Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 25, 2012, Pages 9744-9749

  Zhang, Chao ^a   Knyazev, Denis G ^b   Vereshaga, Yana A ^a   Ippoliti, Emiliano ^a   Nguyen, Trung Hai ^a   Carloni, Paolo ^a,c   Pohl, Peter ^b  

^a German Research School for Simulation Sciences ^*  (Germany)

^b JOHANNES KEPLER UNIVERSITY LINZ   (Austria)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Free energy calculations; Hydrophilic liquid interface; Hydrophobic liquid; Surface acidity

Indexed keywords

DECANE; HYDRONIUM ION; PROTON; WATER;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; COMPUTER MODEL; DIFFUSION; DIFFUSION COEFFICIENT; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; IN VITRO STUDY; MOLECULAR DYNAMICS; MOLECULAR MIMICRY; PH; PRIORITY JOURNAL; PROTON TRANSPORT;

DIFFUSION; LIPID BILAYERS; PROTONS; WATER;

EID: 84862571258     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1121227109     Document Type: Article

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