A sugar-based photoresponsive supergelator, N-glycosylazobenzene that shows selective gelation of aromatic solvents is described. The partial trans-cis isomerization of the azobenzene moiety allows photoinduced chopping of the entangled gel fibers to short fibers, resulting in controlled fiber length and gel-sol transition. The gelator is useful for the selective removal of toxic aromatic solvents from water.
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Sci Rep
January 2025
Department of Applied Chemistry, Faculty of Engineering, University of Miyazaki, 1-1 Nishi, Gakuen-Kibanadai, Miyazaki, 889-2192, Japan.
The ligand-docking behavior of hevein, the major latex protein from the rubber tree Hevea brasiliensis (Euphorbiaceae), has been investigated by the unguided molecular dynamics (MD) simulation method. An oligosaccharide molecule, initially placed in an arbitrary position, was allowed to move around hevein for a prolonged simulation time, on the order of microseconds, with the expectation of spontaneous ligand docking of the oligosaccharide molecule to the binding site of hevein. In the binary solution system consisting of a hevein molecule and a chito-trisaccharide (GlcNAc) molecule, three out of the six separate simulation runs successfully reproduced the complex structure of the observed binding from.
View Article and Find Full Text PDFChemistry
January 2025
Jadavpur University, Chemistry, 188 Raja S. C. Mallick Road, 700032, Kolkata, INDIA.
Two π-radical complexes containing bisazo-aromatic-centered radical anion (1•-) were synthesized through in-situ electron transfer from metal-to-ligand using [IrI] and 2-(2-Pyridylazo)azobenzene (1) in inert hydrocarbon solvent. These are characterized as diradical [IrIII(1•-)2]+[2]+ and monoradical [IrIII(1•-)Cl2(PPh3)] 3. In contrast, a rare metal-mediated hydrolytic cleavage of the C(sp2)-N bond occurred in protic solvent resulting in quaternary radical complex [IrIII(1•-)(1')(PPh3)]+(4)+.
View Article and Find Full Text PDFJ Org Chem
January 2025
School of Chemical and Environmental Engineering, Anhui Polytechnic University, Wuhu 241000, PR China.
-Iodosuccinimide-promoted cascade reactions of arylidene isoxazolones with amidines in -xylene were accomplished, affording 5-acylimidazoles in good to excellent yields. Interestingly, when the reactions were performed by employing acetonitrile as the solvent, 4-acylimidazoles were efficiently obtained. Mechanistic studies indicate that the formation of imidazolyl and acyl moieties may undergo a spiroannulation-ring opening aromatization-hydrolysis cascade reaction sequence.
View Article and Find Full Text PDFJ Mol Model
January 2025
Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province, Chengdu University of Technology, Chengdu, People's Republic of China.
Context: The study of the influence of solvent on 1-bromo adamantane (BAD) exposes prominent solvatochromatic shifts in the optical absorbance and substantial solvent effects on the electronic structure. This facilitates the molecular probe abilities for the BAD with respect to the surrounding environments such as dielectric constant and polarity. BAD exhibits positive solvatochromism for nonpolar solvents and negative solvatochromatic shifts for polar and aromatic solvents.
View Article and Find Full Text PDFPlant J
January 2025
Unit of Aromatic and Medicinal Plants, Newe Ya'ar Research Center, Volcani Institute, Ramat-Yishay, Israel.
Basil, Ocimum basilicum L., is a widely cultivated aromatic herb, prized for its culinary and medicinal uses, predominantly owing to its unique aroma, primarily determined by eugenol for Genovese cultivars or methyl chavicol for Thai cultivars. To date, a comprehensive basil reference genome has been lacking, with only a fragmented draft available.
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