2017
DOI: 10.1126/sciadv.1701400
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Origin of the blueshift of water molecules at interfaces of hydrophilic cyclic compounds

Abstract: Molecular mechanism of the blueshift of water molecules.

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Cited by 26 publications
(23 citation statements)
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References 49 publications
(57 reference statements)
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“…Particularly, a red-shift from 1189 to 1182 cm −1 representing N-H bending was observed. It is possibly induced by the change in N-H vibration mode or the bond length of N-H 46, 47 , in response to the interfered H-bond of ACE2 after recognizing SARS-CoV-2 spike protein. The crystal structure of SARS-CoV-2 spike RBD bound to the ACE2 receptor indicates the networks of hydrophilic interactions at RBD/ACE2 interfaces 33 , which exhibits a conceivable existence of hydrogen bond elucidating the strength change of N-H bond 38 and explains the Raman spectral red-shift from1189 to 1182 cm −1 .…”
Section: Resultsmentioning
confidence: 99%
“…Particularly, a red-shift from 1189 to 1182 cm −1 representing N-H bending was observed. It is possibly induced by the change in N-H vibration mode or the bond length of N-H 46, 47 , in response to the interfered H-bond of ACE2 after recognizing SARS-CoV-2 spike protein. The crystal structure of SARS-CoV-2 spike RBD bound to the ACE2 receptor indicates the networks of hydrophilic interactions at RBD/ACE2 interfaces 33 , which exhibits a conceivable existence of hydrogen bond elucidating the strength change of N-H bond 38 and explains the Raman spectral red-shift from1189 to 1182 cm −1 .…”
Section: Resultsmentioning
confidence: 99%
“…In solution, water molecules are hydrogen-bonded to all OH groups. A hydration shell of water surrounds glucose molecules 58 . The supplementary information includes more detailed information about the molecular cluster structure of solved NaCl and glucose.…”
Section: Theoretical Backgroundmentioning
confidence: 99%
“…The phenomenon of a blueshift occurring for the OH dangling groups has been reported in the literature for water at hydrophobic interfaces. 52 …”
Section: Insights Into Covalent and Hydrogen Bonding Pattern In Struvmentioning
confidence: 99%