The part, displayed by the solvatation of the solute in 2 solvents with witch log P is determined, is studied by 2 indirect process. They consist to test some QSAR where the corresponding chemical potentials are effective but with different weighs than in log P. The results obtained with barbiturics confirm the importance of the couple water/n-octanol and show that taking account of two partitionning process can improve the significativity of the QSAR.
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Ecotoxicol Environ Saf
January 2025
State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China. Electronic address:
Honeybees, essential pollinators for maintaining biodiversity, are experiencing a sharp population decline, which has become a pressing environmental concern. Among the factors implicated in this decline, neonicotinoid pesticides, particularly those belonging to the fourth generation, have been the focus of extensive scrutiny due to their potential risks to honeybees. This study investigates the molecular basis of these risks by examining the binding interactions between Apis mellifera L.
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January 2025
College of Bioscience and Biotechnology, Hunan Agricultural University, Changsha 410128, China; Yuelushan Laboratory, Changsha 410125, China. Electronic address:
Soil heavy metal pollution presents substantial risks to food security and human health. This study focused on the efficiency of plant growth-promoting fungus-Beauveria bassiana FE14 and Miscanthus floridulus on the synergistic remediation of soil Cd contamination. Results revealed that B.
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January 2025
College of Traditional Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China. Electronic address:
This study aimed to investigate the potential protective properties of a traditional Chinese medicine (TCM) herbal product, Siraitia grosvenorii granules (SGG) against PM2.5-induced lung injury, as well as their active constituents and underlying mechanisms. The chemical composition of SGG, such as wogonin (MOL000173), luteolin (MOL000006), nobiletin (MOL005828), naringenin (MOL004328), acacetin (MOL001689), were identified via ultra-high-performance liquid chromatography-Q Exactive (UHPLC-QE) Orbitrap/MS.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 201203, People's Republic of China.
In recent decades, covalent inhibitors have emerged as a promising strategy for therapeutic development, leveraging their unique mechanism of forming covalent bonds with target proteins. This approach offers advantages such as prolonged drug efficacy, precise targeting, and the potential to overcome resistance. However, the inherent reactivity of covalent compounds presents significant challenges, leading to off-target effects and toxicities.
View Article and Find Full Text PDFInorg Chem
January 2025
Department of Chemistry, University of Patras, Patras 265 04, Greece.
A new [DyBiOCl(saph)] () Werner-type cluster has been prepared, which is the first Dy/Bi polynuclear compound with no metal-metal bond and one of the very few Ln-Bi (Ln = lanthanide) heterometallic complexes reported to date. The molecular compound has been deliberately transformed to its 1-D analogue [DyBiO(N)(saph)] () via the replacement of the terminal Cl ions by end-to-end bridging N groups. The overall metallic skeleton of (and ) can be described as consisting of a diamagnetic {Bi} unit with an elongated trigonal bipyramidal topology, surrounded by a magnetic {Dy} equilateral triangle, which does not contain μ-oxo/hydroxo/alkoxo groups.
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