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Mechanism of Radix Bupleuri and Hedysarum Multijugum Maxim drug pairs on liver fibrosis based on network pharmacology, bioinformatics and molecular dynamics simulation.
PLoS One
January 2025
School of Public Health, Anhui University of Science and Technology, Hefei, China.
A number of studies demonstrate the therapeutic effectiveness of Radix Bupleuri (RB) and Hedysarum Multijugum Maxim (HMM) in treating liver fibrosis, but the exact molecular mechanisms remain unclear. This study aims to explore the mechanism of RB-HMM drug pairs in treating liver fibrosis by using network pharmacology, bioinformatics, molecular docking, molecular dynamics simulation technology and in vitro experiments. Totally, 155 intersection targets between RB-HMM and liver fibrosis were identified.
View Article and Find Full Text PDFDiels-Alder Cycloaddition of Cyclopentadiene to C and Si and Their Endohedral Li Counterparts.
J Phys Chem A
January 2025
Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, c/Maria Aurèlia Capmany 69, 17003 Girona, Catalonia, Spain.
Both silicon and carbon are elements located in group 14 on the periodic table. Despite some similarities between these two elements, differences in reactivity are important, and whereas carbon is a central element in all known forms of life, silicon is barely found in biological systems. Here, we investigate the Diels-Alder cycloaddition reaction of cyclopentadiene (CP) and cyclopentasildiene (CP) with fullerenes C, Li@C, Si, and Li@Si using density functional theory methods.
View Article and Find Full Text PDFPhotochemical Evolution of Alanine in Association with the Martian Soil Analog Montmorillonite: Insights Derived from Experiments Conducted on the International Space Station.
Astrobiology
January 2025
Experimental Biophysics and Space Sciences, Department of Physics, Freie Universitaet Berlin, Berlin, Germany.
The (PSS) experiment was part of the European Space Agency's mission and was conducted on the International Space Station from 2014 to 2016. The PSS experiment investigated the properties of montmorillonite clay as a protective shield against degradation of organic compounds that were exposed to elevated levels of ultraviolet (UV) radiation in space. Additionally, we examined the potential for montmorillonite to catalyze UV-induced breakdown of the amino acid alanine and its potential to trap the resulting photochemical byproducts within its interlayers.
View Article and Find Full Text PDFExpansion counteraction effect assisted vanadate with rich oxygen vacancies as a high cycling stability cathode for aqueous zinc-ion batteries.
Phys Chem Chem Phys
January 2025
State Key Laboratory of Materials-Oriented Chemical Engineering and School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, P. R. China.
In this study, a novel tunnel structure vanadate NaVO (NaVO) cathode for aqueous zinc ion batteries (AZIBs) is facilely fabricated by thermal decomposition of polyoxovanadate containing NH ions. The NaVO cathode is characterized by abundant oxygen vacancies and nanometer dimensions. These attributes can offer extra reaction sites and suppress structural collapse during circulation.
View Article and Find Full Text PDFCompetition between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites.
Chemphyschem
January 2025
Utah State University, Department of Chemistry and Biochemistry, 0300 Old Main Hill, 84322-0300, Logan, UNITED STATES OF AMERICA.
A halobenzene molecule contains several sites that are capable of acting in an electron-donating capacity within a H-bond. One set of such sites comprise the lone electron pairs of the halogen (X) atoms on the periphery of the ring. The π-electron system above the ring plane can also fulfill this function in many cases.
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