Home > Publications database > Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion > print

001     201297
005     20240625085657.0
024 7 _ |a 10.1073/pnas.1121227109
|2 doi
024 7 _ |a 0027-8424
|2 ISSN
024 7 _ |a 1091-6490
|2 ISSN
024 7 _ |a WOS:000306061400025
|2 WOS
024 7 _ |a altmetric:786275
|2 altmetric
024 7 _ |a pmid:22675120
|2 pmid
037 _ _ |a FZJ-2015-03602
041 _ _ |a English
082 _ _ |a 000
100 1 _ |0 P:(DE-HGF)0
|a Zhang, C.
|b 0
245 _ _ |a Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion
260 _ _ |a Washington, DC
|b National Acad. of Sciences
|c 2012
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1433837726_26778
|2 PUB:(DE-HGF)
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|0 0
|2 EndNote
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a article
|2 DRIVER
520 _ _ |a Fast lateral proton migration along membranes is of vital importance for cellular energy homeostasis and various proton-coupled transport processes. It can only occur if attractive forces keep the proton at the interface. How to reconcile this high affinity to the membrane surface with high proton mobility is unclear. Here, we tested whether a minimalistic model interface between an apolar hydrophobic phase (n-decane) and an aqueous phase mimics the biological pathway for lateral proton migration. The observed diffusion span, on the order of tens of micrometers, and the high proton mobility were both similar to the values previously reported for lipid bilayers. Extensive ab initio simulations on the same water∕n-decane interface reproduced the experimentally derived free energy barrier for the excess proton. The free energy profile adopts the shape of a well at the interface, having a width oftwo water molecules and a depth of 6 +/- 2RT. The hydroniums in direct contact with n-decane have a reduced mobility. However, the hydroniums in the second layer of water molecules are mobile. Their in silico diffusion coefficient matches that derived from our in vitro experiments, 5.7 +/- 0.7 × 10^−5 cm^2 s^−1. Conceivably, these are the protons that allow for fast diffusion along biological membranes.
536 _ _ |0 G:(DE-HGF)POF2-899
|a 899 - ohne Topic (POF2-899)
|c POF2-899
|x 0
|f POF I
588 _ _ |a Dataset connected to CrossRef, juser.fz-juelich.de
700 1 _ |0 P:(DE-HGF)0
|a Knyazev, D. G.
|b 1
700 1 _ |0 P:(DE-HGF)0
|a Vereshaga, Y. A.
|b 2
700 1 _ |0 P:(DE-Juel1)146009
|a Ippoliti, E.
|b 3
|u fzj
700 1 _ |0 P:(DE-HGF)0
|a Nguyen, T. H.
|b 4
700 1 _ |0 P:(DE-Juel1)145614
|a Carloni, P.
|b 5
|e Corresponding Author
|u fzj
700 1 _ |0 P:(DE-HGF)0
|a Pohl, P.
|b 6
773 _ _ |0 PERI:(DE-600)1461794-8
|a 10.1073/pnas.1121227109
|g Vol. 109, no. 25, p. 9744 - 9749
|n 25
|p 9744 - 9749
|t Proceedings of the National Academy of Sciences of the United States of America
|v 109
|x 1091-6490
|y 2012
909 C O |o oai:juser.fz-juelich.de:201297
|p VDB
910 1 _ |0 I:(DE-588b)1026307295
|6 P:(DE-Juel1)136680
|a German Research School for Simulation Sciences
|b 0
|k GRS
910 1 _ |0 I:(DE-588b)1026307295
|6 P:(DE-HGF)0
|a German Research School for Simulation Sciences
|b 2
|k GRS
910 1 _ |0 I:(DE-588b)5008462-8
|6 P:(DE-Juel1)146009
|a Forschungszentrum Jülich GmbH
|b 3
|k FZJ
910 1 _ |0 I:(DE-588b)1026307295
|6 P:(DE-HGF)0
|a German Research School for Simulation Sciences
|b 4
|k GRS
910 1 _ |0 I:(DE-588b)5008462-8
|6 P:(DE-Juel1)145614
|a Forschungszentrum Jülich GmbH
|b 5
|k FZJ
913 2 _ |0 G:(DE-HGF)POF3-899
|1 G:(DE-HGF)POF3-890
|2 G:(DE-HGF)POF3-800
|a DE-HGF
|b Forschungsbereich Materie
|l Forschungsbereich Materie
|v ohne Topic
|x 0
913 1 _ |0 G:(DE-HGF)POF2-899
|1 G:(DE-HGF)POF2-890
|2 G:(DE-HGF)POF2-800
|a DE-HGF
|b Programmungebundene Forschung
|l ohne Programm
|v ohne Topic
|x 0
|4 G:(DE-HGF)POF
|3 G:(DE-HGF)POF2
915 _ _ |0 StatID:(DE-HGF)0100
|2 StatID
|a JCR
915 _ _ |0 StatID:(DE-HGF)0110
|2 StatID
|a WoS
|b Science Citation Index
915 _ _ |0 StatID:(DE-HGF)0111
|2 StatID
|a WoS
|b Science Citation Index Expanded
915 _ _ |0 StatID:(DE-HGF)0150
|2 StatID
|a DBCoverage
|b Web of Science Core Collection
915 _ _ |0 StatID:(DE-HGF)0199
|2 StatID
|a DBCoverage
|b Thomson Reuters Master Journal List
915 _ _ |0 StatID:(DE-HGF)0200
|2 StatID
|a DBCoverage
|b SCOPUS
915 _ _ |0 StatID:(DE-HGF)0300
|2 StatID
|a DBCoverage
|b Medline
915 _ _ |0 StatID:(DE-HGF)0310
|2 StatID
|a DBCoverage
|b NCBI Molecular Biology Database
915 _ _ |0 StatID:(DE-HGF)1030
|2 StatID
|a DBCoverage
|b Current Contents - Life Sciences
915 _ _ |0 StatID:(DE-HGF)1040
|2 StatID
|a DBCoverage
|b Zoological Record
915 _ _ |0 StatID:(DE-HGF)1050
|2 StatID
|a DBCoverage
|b BIOSIS Previews
915 _ _ |0 StatID:(DE-HGF)1060
|2 StatID
|a DBCoverage
|b Current Contents - Agriculture, Biology and Environmental Sciences
915 _ _ |0 StatID:(DE-HGF)9905
|2 StatID
|a IF >= 5
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)GRS-20100316
|k GRS
|l GRS
|x 0
920 1 _ |0 I:(DE-Juel1)IAS-5-20120330
|k IAS-5
|l Computational Biomedicine
|x 1
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)GRS-20100316
980 _ _ |a I:(DE-Juel1)IAS-5-20120330
980 _ _ |a UNRESTRICTED
981 _ _ |a I:(DE-Juel1)INM-9-20140121
981 _ _ |a I:(DE-Juel1)IAS-5-20120330

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21