The title complex, [Cd(C(6)H(12)NOS(2))(2)(C(10)H(8)N(2))]·CH(3)CN, features a distorted octa-hedral N(2)S(4) geometry for the Cd(II) centre defined by a pair of asymmetrically chelating dithio-carbamate ligands as well as a 2,2'-bipyridine ligand. Supra-molecular chains along [001] are formed in the crystal structure, mediated by O-H⋯S hydrogen bonds; the acetonitrile solvent mol-ecules are associated with the chains via O-H⋯N hydrogen bonds.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971818 | PMC |
http://dx.doi.org/10.1107/S1600536809049666 | DOI Listing |
Chem Sci
January 2025
Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University Suzhou Jiangsu 215123 China
Understanding the oxygen reduction reaction (ORR) mechanism and accurately characterizing the reaction interface are essential for improving fuel cell efficiency. We developed an active learning framework combining machine learning force fields and enhanced sampling to explore the dynamics and kinetics of the ORR on Fe-N/C using a fully explicit solvent model. Different possible reaction paths have been explored and the O adsorption process is confirmed as the rate-determining step of the ORR at the Fe-N/C-water interface, which needs to overcome a free energy barrier of 0.
View Article and Find Full Text PDFChem Sci
January 2025
School of Chemistry and Chemical Engineering, Anhui University of Technology Ma'anshan 243032 Anhui China
Organic compounds present promising options for sustainable zinc battery electrodes. Nevertheless, the electrochemical properties of current organic electrodes still lag behind those of their inorganic counterparts. In this study, nitro groups were incorporated into pyrene-4, 5, 9, 10-tetraone (PTO), resulting in an elevated discharge voltage due to their strong electron-withdrawing capabilities.
View Article and Find Full Text PDFRSC Adv
January 2025
Institute of Chemistry, Vietnam Academy of Science and Technology Hanoi Vietnam
In this paper, a series of novel quinazoline-4(3)-one-2-carbothioamide derivatives (8a-p) were designed and synthesized the Wilgerodt-Kindler reaction between 2-methylquinazoline-4-one 10 and amines using S/DMSO as the oxidizing system. Their characteristics were confirmed by IR, NMR, HRMS spectra, and their melting point. These novel derivatives (8a-p) were evaluated for their anti-inflammatory activity by inhibiting NO production in lipopolysaccharide (LPS)-activated RAW 264.
View Article and Find Full Text PDFFront Bioeng Biotechnol
January 2025
Department of Orthodontics, Shanghai Ninth People's Hospital, Shanghai Jiao Tong University School of Medicine, College of Stomatology, Shanghai Jiao Tong University, National Center for Stomatology, National Clinical Research Center for Oral Diseases, Shanghai Key Laboratory of Stomatology and Shanghai Research Institute of Stomatology, Research Unit of Oral and Maxillofacial Regenerative Medicine, Chinese Academy of Medical Sciences, Shanghai, China.
A one-step hydrothermal method was applied to prepare carbon dots (CDs) with superior fluorescence properties using chitosan as a carbon source. The as-prepared carbon dots were then grafted onto a sodium alginate-gelatin hydrogel film to form a fluorescent hydrogel film (FHGF), emitting at 450 nm under excitation of 350 nm light. In comparison to the CDs, the fluorescence intensity of this film was maintained over 90.
View Article and Find Full Text PDFFront Chem
January 2025
Suzhou Research Center of Medical School, Suzhou Hospital, Affiliated Hospital of Medical School, Nanjing University, Suzhou, China.
Introduction: To design effective small molecule inhibitors targeting the immune checkpoint PD-1/PD-L1 and to explore their inhibitory activity.
Methods: In this paper, a total of 69 PD-1/PD-L1 inhibitors with the same backbone were searched through opendatabases, and their docking mechanism with PD-L1 protein was investigatedby molecular docking method, and the active conformation of the inhibitors was explored. The biological activity of the four newly designed inhibitors was also evaluated using ELISA.
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!