The efficient synthesis of an 80-member library of unique benzoxathiazocine 1,1-dioxides by a microwave-assisted, intermolecular nucleophilic aromatic substitution (S(N)Ar) diversification pathway is reported. Eight benzofused sultam cores were generated by means of a sulfonylation/S(N)Ar/Mitsunobu reaction pairing protocol, and subsequently diversified by intermolecular S(N)Ar with ten chiral, non-racemic amine/amino alcohol building blocks. Computational analyses were employed to explore and evaluate the chemical diversity of the library.
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http://dx.doi.org/10.3762/bjoc.8.147 | DOI Listing |
Sci Rep
December 2024
School of Public Health, Chongqing Medical University, 1 Yixueyuan Road, Yuzhong District, Chongqing, 400016, China.
The study aims to address the critical issue of toxic side effects resulting from drug combinations, which can significantly increase health risks, clinical complications, and lead to drug being withdrawn from the market. A model named TSEDDI (toxic side effects of drug-drug interaction) has been developed to improve the identification of drug pairs that may induce toxicity or adverse reactions. By utilizing drug chemical structures and diverse proteins, we employ a convolutional neural network (CNN) to extract features from molecular images, enzyme proteins, transporter proteins, and target proteins.
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December 2024
Germplasm Bank of Wild Species & Yunnan Key Laboratory for Fungal Diversity and Green Development, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, 650201, China.
Continuous cropping obstacle has been becoming the bottleneck for the stable development of morel cultivation. The allelopathic effect of soil allelochemicals may play an instrumental role in the morel soil sickness. In this study, the allelochemicals were identified by gas chromatography-mass spectrometry (GC-MS) combined with in vitro bioassay.
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December 2024
Winogradsky Institute of Microbiology Federal Research Center Fundamentals of Biotechnology Russian Academy of Sciences, 60 let Oktyabrya Prospect, 7 Build.2, Moscow, Russia.
The Kuril Islands are located in the Far-East of Russia and enriched with shallow and terrestrial hot springs. Prokaryotic diversity of Kuril geothermal environments has been studied fragmentarily and mainly by culture-dependent methods. We performed the first large-scale investigation of microbial communities, inhabited more than 30 terrestrial hot springs of Kunashir and Iturup Islands, analyzed by 16S rRNA gene fragment amplicon sequencing, together with chemical analysis of thermal waters and sediments.
View Article and Find Full Text PDFBiotechnol Adv
December 2024
Department of Food Science and Biotechnology, Ewha Womans University, 52 Ewhayeodae-gil, Seodaemun-Gu, Seoul 03760, Republic of Korea.
The selective oxyfunctionalization of unsaturated fatty acids is difficult in chemical reactions, whereas regio- and stereoselective oxyfunctionalization is often performed in biocatalytic synthesis. Fatty acid oxygenases, including hydratases, lipoxygenases, dioxygenases, diol synthases, cytochrome P450 monooxygenases, peroxygenases, and 12-hydroxylases, are used to convert C16 and C18 unsaturated fatty acids to diverse regio- and stereoselective mono-, di-, and trihydroxy fatty acids via selective oxyfunctionalization. The formed hydroxy fatty acids or hydroperoxy fatty acids are metabolized to industrially important oxygenated chemicals such as lactones, green leaf volatiles, and bioplastic monomers, including ω-hydroxy fatty acids, α,ω-dicarboxylic acids, and fatty alcohols, by biocatalysts.
View Article and Find Full Text PDFInt J Biol Macromol
December 2024
International and Inter-University Centre for Nanoscience and Nanotechnology (IIUCNN), Mahatma Gandhi University, Kottayam, Kerala 686 560, India; School of Energy Materials, Mahatma Gandhi University, Kottayam, Kerala 686560, India; School of Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam, Kerala 686560, India; Department of Chemical Sciences, University of Johannesburg, P.O.Box 17011, Doornfontein, 2028 Johannesburg, South Africa; Trivandrum Engineering, Science and Technology (TrEST) Research Park, Trivandrum 695016, India. Electronic address:
Cellulose paper-based composites represent a promising and sustainable alternative for electromagnetic interference (EMI) shielding applications. Derived from renewable and biodegradable cellulose fibers, these composites are enhanced with conductive fillers namely carbon nanotubes, graphene, or metallic nanoparticles, achieving efficient EMI shielding while maintaining environmental friendliness. Their lightweight, flexible nature, and mechanical robustness make them ideal for diverse applications, including wearable electronics, flexible circuits, and green electronics.
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