A theoretical formalism for neutron scattering from systems of particles is applied to liquid nanodroplet aerosols. A term arising from intraparticle, intermolecular correlations is identified. The kinematical theory of two body scattering is recast into a form convenient for interpreting the results of experiments with crossed beams of neutrons and aerosol particles. Based on a theoretical analysis of the scattered intensity in the Guinier region, a method for determining the particle velocity directly from the experimental data is outlined. The method is not restricted by assumptions about particle shape, composition, uniformity, or size distribution.
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IUCrJ
March 2025
Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, 02-093 Warsaw, Poland.
Quantum crystallography methods have been employed to investigate complex formation between nonsteroidal anti-inflammatory drugs (NSAIDs) and cyclooxygenase (COX) enzymes, with particular focus on the COX-1 and COX-2 isoforms. This study analyzed the electrostatic interaction energies of selected NSAIDs (flurbiprofen, ibuprofen, meloxicam and celecoxib) with the active sites of COX-1 and COX-2, revealing significant differences in binding profiles. Flurbiprofen exhibited the strongest interactions with both COX-1 and COX-2, indicating its potent binding affinity.
View Article and Find Full Text PDFAcc Mater Res
January 2025
Department of Chemistry, University of Manchester, Manchester M13 9PL, U.K.
Methane (CH), which is the main component of natural gas, is an abundant and widely available carbon resource. However, CH has a low energy density of only 36 kJ L under ambient conditions, which is significantly lower than that of gasoline (. 34 MJ L).
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
State Key Laboratory of Organic-Inorganic Composites, College of Life Science and Technology, Beijing University of Chemical Technology, No. 15 East Road of North Third Ring Road, Chao Yang District, Beijing 100029, China. Electronic address:
A comprehensive study was conducted to determine the effects of water and ethylene glycol (EG) on biomass pretreatment using a binary deep eutectic solvent (DES) containing choline chloride and acetic acid (1ChCl3AC) at a mole ratio of 1:3. Different quantities of water and EG were combined with 1ChCl3AC to pretreat wheat straw, miscanthus, eucalyptus, and sorghum stalk at 130 °C for 6 h. The changes in nanopore structure and surface roughness of wet biomass, as well as biomass crystallinity after 1ChCl3AC-based pretreatment were investigated using XRD and small-angle neutron scattering (SANS).
View Article and Find Full Text PDFLangmuir
January 2025
Institute of Chemical Technology and Engineering, Faculty of Chemical Technology, Poznan University of Technology, ul. Berdychowo 4, PL 60-965 Poznan, Poland.
Despite extensive research on the use of salts to enhance micellar growth, numerous questions remain regarding the impact of ionic exchange and molecular structure on charge neutralization. This study looks into how certain cations (Na, Ca, and Mg) affect the structure of a cocamidopropyl betaine CAPB and sodium dodecylbenzenesulfonate SDBS surfactant mixture, aiming toward applications in targeted delivery systems. The mixture consists of a zwitterionic surfactant, cocamidopropyl betaine (CAPB), and an anionic surfactant, sodium dodecylbenzenesulfonate (SDBS), combined in varying molar ratios at a total concentration of 200 mM.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Johns Hopkins University, Institute for Quantum Matter and Department of Physics and Astronomy, Baltimore, Maryland 21218, USA.
The tetragonal heavy-fermion superconductor CeRh_{2}As_{2} (T_{c}=0.3 K) exhibits an exceptionally high critical field of 14 T for B∥c. It undergoes a field-driven first-order phase transition between superconducting states, potentially transitioning from spin-singlet to spin-triplet superconductivity.
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