We report herein an effective method for the halogenation of imidazo-fused heterocycles using readily available sodium salts (NaCl/NaBr/NaI) as halogen source and KSO (or) oxone as promoter. A variety of C-3 halogenated imidazo[1,2- a]pyridines and benzo[d]imidazo[2,1- b]thiazoles were obtained in good to excellent yields. The present method of halogenation has been also extended to 2-aminopyridines, 2-aminopyrimidine, indole, and isoquinoline with moderate to excellent yields.
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http://dx.doi.org/10.1021/acs.joc.8b02637 | DOI Listing |
Talanta
January 2025
Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland. Electronic address:
An idea of using ion-exchanger salt containing optically active cations to prepare ion-selective membranes is proposed. Although the presence of an ion-exchanger in the composition of neutral ionophore based sensors is necessary, the choice of available salts for cation-selective sensors preparation, is usually limited to sodium or potassium compounds. In this work we propose application of an alternative salt, using a cation optically active both in absorption and emission mode as a mobile one.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Sorbonne Université, CNRS, Physicochimie des Électrolytes et Nanosystèmes Interfaciaux, F-75005 Paris, France.
We developed a systematic polarizable force field for molten trivalent rare-earth chlorides, from lanthanum to europium, based on first-principle calculations. The proposed model was employed to investigate the local structure and physicochemical properties of pure molten salts and their mixtures with sodium chloride. We computed densities, heat capacities, surface tensions, viscosities, and diffusion coefficients and disclosed their evolution along the lanthanide series, filling the gaps for poorly studied elements, such as promethium and europium.
View Article and Find Full Text PDFGreen Chem
December 2024
KU Leuven, Department of Chemistry Celestijnenlaan 200F P.O. box 2404 B-3001 Leuven Belgium
In order to comply with the expected tightening of discharge limits for lithium to surface waters, the lithium-ion battery industry will need access to methods to reduce the concentration of lithium in wastewater down to ppm levels. In this Communication, we discuss the possibility of using sodium and choline soaps as precipitating agents for lithium, comparing the two soap classes and probing the influence of the carbon chain length. It was found that lithium concentrations down to 10 ppm can be reached with sodium stearate, and down to 1 ppm with choline stearate, using a slight excess of the precipitating agent.
View Article and Find Full Text PDFJ Chem Phys
January 2025
School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551, Singapore.
Eukaryotic DNA is packaged in the cell nucleus into chromatin, composed of arrays of DNA-histone protein octamer complexes, the nucleosomes. Over the past decade, it has become clear that chromatin structure in vivo is not a hierarchy of well-organized folded nucleosome fibers but displays considerable conformational variability and heterogeneity. In vitro and in vivo studies, as well as computational modeling, have revealed that attractive nucleosome-nucleosome interaction with an essential role of nucleosome stacking defines chromatin compaction.
View Article and Find Full Text PDFMolecules
December 2024
Department of Chemical and Pharmaceutical Engineering, Faculty of Chemistry and Pharmacy, University of Sofia, 1164 Sofia, Bulgaria.
Micelles formed by bile salts in aqueous solution are important for the solubilization of hydrophobic molecules in the gastrointestinal tract. The molecular level information about the mechanism and driving forces for primary-to-secondary micelle transition is still missing. In the current study, the micelle formation of 50 mM solutions of taurodeoxycholate (TDC) is studied by atomistic molecular dynamics simulations.
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