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Vibrational spectroscopy by means of first‐principles molecular dynamics simulations
Vibrational spectroscopy is one of the most important experimental techniques for the
characterization of molecules and materials. Spectroscopic signatures retrieved in …
characterization of molecules and materials. Spectroscopic signatures retrieved in …
[HTML][HTML] Experimental and simulation-based characterization of surfactant adsorption layers at fluid interfaces
Adsorption of surfactants to fluid interfaces occurs in numerous technological and daily-life
contexts. The coverage at the interface and other properties of the formed adsorption layers …
contexts. The coverage at the interface and other properties of the formed adsorption layers …
Ions Speciation at the Water–Air Interface
In typical aqueous systems, including naturally occurring sweet and salt water and tap water,
multiple ion species are co-solvated. At the water–air interface, these ions are known to …
multiple ion species are co-solvated. At the water–air interface, these ions are known to …
Lipid-driven condensation and interfacial ordering of FUS
S Chatterjee, D Maltseva, Y Kan, E Hosseini… - Science …, 2022 - science.org
Protein condensation into liquid-like structures is critical for cellular compartmentalization,
RNA processing, and stress response. Research on protein condensation has primarily …
RNA processing, and stress response. Research on protein condensation has primarily …
The Surface of Colloidal Metal–Organic Framework Nanoparticles Revealed by Vibrational Sum Frequency Scattering Spectroscopy
Solvation shells strongly influence the interfacial chemistry of colloidal systems, from the
activity of proteins to the colloidal stability and catalysis of nanoparticles. Despite their …
activity of proteins to the colloidal stability and catalysis of nanoparticles. Despite their …
Does the sum-frequency generation signal of aromatic C–H vibrations reflect molecular orientation?
Organic molecules with aromatic groups at the aqueous interfaces play a central role in
atmospheric chemistry, green chemistry, and on-water synthesis. Insights into the …
atmospheric chemistry, green chemistry, and on-water synthesis. Insights into the …
True origin of amide I shifts observed in protein spectra obtained with sum frequency generation spectroscopy
Accurate determination of protein structure at interfaces is critical for understanding protein
interactions, which is directly relevant to a molecular-level understanding of interfacial …
interactions, which is directly relevant to a molecular-level understanding of interfacial …
Molecular interactions between amino silane adhesion promoter and acrylic polymer adhesive at buried silica interfaces
In this study, the influence of an amino silane (3-(2-aminoethylamino)-
propyldimethoxymethylsilane, AEAPS) on the interfacial structure and adhesion of butyl …
propyldimethoxymethylsilane, AEAPS) on the interfacial structure and adhesion of butyl …
Sum-Frequency Generation Spectroscopy of Aqueous Interfaces: The Role of Depth and Its Impact on Spectral Interpretation
Vibrational sum-frequency generation (SFG) has become a dominant technique in the study
of molecular interfaces owing to its capabilities for molecular recognition and specificity to …
of molecular interfaces owing to its capabilities for molecular recognition and specificity to …
Influence of the hydrogen-bonding environment on vibrational coupling in the electrical double layer at the silica/aqueous interface
Vibrational spectroscopy is a powerful tool for determining the local hydrogen-bonding
environment. However, vibrational coupling present in H2O makes it difficult to relate …
environment. However, vibrational coupling present in H2O makes it difficult to relate …