ArticleThe journal of physical chemistry letters2021
Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies.
Article in The journal of physical chemistry letters, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 67 citations in OpenAlex.
- Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces.Journal of the American Chemical Society · 2026Article
- Quantum-Scale Friction at Solid-Liquid Interface: Simulation, Detection Techniques, Mechanisms, and Emerging Applications.Nano-micro letters · 2026Review
- Ultrafast Intermolecular Dynamics of Nanoconfined Water in Swollen Lipid Cubic Mesophases.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- Terahertz calorimetry spotlights the role of water in biological processes.Nature reviews. Chemistry · 2025Review
- Weathering influences the ice nucleation activity of microplastics.Nature communications · 2024Article
- Effects of Surface Charge Distribution and Electrolyte Ions on the Nonlinear Spectra of Model Solid-Water Interfaces.Molecules (Basel, Switzerland) · 2024Article
- Real-time measure of solvation free energy changes upon liquid-liquid phase separation of α-elastin.Biophysical journal · 2024Article
- Tuning Acid-Base Chemistry at an Electrified Gold/Water Interface.Journal of the American Chemical Society · 2024Article
- A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations.The journal of physical chemistry letters · 2023Article
- Algorithmic Graph Theory, Reinforcement Learning and Game Theory in MD Simulations: From 3D Structures to Topological 2D-Molecular Graphs (2D-MolGraphs) and Vice Versa.Molecules (Basel, Switzerland) · 2023Article
- Deciphering the Properties of Nanoconfined Aqueous Solutions by Vibrational Sum Frequency Generation Spectroscopy.The journal of physical chemistry letters · 2023Article
- Probing the Gold/Water Interface with Surface-Specific Spectroscopy.ACS physical chemistry Au · 2023Article
- Superhydrophilicity of α-alumina surfaces results from tight binding of interfacial waters to specific aluminols.Journal of colloid and interface science · 2022Article
- The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Spectroscopic Fingerprints of Cavity Formation and Solute Insertion as a Measure of Hydration Entropic Loss and Enthalpic Gain.Angewandte Chemie (International ed. in English) · 2022Article
Corrections and comments
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Authors and funding
10 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Hydrophobicity/hydrophilicity of aqueous interfaces at the molecular level results from a subtle balance in the water-water and water-surface interactions. This is characterized here via density functional theory-molecular dynamics (DFT-MD) coupled with vibrational sum frequency generation (SFG) and THz-IR absorption spectroscopies. We show that water at the interface with a series of weakly interacting materials is organized into a two-dimensional hydrogen-bonded network (2D-HB-network), which is also found above some macroscopically hydrophilic silica and alumina surfaces. These results are rationalized through a descriptor that measures the number of "vertical" and "horizontal" hydrogen bonds formed by interfacial water, quantifying the competition between water-surface and water-water interactions. The 2D-HB-network is directly revealed by THz-IR absorption spectroscopy, while the competition of water-water and water-surface interactions is quantified from SFG markers. The combination of SFG and THz-IR spectroscopies is thus found to be a compelling tool to characterize the finest details of molecular hydrophobicity at aqueous interfaces.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.