Vibrational Sum-Frequency Studies of a Series of Phospholipid Monolayers and the Associated Water Structure at the Vapor/Water Interface

2003 ◽  
Vol 107 (2) ◽  
pp. 512-518 ◽  
Author(s):  
Mark R. Watry ◽  
Teresa L. Tarbuck ◽  
Geraldine L. Richmond
Keyword(s):  
Water Structure ◽  
Water Interface ◽  
Sum Frequency ◽  
Phospholipid Monolayers

scholarly journals Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface

Atmosphere ◽  
2018 ◽  
Vol 9 (10) ◽  
pp. 396 ◽  
Author(s):  
Simone Pezzotti ◽  
Marie-Pierre Gaigeot
Keyword(s):  
Water Structure ◽  
Md Simulations ◽  
Interfacial Structure ◽  
Water Interface ◽  
Sum Frequency ◽  
Hydronium Ion ◽  
Sum Frequency Generation Spectroscopy ◽  
Air Water Interface ◽  
Ph Conditions ◽  
Shed Light

The knowledge of the water structure at the interface with the air in acidic pH conditions is of utmost importance for chemistry in the atmosphere. We shed light on the acidic air-water (AW) interfacial structure by DFT-MD simulations of the interface containing one hydronium ion coupled with theoretical SFG (Sum Frequency Generation) spectroscopy. The interpretation of SFG spectra at charged interfaces requires a deconvolution of the signal into BIL (Binding Interfacial Layer) and DL (Diffuse Layer) SFG contributions, which is achieved here, and hence reveals that even though H 3 O + has a chaotropic effect on the BIL water structure (by weakening the 2D-HBond-Network observed at the neat air-water interface) it has no direct probing in SFG spectroscopy. The changes observed experimentally in the SFG of the acidic AW interface from the SFG at the neat AW are shown here to be solely due to the DL-SFG contribution to the spectroscopy. Such BIL-SFG and DL-SFG deconvolution rationalizes the experimental SFG data in the literature, while the hydronium chaotropic effect on the water 2D-HBond-Network in the BIL can be put in perspective of the decrease in surface tension at acidic AW interfaces.

Effect of polymer adsorption on the water structure at the quartz/water interface studied by optical sum frequency generation

2007 ◽  
Vol 601 (22) ◽  
pp. 5173-5179 ◽  
Author(s):  
H. Sano ◽  
H. Yoshida ◽  
T. Oosugi ◽  
T. Murakami ◽  
Y. Takagawa ◽  
...  
Keyword(s):  
Water Structure ◽  
Polymer Adsorption ◽  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Frequency Generation

scholarly journals Nucleation and dissociation of methane clathrate embryo at the gas–water interface

2019 ◽  
Vol 116 (47) ◽  
pp. 23410-23415
Author(s):  
Rongda Liang ◽  
Huijie Xu ◽  
Yuneng Shen ◽  
Shumei Sun ◽  
Jiyu Xu ◽  
...  
Keyword(s):  
Water Structure ◽  
Bulk Water ◽  
Interfacial Structure ◽  
Water Interface ◽  
Energy And Environment ◽  
Sum Frequency ◽  
Natural Energy ◽  
Different Temperatures ◽  
Higher Temperature ◽  
Methane Clathrate

Among natural energy resources, methane clathrate has attracted tremendous attention because of its strong relevance to current energy and environment issues. Yet little is known about how the clathrate starts to nucleate and disintegrate at the molecular level, because such microscopic processes are difficult to probe experimentally. Using surface-specific sum-frequency vibrational spectroscopy, we have studied in situ the nucleation and disintegration of methane clathrate embryos at the methane-gas–water interface under high pressure and different temperatures. Before appearance of macroscopic methane clathrate, the interfacial structure undergoes 3 stages as temperature varies, namely, dissolution of methane molecules into water interface, formation of cage-like methane–water complexes, and appearance of microscopic methane clathrate, while the bulk water structure remains unchanged. We find spectral features associated with methane–water complexes emerging in the induction time. The complexes are present over a wide temperature window and act as nuclei for clathrate growth. Their existence in the melt of clathrates explains why melted clathrates can be more readily recrystallized at higher temperature, the so-called “memory effect.” Our findings here on the nucleation mechanism of clathrates could provide guidance for rational control of formation and disintegration of clathrates.

Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy

2018 ◽  
Author(s):  
Daniel R. Moberg ◽  
Shelby C. Straight ◽  
Francesco Paesani
Keyword(s):  
Temperature Dependence ◽  
Low Frequency ◽  
Potential Energy Function ◽  
Md Simulations ◽  
Sum Frequency Generation ◽  
Water Molecules ◽  
Water Interface ◽  
Sum Frequency ◽  
Air Water Interface ◽  
Frequency Generation

<div> <div> <div> <p>The temperature dependence of the vibrational sum-frequency generation (vSFG) spectra of the the air/water interface is investigated using many-body molecular dynamics (MB-MD) simulations performed with the MB-pol potential energy function. The total vSFG spectra calculated for different polarization combinations are then analyzed in terms of molecular auto-correlation and cross-correlation contributions. To provide molecular-level insights into interfacial hydrogen-bonding topologies, which give rise to specific spectroscopic features, the vSFG spectra are further investigated by separating contributions associated with water molecules donating 0, 1, or 2 hydrogen bonds to neighboring water molecules. This analysis suggests that the low frequency shoulder of the free OH peak which appears at ∼3600 cm−1 is primarily due to intermolecular couplings between both singly and doubly hydrogen-bonded molecules. </p> </div> </div> </div>

Penetration of a GPI-anchored protein into phospholipid monolayers spread at the air/water interface

2002 ◽  
Vol 23 (4) ◽  
pp. 365-373 ◽  
Author(s):  
Frédéric Ronzon ◽  
Bernard Desbat ◽  
Jean-Paul Chauvet ◽  
Bernard Roux
Keyword(s):  
Water Interface ◽  
Phospholipid Monolayers ◽  
Air Water Interface

Sum frequency spectroscopy of the hydrophobic nanodroplet/water interface: Absence of hydroxyl ion and dangling OH bond signatures

2014 ◽  
Vol 615 ◽  
pp. 124-131 ◽  
Author(s):  
Jean-Sebastién Samson ◽  
Rüdiger Scheu ◽  
Nikolay Smolentsev ◽  
Steven W. Rick ◽  
Sylvie Roke
Keyword(s):  
Water Interface ◽  
Sum Frequency ◽  
Hydroxyl Ion ◽  
Sum Frequency Spectroscopy
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