Hydration strongly affects the molecular and electronic structure of membrane phospholipids
DC Element | Wert | Sprache |
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dc.contributor.author | Mashaghi, Alireza | |
dc.contributor.author | Partovi-Azar, P. | |
dc.contributor.author | Jadidi, Tayebeh | |
dc.contributor.author | Nafari, Nasser | |
dc.contributor.author | Maass, Philipp | |
dc.contributor.author | Tabar, M. Reza Rahimi | |
dc.contributor.author | Bonn, Mischa | |
dc.contributor.author | Bakker, Huib J. | |
dc.date.accessioned | 2021-12-23T16:20:31Z | - |
dc.date.available | 2021-12-23T16:20:31Z | - |
dc.date.issued | 2012 | |
dc.identifier.issn | 00219606 | |
dc.identifier.uri | https://osnascholar.ub.uni-osnabrueck.de/handle/unios/13483 | - |
dc.description.abstract | We investigate the structure and electronic properties of phosphatidylcholine (PC) under different degrees of hydration at the single-molecule and monolayer type level by linear scaling ab initio calculations. Upon hydration, the phospholipid undergoes drastic long-range conformational rear-rangements which lead to a sickle-like ground-state shape. The structural unit of the tilted gel-phase PC appears to be a water-bridged PC dimer. We find that hydration dramatically alters the surface potential, dipole and quadrupole moments of the lipids and consequently guides the interactions of the lipids with other molecules and the communication between cells. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3694280] | |
dc.description.sponsorship | Deutsche Forschungsgemeinschaft (DFG)German Research Foundation (DFG) [190/135-1]; Foundation for Fundamental Research on Matter (FOM)FOM (The Netherlands); We thank V. Volkov, A. Mugler, M. Leunissen, and M. Anvari for their helpful comments on the manuscript. M. R. R. T. thanks Deutsche Forschungsgemeinschaft (DFG Grant No. 190/135-1) for financial support. A. M. and H. J. B. are supported by the research programme of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). | |
dc.language.iso | en | |
dc.publisher | AMER INST PHYSICS | |
dc.relation.ispartof | JOURNAL OF CHEMICAL PHYSICS | |
dc.subject | AB-INITIO | |
dc.subject | Chemistry | |
dc.subject | Chemistry, Physical | |
dc.subject | DIPOLE-MOMENT | |
dc.subject | DPPC | |
dc.subject | DYNAMICS SIMULATIONS | |
dc.subject | LIPID-BILAYERS | |
dc.subject | MONOLAYERS | |
dc.subject | PHASE DIPALMITOYLPHOSPHATIDYLCHOLINE | |
dc.subject | PHOSPHATIDYLCHOLINE | |
dc.subject | Physics | |
dc.subject | Physics, Atomic, Molecular & Chemical | |
dc.subject | SURFACE | |
dc.subject | WATER | |
dc.title | Hydration strongly affects the molecular and electronic structure of membrane phospholipids | |
dc.type | journal article | |
dc.identifier.doi | 10.1063/1.3694280 | |
dc.identifier.isi | ISI:000302214200054 | |
dc.description.volume | 136 | |
dc.description.issue | 11 | |
dc.contributor.orcid | 0000-0002-1268-8688 | |
dc.contributor.orcid | 0000-0001-6851-8453 | |
dc.contributor.orcid | 0000-0002-2157-1211 | |
dc.contributor.orcid | 0000-0001-5568-1315 | |
dc.contributor.researcherid | ABH-1850-2020 | |
dc.contributor.researcherid | H-1477-2011 | |
dc.contributor.researcherid | H-7446-2012 | |
dc.contributor.researcherid | Q-8218-2017 | |
dc.publisher.place | CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA | |
dcterms.isPartOf.abbreviation | J. Chem. Phys. | |
crisitem.author.dept | FB 04 - Physik | - |
crisitem.author.deptid | fb04 | - |
crisitem.author.parentorg | Universität Osnabrück | - |
crisitem.author.netid | MaPh688 | - |
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geprüft am 01.06.2024