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A prediction model for electrical strength of gaseous medium based on molecular reactivity descriptors and machine learning method.
J Mol Model
January 2025
Hubei Key Laboratory·for High-Efficiency-Utilization of Solar Energy and Operation, Control of Energy-Storage System, Hubei-University of Technology, Wuhan, 430068, China.
Context: Ionization and adsorption in gas discharge are similar to electrophilic and nucleophilic reactions. The molecular descriptors characterizing reactions such as electrostatic potential descriptors are useful in predicting the electrical strength of environmentally friendly gases. In this study, descriptors of 73 molecules are employed for correlation analysis with electrical strength.
View Article and Find Full Text PDFBackbone resonance assignments of PhoCl, a photocleavable protein.
Biomol NMR Assign
January 2025
High Magnetic Field Laboratory, Key Laboratory of High Magnetic Field and Ion Beam Physical Biology, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei, Anhui, China.
PhoCl is a photocleavable protein engineered from a green-to-red photoconvertible fluorescent protein by circular permutation, and has been used in various optogenetic applications including precise control of protein localization and activity in cells. Upon violet light illumination, PhoCl undergoes a β-elimination reaction to be cleaved at the chromophore, resulting in spontaneous dissociation into a large empty barrel and a small C-terminal peptide. However, the structural determinants and the mechanism of the PhoCl photocleavage remain elusive, hindering the further development of more robust photocleavable optogenetic tools.
View Article and Find Full Text PDFMolecular mechanism of osteoclast differentiation of PBMC in patients with rheumatoid arthritis.
Clin Rheumatol
January 2025
Guizhou University of Traditional Chinese Medicine, Guiyang, Guizhou Province, China.
Objective: Rheumatoid arthritis (RA) is an autoimmune condition that causes severe joint deformities and impaired functionality, affecting the well-being and daily life of individuals. Consequently, there is a pressing demand for identifying viable therapeutic targets for treating RA. This study aimed to explore the molecular mechanisms of osteoclast differentiation in PBMC from patients with RA through transcriptome sequencing and bioinformatics analysis.
View Article and Find Full Text PDFExogenous melatonin and grafting improved the growth and physiological characteristics of Citrullus lanatus seedlings under cadmium stress.
Environ Sci Pollut Res Int
January 2025
College of Horticulture and Landscape Architecture, Tianjin Agricultural University, Tianjin, 300392, China.
Citrullus lanatus is an important vegetable crop, but it is heavily polluted by cadmium. In this study, we used C. Lanatus as experimental material to investigate effects of different concentrations (0, 50, 100, 200, 400 µmolL) of exogenous melatonin, and grafting on the physiological growth index and anatomical structure of seedlings were studied by simulating Cd (180 mg L) stress environment.
View Article and Find Full Text PDFData-Driven Discovery of High-Performance Heterobilayer Transition Metal Dichalcogenide-Based Sliding Ferroelectrics.
ACS Appl Mater Interfaces
January 2025
Department of Mechanical Engineering, National University of Singapore, Singapore 117575, Singapore.
The development of efficient sliding ferroelectric (FE) materials is crucial for advancing next-generation low-power nanodevices. Currently, most efforts focus on homobilayer two-dimensional materials, except for the experimentally reported heterobilayer sliding FE, MoS/WS. Here, we first screened 870 transition metal dichalcogenide (TMD) bilayer heterostructures derived from experimentally characterized monolayer TMDs and systematically investigated their sliding ferroelectric behavior across various stacking configurations using high-throughput calculations.
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