3,4-Bisthiolated pyrroles constitute key cores in pyrrole-based semiconductors, and their electronic properties could be improved by the bisthio groups via the -effect. Herein, a convenient method for the synthesis of 3,4-bisthiolated pyrroles has been developed through the AlCl-catalyzed thiolation/cyclization of homopropargylic azides, and cyclic voltammetry and DFT calculations indicated that the desired 3,4-bisthiolated pyrroles had higher HOMO orbital energies and lower band gaps than the parent unsubstituted 2,5-diphenylpyrrole.
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http://dx.doi.org/10.1021/acs.joc.1c02269 | DOI Listing |
ACS Infect Dis
January 2025
Pharmaceutical Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Pilani Campus, Pilani, Vidya Vihar 333031, (RJ) India.
Antimicrobial drug resistance is a significant global health challenge, causing hundreds of thousands of deaths annually and severely impacting healthcare systems worldwide. Several reported antimicrobial compounds have a guanidine motif, as the positive charge on guanidine promotes cell lysis. Therefore, pyrrole- and indole-based allylidene hydrazine carboximidamide derivatives with guanidine motifs are proposed as antimicrobial agents that mimic cationic antimicrobial peptides (CAMPs).
View Article and Find Full Text PDFJ Mol Model
January 2025
School of Chemical and Environmental Engineering, China University of Mining and Technology-Beijing, Haidian District, Ding No.11 Xueyuan Road, Beijing, 100083, People's Republic of China.
Context: Understanding the structural characteristics of coal at the molecular level is fundamental for its effective utilization. To explore the molecular structure characteristic, the long-flame coal from Daliuta (DLT), coking coal from Yaoqiao (YQ), and anthracite from Taixi (TX) were investigated using various techniques such as elemental analysis, Fourier transform infrared spectroscopy, solid-state C nuclear magnetic resonance spectroscopy, and X-ray photoelectron spectroscopy. Based on the structural parameters, the coal molecular model was constructed and optimized.
View Article and Find Full Text PDFPeerJ
January 2025
Faculty of Agricultural Sciences, University of the Punjab, Lahore, Punjab, Pakistan.
The continuous contamination of heavy metals (HMs) in our ecosystem due to industrialization, urbanization and other anthropogenic activities has become a serious environmental constraint to successful crop production. Lead (Pb) toxicity causes ionic, oxidative and osmotic injuries which induce various morphological, physiological, metabolic and molecular abnormalities in plants. Polyethylene glycol (PEG) is widely used to elucidate drought stress induction and alleviation mechanisms in treated plants.
View Article and Find Full Text PDFAnal Methods
January 2025
Department of Nutrition and Dietetics, Faculty of Health Sciences, Hasan Kalyoncu University, Gazi-antep, 27000, Turkey.
In the present study, a novel voltammetric sensor based on a boron-doped copper oxide/graphene (B-CuO-Gr) nanocomposite and molecularly imprinted polymer (MIP) was developed for the detection of paclobutrazol (PAC) in apple and orange juice samples. The B-CuO-Gr nanocomposite was prepared using sol-gel and calcination methods. After modifying glassy carbon electrodes with the B-CuO-Gr nanocomposite, PAC-imprinted electrodes were prepared in the presence of 100.
View Article and Find Full Text PDFMater Horiz
January 2025
School of Materials Science and Engineering, National Institute for Advanced Materials, Nankai University, Tianjin, 300350, China.
The semi-hydrogenation of alkynes into alkenes rather than alkanes is of great importance in the chemical industry, and palladium-based metallic catalysts are currently employed. Unfortunately, a fairly high cost and uncontrollable over-hydrogenation impeded the application of Pd-based catalysts on a large scale. Herein, a sandwich structure single atom Pd catalyst, Z@Pd@Z, was prepared impregnation exchange and epitaxial growth methods (Z stands for ZIF-8), in which Pd single atoms were stabilized by pyrrolic N in a zeolitic imidazolate framework (ZIF-8).
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