In this article, we report on a Fourier transform infrared study of absorption bands belonging to small-sized water clusters formed in a continuous slit nozzle expansion of water vapor seeded in argon carrier gas. Clear signatures of free and H-bonded OH vibrations in water aggregates from dimer to pentamer are seen in our spectra. Following an increase in argon backing pressure, the position of the cluster absorption bands varies from those characteristics of isolated water aggregates in the gas phase to those known for clusters trapped in a static argon matrix. These variations can be interpreted in terms of sequential solvation of the water clusters by an increasing number of argon atoms attached to water clusters. Our measured spectra are in good agreement with those obtained previously either for free or Ar coated small-sized water clusters using pulsed slit-jet expansions. Our results are equally in accord with those originating from a variety of tunable laser based techniques using molecular beams or free jets or from the study of water aggregates embedded in rare gas matrices. Distinctions are reported, however, and discussed. Ab initio calculations have made it possible to speculate on the average size of an argon solvation shell around individual clusters as well as on the development of the OH stretch vibrational shifts in mixed (H(2)O)(m)Ar(n) clusters having different compositions and architectures.
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http://dx.doi.org/10.1063/1.3264576 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry, Birla Institute of Technology and Science, Pilani, Pilani Campus, Rajasthan 333031, India.
The behavior of water in concentrated ionic solutions, including supersaturated conditions, is crucial for numerous material and energy conversion processes and fundamental research. All electrolytes whether they "structure-make" or "structure-break" the water structure lead to slower water motion. This study investigates the structure and dynamics of aqueous NaCl solutions across a wide range of concentrations.
View Article and Find Full Text PDFAntonie Van Leeuwenhoek
January 2025
Department of Marine Science and Technology, Fukui Prefectural University, Obama, Fukui, 917-0003, Japan.
A novel aerobic marine bacterium, FRT2, isolated from surface water of a fishing port in Fukui, Japan, was characterised based on phylogenomic and phylogenetic analyses combined with classical phenotypic and chemotaxonomic characterisations. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain FRT2 clustered with genus Leeuwenhoekiella. Closest relatives of FRT2 were Leeuwenhoekiella palythoae KMM 6264 and Leeuwenhoekiella nanhaiensis G18 with 16S rRNA gene sequence identities of 95.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA.
The Effective Fragment Potential (EFP) method, a polarizable quantum mechanics-based force field for describing non-covalent interactions, is utilized to calculate protein-ligand interactions in seven inactive cyclin-dependent kinase 2-ligand complexes, employing structural data from molecular dynamics simulations to assess dynamic and solvent effects. Our results reveal high correlations between experimental binding affinities and EFP interaction energies across all the structural data considered. Using representative structures found by clustering analysis and excluding water molecules yields the highest correlation (R2 of 0.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Nature and Environment, Faculty of Liberal Arts, The Open University of Japan, Chiba 261-8586, Japan.
In this work, we study the plexciton in the far-ultraviolet region formed between indium nanoclusters and water molecules. The indium clusters are fabricated on graphene under ultrahigh vacuum conditions and show a strong localized surface plasmon polariton (LSP) absorption band at 6-7 eV. Adsorption of water molecules onto the clusters at 115 K induces a band splitting larger than 1 eV, indicating a strong coupling between the LSP and water 4a ← 1b transition.
View Article and Find Full Text PDFInfect Prev Pract
March 2025
Norwegian National Advisory Unit on Detection of Antimicrobial Resistance, Department of Microbiology and Infection Control, University Hospital of North Norway, Tromsø, Norway.
Background: Nosocomial outbreaks with multidrug-resistant bacteria with a probable reservoir in hospital toilets and drainage systems have been increasingly reported.
Aim: To investigate an increase in bacteraemia with extended-spectrum β-lactamase (ESBL)-producing at our hospital in 2021; the epidemiology of the outbreak suggested an environmental source.
Methods: Available clinical isolates from patient with infection or rectal carriage from 2019 to 2022 were collected.
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