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The aliphatic alcohols included methanol, ethanol, and 2\u2010propanol, whereas the fluorinated alcohols were 2,2,2\u2010trifluoroethanol and 1,1,1,3,3,3\u2010hexafluoro\u20102\u2010propanol. The MD results show that the hydrophobic alkyl moiety of Leu is surrounded by the alkyl or fluoroalkyl groups of the alcohol molecules. In particular, TFE and HFIP significantly solvate the alkyl group of Leu. IR spectra reveal that the Leu C\u2212H stretching vibration blueshifts in fluorinated alcohol solutions with increasing alcohol content, whereas the vibration redshifts in aliphatic alcohol solutions. When the C\u2212H stretching vibration blueshifts in the fluorinated alcohol solutions, the hydrogen and carbon atoms of the Leu alkyl group are magnetically shielded. Consequently, TFE and HFIP molecules may solvate the Leu alkyl group through the blue\u2010shifting hydrogen bonds.\n                  <\/jats:p>","DOI":"10.1002\/cphc.201500583","type":"journal-article","created":{"date-parts":[[2015,8,20]],"date-time":"2015-08-20T06:22:35Z","timestamp":1440051755000},"page":"3190-3199","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["A Study of the Solvation Structure of\n                    <scp>l<\/scp>\n                    \u2010Leucine in Alcohol\u2013Water Binary Solvents through Molecular Dynamics Simulations and FTIR and NMR Spectroscopy"],"prefix":"10.1002","volume":"16","author":[{"given":"Toshiyuki","family":"Takamuku","sequence":"first","affiliation":[{"name":"Department of Chemistry and Applied Chemistry Graduate School of Science and Engineering Saga University  Honjo-machi Saga 840-8502 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