The photochemistry of SO at the air-water interface of water droplets leads to the formation of HOSO radicals. Using first-principles simulations, we show that HOSO displays an unforeseen strong acidity (p = -1) comparable with that of nitric acid and is fully dissociated at the air-water interface. Accordingly, this radical might play an important role in acid rain formation. Potential implications are discussed.
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http://dx.doi.org/10.1021/jacs.9b07912 | DOI Listing |
Langmuir
January 2025
Departamento de Química, Catedra de Química Biológica, Facultad de Ciencias Exactas, Físicas y Naturales, Universidad Nacional de Córdoba, Córdoba 5000, Argentina.
The present work focuses on one of the possible target mechanisms of action of the anionic antimicrobial peptide β-lg derived from trypsin hydrolysis of β-lactoglobulin. After confirmation of bactericidal activity against a pathogenic Gram(+) strain and demonstration of the innocuousness on a eukaryotic cell line, we investigated the interaction of β-lg with monolayers and bilayers of dpPC and dpPC:dpPG as model membranes of eukaryotic and bacterial membranes, respectively. In monolayers, compared to zwitterionic dpPC, in the negatively charged dpPC-dpPG, β-lg injected into the subphase penetrated up to higher surface pressures and showed greater extents of penetration with increasing concentration in the subphase.
View Article and Find Full Text PDFSoft Matter
January 2025
Biophysical Chemistry Laboratory, Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India.
The adsorption and aggregation of amphiphiles at different solvent interfaces are of great scientific and technological importance. In this study, interfacial tension measurements of surface-active compounds-ionic liquid 2-dodecyl-2,2dimethylethanolammonium bromide (12Cho.Br) and cationic surfactant cetyltrimethylammonium bromide (CTAB)-were conducted both in the absence and presence of ciprofloxacin (CIP).
View Article and Find Full Text PDFMethods Mol Biol
January 2025
Department of Medical Physiology, Texas A&M University, Bryan, TX, USA.
The ability to add bioactivities, such as cell signaling or ligand recognition, to biomaterials has generated the potential to include multiple bioactivities into a single material. In some cases, it is desirable to localize these activities to different areas of the biomaterial, creating functional patterns. While photolithography and 3D printing have been effective techniques for patterning functions in many materials, patterning remains a challenge in materials composed of protein, in part due to how these materials are artificially assembled.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215, USA.
The computational spectroscopy of water has proven to be a powerful tool for probing the structure and dynamics of chemical systems and for providing atomistic insight into experimental vibrational spectroscopic results. However, such calculations have been limited for biochemical systems due to the lack of empirical vibrational frequency maps for the TIP3P water model, which is used in many popular biomolecular force fields. Here, we develop an empirical map for the TIP3P model and evaluate its efficacy for reproducing the experimental vibrational spectroscopy of water.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
Department of Physics, School of Natural Sciences, Shiv Nadar Institution of Eminence, NH91, Tehsil Dadri, G. B. Nagar, Uttar Pradesh 201314, India.
Graphene and its derivatives, such as graphene oxide (GO) and reduced graphene oxide (rGO), have propelled advancements in biosensor research owing to their unique physicochemical and electronic characteristics. To ensure their safe and effective utilization in biological environments, it is crucial to understand how these graphene-based nanomaterials (GNMs) interact with a biological milieu. The present study depicts GNM-induced structural changes in a self-assembled phospholipid monolayer formed at an air-water interface that can be considered to represent one of the leaflets of a cellular membrane.
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