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A prediction model for electrical strength of gaseous medium based on molecular reactivity descriptors and machine learning method.
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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 PDFDesign, synthesis, and in vitro antitumor evaluation of novel benzimidazole acylhydrazone derivatives.
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State Key Laboratory of Green Pesticide, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang, Guizhou, 550025, People's Republic of China.
This study focuses on the design, synthesis, and evaluation of benzimidazole derivatives for their anti-tumor activity against A549 and PC-3 cells. Initial screening using the MTT assay identified compound 5m as the most potent inhibitor of A549 cells with an IC of 7.19 μM, which was superior to the positive agents 5-Fluorouracil and Gefitinib.
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Nano Converg
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Bendable Electronics and Sustainable Technologies (BEST) Group, Electrical and Computer Engineering Department, Northeastern University, Boston, MA, 02115, USA.
The intriguing way the receptors in biological skin encode the tactile data has inspired the development of electronic skins (e-skin) with brain-inspired or neuromorphic computing. Starting with local (near sensor) data processing, there is an inherent mechanism in play that helps to scale down the data. This is particularly attractive when one considers the huge data produced by large number of sensors expected in a large area e-skin such as the whole-body skin of a robot.
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Lasers Med Sci
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University of Campinas, Campinas, Brazil.
Purpose: RVVC is defined as four or more episodes of candidiasis in a 12-month period. Conventional treatment is complex and often involves long-term medication use or multiple treatments. ABL therapy is a promising treatment option as it is acceptable to women and has only rare side effects.
View Article and Find Full Text PDFMolecular Insights into the Control Mechanism of the Solid-Liquid Interface Interaction on Shale Oil Occurrence: Grand Canonical Monte Carlo and Molecular Dynamics Simulations Investigation.
Langmuir
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Hubei Key Laboratory of Oil and Gas Exploration and Development Theory and Technology (China University of Geosciences), Wuhan 430074, China.
The strong solid-liquid interaction leads to the complicated occurrence characteristics of shale oil. However, the solid-liquid interface interaction and its controls of the occurrence state of shale oil are poorly understood on the molecular scale. In this work, the adsorption behavior and occurrence state of shale oil in pores of organic/inorganic matter under reservoir conditions were investigated by using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations.
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