Sum-frequency vibrational spectroscopy was used to study the protonated R-plane (1102) sapphire surface. The OH stretch vibrational spectra show that the surface is terminated with three hydroxyl moieties, two from AlOH(2) and one from Al(2)OH functional groups. The observed polarization dependence allows determination of the orientations of the three OH species. The results suggest that the protonated sapphire (1102) surface differs from an ideal stoichiometric termination in a manner consistent with previous X-ray surface diffraction (crystal truncation rod) studies. However, in order to best explain the observed hydrogen-bonding arrangement, surface oxygen spacing determined from the X-ray diffraction study requires modification.
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http://dx.doi.org/10.1021/ja104042u | DOI Listing |
Nanophotonics
January 2025
Institute of Physics, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015 Lausanne, Switzerland.
Sum-frequency generation (SFG) enables the coherent upconversion of electromagnetic signals and plays a significant role in mid-infrared vibrational spectroscopy for molecular analysis. Recent research indicates that plasmonic nanocavities, which confine light to extremely small volumes, can facilitate the detection of vibrational SFG signals from individual molecules by leveraging surface-enhanced Raman scattering combined with mid-infrared laser excitation. In this article, we compute the degree of second order coherence ( (0)) of the upconverted mid-infrared field under realistic parameters and accounting for the anharmonic potential that characterizes vibrational modes of individual molecules.
View Article and Find Full Text PDFACS Nano
January 2025
Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.
The structure and dynamics of water at charged graphene interfaces fundamentally influence molecular responses to electric fields with implications for applications in energy storage, catalysis, and surface chemistry. Leveraging the realism of the MB-pol data-driven many-body potential and advanced path-integral quantum dynamics, we analyze the vibrational sum frequency generation (vSFG) spectrum of graphene/water interfaces under varying surface charges. Our quantum simulations reveal a distinctive dangling OH peak in the vSFG spectrum at neutral graphene, consistent with recent experimental findings yet markedly different from those of earlier studies.
View Article and Find Full Text PDFChembiochem
January 2025
Southeast University, School of Biological Science and Medical Engineering, 2 Sipailou, Xuanwu District, 210096, Nanjing, CHINA.
In recent years, antimicrobial peptides (AMPs) have emerged as a potent weapon against the growing threat of antibiotic resistance. Among AMPs, the ones containing tryptophan (W) and arginine (R) exhibit enhanced antimicrobial properties, benefiting from the unique physicochemical features of the two amino acids. Herein, we designed three hexapeptides, including WR, DWR (D-isomer), and RF, derived from the original sequence, RWWRWW-NH2 (RW).
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
School of Rare Earths, University of Science and Technology of China, Hefei 230026, China.
Achieving ultrahigh permeance and superoleophobicity is crucial for membrane application. Here, we demonstrated that a poly(ionic liquid)/PES hydrogel membrane can achieve dual goals. The high polarity of the ionic liquids induces the water molecules on the membrane surface to be arranged more ordered, as verified by molecular dynamics (MD) simulation and advanced femtosecond sum frequency generation (SFG) vibrational spectroscopy.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Chemistry, University of Michigan, 930 North University Avenue Ann Arbor, Michigan 48103, United States.
Poly(dimethylsiloxane) (PDMS) materials have been widely researched and applied as fouling-release coatings. Incorporation of silicone oils into PDMS has been shown to improve the antifouling properties of PDMS materials. In this research, we applied sum frequency generation (SFG) vibrational spectroscopy to study PDMS materials incorporated with various silicone oils containing phenyl groups in air, water, and protein solutions.
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