Inelastic neutron scattering data from liquid DF close to the melting point show, in addition to spectra comprising quasielastic and heavily damped acoustic motions, an intense, nondispersive band centered at about 27 meV along with a broader higher energy feature. Observation of the former band provides the first direct verification of the existence within the liquid state of collective opticlike excitations as predicted by molecular dynamics simulations. The latter corresponds to mainly reorientational motions assigned from mode eigenvector analysis carried out by computer simulations.
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http://dx.doi.org/10.1103/PhysRevLett.96.235501 | DOI Listing |
J Am Chem Soc
January 2025
Department of Chemistry, Institute for Advanced Materials and Manufacturing, University of Tennessee, Knoxville, Tennessee 37996, United States.
Porous liquids have traditionally been designed with sterically hindered solvents. Alternatively, recent efforts rely on dispersing microporous frameworks in simpler solvents like water. Here we report a unique strategy to construct macroporous water by selectively incorporating hydrophilicity on the surfaces of hydrophobic hollow carbon spheres (HCS).
View Article and Find Full Text PDFNanoscale
January 2025
Department of Biomedical Engineering, Southern University of Science and Technology, Shenzhen 518055, China.
The highly anisotropic and nonadditive nature of nanoparticle surfaces restricts their characterization by limited types of techniques that can reach atomic or molecular resolution. While small-angle neutron scattering (SANS) is a unique tool for analyzing complex systems, it has been traditionally considered a low-resolution method due to its limited scattering vector range and wide wavelength spread. In this article, we present a novel perspective on SANS by showcasing its exceptional capability to provide molecular-level insights into nanoparticle interfaces.
View Article and Find Full Text PDFChem Sci
December 2024
College of Science, Engineering and Environment, University of Newcastle Callaghan NSW 2308 Australia.
The inductive effect is a central concept in chemistry and is often exemplified by the p values of acetic acid derivatives. The reduction in p is canonically attributed to the reduction in the electron density of the carboxylate group through the inductive effect. However, wave functional theory calculations presented herein reveal that the charge density of the carboxylate group is not explained by the inductive effect.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technická 5, 166 28, Prague 6, Czech Republic.
Bulk properties of two-phase systems comprising methane and liquid p-xylene were derived experimentally using neutron imaging and theoretically predicted using molecular dynamics (MD). The measured and predicted methane diffusivity in the liquid, Henry's law constant, apparent molar volume, and surface tension compared well within the experimentally studied conditions (273.15 to 303.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, Ohio 45220, United States.
Solvent toxicity limits -butanol fermentation titer, increasing the cost and energy consumption for subsequent separation processes and making biobased production more expensive and energy-intensive than petrochemical approaches. Amphiphilic solvents such as -butanol partition into the cell membrane of fermenting microorganisms, thinning the transverse structure, and eventually causing a loss of membrane potential and cell death. In this work, we demonstrate the deleterious effects of -butanol partitioning upon the lateral dimension of the membrane structure, called membrane domains or lipid rafts.
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