modern electronic structure methods for evaluating interatomic forces and a chemical oriented heuristic approach, Giuseppe Lanza and Maria A. Chiacchio, in e26161, constructed the very first hydration shell around aliphatic amino acids. The water‐amino acid interactions are dominated by strong hydrogen bonds involving charged groups. To minimize the cavity size and to prevent water‐water hydrogen bonding loss, the water molecules around hydrophobic side chain adopt a shape resembling the one found in crystal structure of gas clathrate hydrates. This is exemplified in the cover image for the hydration shell of valine. DOI: 10.1002/qua.26161