Temperature changes of the heat capacity and unit cell parameters of SnPBr clathrate were experimentally determined in the temperature range of 2 to 300 K. The data obtained were analyzed using Debye-Einstein approximation and taking into account the impact of both disorder in the host matrix and the presence of vacancies in the framework. Anomalous negative contribution to the thermal expansion was revealed and related to the defect mode influence on the clathrate thermal properties as a result of vibrations of two-level systems (TLS). The guest atoms that have the opportunity to occupy spatially close yet energetically non-equivalent positions in the asymmetric environment of the host matrix atoms play a principal role in the TLS formation. The results are compared with those previously obtained for semiclathrate GePSe.
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http://dx.doi.org/10.1039/c7dt01196b | DOI Listing |
J Mol Model
January 2025
Escuela Superior de Física y Matemáticas, IPN S/N, Edificio 9 de la Unidad Profesional "Adolfo López Mateos", Col. Lindavista, Alc. Gustavo A. Madero, 07738, Mexico City, Mexico.
Context: "Nanostructure of graphene-reinforced with polymethyl methacrylate" (PMMA-G), and vice versa, is investigated using its molecular structure, in the present work. The PMMA-G nanostructure was constructed by bonding PMMA with graphene nanosheet in a sense to get three different configurations. Each configuration consisted of polymeric structures with three degrees of polymerization (such as monomers, dimers, and trimers polymers, respectively).
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
State Key Laboratory of Fine Chemicals, Frontiers Science Center for Smart Materials, Dalian University of Technology, 2 Linggong Road, Dalian 116024, China.
Herein, we propose to synthesize stereoblock polythioethers through the chain shuttling enantioselective ring-opening polymerization (ROP) of thiiranes. The use of diastereoisomeric dinuclear Cr complexes with optimized steric hindrance allowed the production of polythioethers with both a head-to-tail content and isotacticity of >99%. In particular, the introduction of dithiols enabled the synthesis of stereoblock polythioethers via a chain shuttling process, thus producing sulfhydryl-telechelic polythioethers with tunable thermal properties.
View Article and Find Full Text PDFLangmuir
January 2025
School of Textile Science and Engineering, Tiangong University, Tianjin 300387, China.
Aerogels hold great potential in thermal insulation, catalytic supports, adsorption, and separation, due to their low density, high porosity, and low thermal conductivity. However, their inherent mechanical fragility and limited control functionality pose substantial challenges that hinder their practical use. In this study, a strategy is developed for the fabrication of cross-linked aramid nanofiber aerogels (cANFAs) by combining internanofiber surface cross-linking with ice-templating techniques.
View Article and Find Full Text PDFInorg Chem
January 2025
College of Chemistry and Materials Science, College of Environmental and Resource Sciences, Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering, Fujian Normal University, Fuzhou 350007, China.
The glassy state of inorganic-organic hybrid metal halides combines their excellent optoelectronic properties with the outstanding processability of glass, showcasing unique application potential in solar devices, display technologies, and plastic electronics. Herein, by tailoring the organic cation from -phenylpiperazine to dimethylamine gradually, four types of zero-dimensional antimony halides are obtained with various optical and thermal properties. The guest water molecules in crystal (-phenylpiperazine)SbCl·Cl·5HO lead to the largest distortion of the Sb-halogen unit, resulting in the red emission different from the yellow emission of other compounds.
View Article and Find Full Text PDFBMC Microbiol
January 2025
Chair of Microbiology, Jagiellonian University Medical College in Krakow, 18 Czysta Street, Cracow, 31-121, Poland.
Background: Aerobic vaginitis (AV) is a state of abnormal vaginal microbiota, which is associated with increased numbers of aerobic, enteric bacteria and inflammation of the vaginal epithelium. Anti-microbial treatment combined with anti-inflammatory therapy could be useful in the treatment of this condition. It is known that calcitriol, the active form of vitamin D, plays an important role in modulating the immune response in several inflammatory diseases.
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