ArticleJournal of the American Chemical Society2010
Vibrational sum-frequency generation spectroscopy at the water/lipid interface: molecular dynamics simulation study.
Article in Journal of the American Chemical Society, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed.
- Machine-learning enhanced simulations predict graphene is microscopically hydrophobic and not wetting transparent.Nature communications · 2026Article
- Molecular Mechanisms of Action of Dendrimers with Antibacterial Activities on Model Lipid Membranes.Polymers · 2025Article
- Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning Study.JACS Au · 2025Article
- How Thick is the Air-Water Interface?─A Direct Experimental Measurement of the Decay Length of the Interfacial Structural Anisotropy.Langmuir : the ACS journal of surfaces and colloids · 2024Article
- Manipulating ultrafast even-order nonlinear chiral responses of L-tryptophan by polarization pulse shaping.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Sum rule comparison of narrowband and broadband sum frequency generation spectra and comparison with theory.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Interaction of KLAKLAK-NHPharmaceutics · 2024Article
- Local pH at Nonionic and Zwitterionic Lipid/Water Interfaces Revealed by Heterodyne-Detected Electronic Sum-Frequency Generation: A Unified View to Predict Interfacial pH of Biomembranes.The journal of physical chemistry. B · 2023Article
- Design of an Electrostatic Frequency Map for the NH Stretch of the Protein Backbone and Application to Chiral Sum Frequency Generation Spectroscopy.The journal of physical chemistry. B · 2023Article
- Dehydration does not affect lipid-based hydration lubrication.Nanoscale · 2022Article
- Surface Properties of Saponin-Chitosan Mixtures.Molecules (Basel, Switzerland) · 2022Article
- Disentangling Sum-Frequency Generation Spectra of the Water Bending Mode at Charged Aqueous Interfaces.The journal of physical chemistry. B · 2021Article
- Interfacial Water Structure at Zwitterionic Membrane/Water Interface: The Importance of Interactions between Water and Lipid Carbonyl Groups.ACS omega · 2020Article
- Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation.Chemical reviews · 2020Article
- Sum frequency generation, calculation of absolute intensities, comparison with experiments, and two-field relaxation-based derivation.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Dynamic surface properties of PEG-coated CuS nanoparticles alter their interaction with cells as revealed by surface-enhanced infrared spectroscopy.Nanoscale advances · 2019Article
- Comparative Adsorption of Acetone on Water and Ice Surfaces.Angewandte Chemie (International ed. in English) · 2019Article
- Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity.The journal of physical chemistry. B · 2018Article
- Saturation of charge-induced water alignment at model membrane surfaces.Science advances · 2018Article
- Observation and Identification of a New OH Stretch Vibrational Band at the Surface of Ice.The journal of physical chemistry letters · 2017Article
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2 authors.
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Abstract
The sum-frequency generation (SFG) spectrum from the water/[1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine] (DMPC) interface in the OH stretching mode region of water is simulated and shows three spectral peaks which are assigned to different environments. The weak 3590 cm(-1) peak is attributed to a few water molecules coupled to the glycerol backbone of DMCP. The 3470 cm(-1) feature comes from the top water layer adjacent to the hydrophilic headgroup of DMPC. The 3290 cm(-1) peak arises from the near-bulk water nonadjacent to DMPC. The stretching mode corresponding to the 3290 cm(-1) peak is strongly coupled to the neighboring water molecules. In contrast, the 3470 cm(-1) mode is decoupled from the surrounding water molecules, and the orientation of water is governed by DMPC. This decoupling explains the slow relaxation dynamics of water measured in the time-resolved SFG experiment. Despite the similarity of the SFG spectra, the peak origins of water/lipid and water/vapor interfaces are different.
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