Quantitative structure-activity relationships (QSARs) were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, linear solvation energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy.
Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
Discovery of anti-phytopathogenic fungal activity of a new type of ()-coumarin bearing a phenylpropanoid unit at the 3-position.
J Pestic Sci
November 2024
Graduate School of Agriculture, Ehime University.
The enantiospecific anti-phytopathogenic fungal activity of a new type of coumarin bearing a phenylpropanoid unit at the 3-position was found. ()-3-[1-Methoxy-3-(4-methoxyphenyl)prop-2-yl]coumarin (()-: EC=16.5 µM) was 30 times more effective than the ()-form against the Japanese pear pathotype.
View Article and Find Full Text PDFEvaluation of acute plant toxicity, antioxidant activity, molecular docking and bioactive compounds of lemongrass oil isolated from Omani cultivar.
Toxicol Rep
June 2025
School of Pharmacy, College of Health Sciences, University of Nizwa, Oman.
Lemongrass (Poaceae) is one of the aromatic plants with strong odors. Traditionally, lemon grass oil has been used for the treatment of many diseases such as gastrointestinal cramps, high blood pressure, high body temperatures, and fatigue, and is also considered an antibacterial and anti-diarrheal agent. Therefore, this study aims to investigate volatile active constituents and a few important biological activities of the volatile oil of lemongrass (Cymbopogon citratus) grown in Oman.
View Article and Find Full Text PDFMetagenomic analysis of pristine oil sheds new light on the global distribution of microbial genetic repertoire in hydrocarbon-associated ecosystems.
Microlife
January 2025
Environmental Metagenomics, Research Center One Health Ruhr of the University Alliance Ruhr, Faculty of Chemistry, University of Duisburg-Essen, 45141 Essen, Germany.
Oil reservoirs are society's primary source of hydrocarbons. While microbial communities in industrially exploited oil reservoirs have been investigated in the past, pristine microbial communities in untapped oil reservoirs are little explored, as are distribution patterns of respective genetic signatures. Here, we show that a pristine oil sample contains a complex community consisting of bacteria and fungi for the degradation of hydrocarbons.
View Article and Find Full Text PDFMolecular docking-guided in-depth investigation of the biological activities and phytochemical and mineral profiles of endemic Phlomis capitata.
J Sci Food Agric
January 2025
Bee and Natural Products R&D and P&D Application and Research Center, Bingöl University, Bingöl, Turkey.
Background: Phlomis capitata is an endemic species of flowering aromatic and medicinal plant in the family Lamiaceae, native to regions of the Mediterranean and nearby areas. Understanding the chemical compounds present in P. capitata can reveal potential medicinal properties.
View Article and Find Full Text PDFThe Electrochemical Iodination of Electron-Deficient Arenes.
Angew Chem Int Ed Engl
January 2025
Institut für Chemie, Carl von Ossietzky Universität Oldenburg, Carl-von-Ossietzky-Straße 9-11, 26129, Oldenburg, Germany.
The iodination of electron-deficient arenes and heteroarenes is a long-standing problem in organic synthesis. Herein we describe the electrochemical iodination in nitromethane with BuNI as iodine source and supporting electrolyte under Lewis acid-free conditions in the presence of small amounts of chloride anions. The electrochemically generated reagent could be applied for the iodination of halogenated arenes, aromatic aldehydes, acids, esters, ketones, as well as nitroarenes to afford the products in good to excellent yields.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!