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Cover Image, Volume 37, Issue 23
Publication year - 2016
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24458
Subject(s) - cover (algebra) , inverse , hydrogen bond , image (mathematics) , hydrogen , photosystem ii , anisotropy , chemistry , physics , crystallography , combinatorics , computer science , mathematics , quantum mechanics , geometry , artificial intelligence , photosynthesis , molecule , engineering , mechanical engineering , biochemistry
On page 2140 (DOI: 10.1002/jcc.24438 ) Y. Kanematsu, Y. Takano, and M. Tachikawa discuss the H/D isotope effect on a hydrogen bond between Yz and His190 of Photosystem II (PSII) using multicomponent quantum mechanics. The hydrogen bond showed a decrease in the donor‐acceptor distance upon deuteration, i.e. the inverse Ubbelohde effect, along with a strong dependence on the anisotropy of the potential energy profile. Such isotopic behaviors reasonably agreed with those of FHF – , which is one of the strongest hydrogen bonding systems. According to the agreement, PSII was confirmed as a biomolecular system containing the short strong hydrogen bond.