The asymmetric unit of the title compound, [Ni(C(15)H(11)N(4)OS)(2)]·C(3)H(7)NO, contains one Ni(II) complex mol-ecule and one disordered dimethyl-formamide solvent mol-ecule. The Ni(II) ion is six-coordinated in a distorted octa-hedral geometry by two N, two O and two S atoms. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked through inter-molecular N-H⋯S, N-H⋯O, C-H⋯N, C-H⋯O and C-H⋯S hydrogen bonds into infinite two-dimensional network parallel to the ab plane. The structure is further stablized by weak C-H⋯π inter-actions. The dimethylformamide solvent molecule is disordered over two sets of sites in a 0.514 (15):0.486 (15) ratio.
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http://dx.doi.org/10.1107/S1600536812012834 | DOI Listing |
Chemphyschem
January 2025
South China University of Technology School of Materials Science and Engineering, State Key Laboratory of Luminescent Materials and Devices and Institute of Polymer Optoelectronic Materials and Devices, 381 Wushan Road, 510640, Guangzhou, CHINA.
Multi-resonance thermally activated delayed fluorescence (MR-TADF) materials possess unique advantages of high-efficiency and narrowband emission, which have rapidly occupied an important position in the field of organic light-emitting diodes (OLEDs). In recent years, significant advancements have been made in the development of MR-TADF materials, particularly in achieving spectral narrowing for high-color-purity OLED applications. Based on diverse MR-TADF molecular skeletons, this review summarizes the primary molecular strategies to narrow spectrum by suppressing structural relaxation and intermolecular interactions.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Thessaly, Mechanical Engineering, Leoforos Athinon, Pedion Areos, 383 34, Volos, GREECE.
To accelerate the water dissociation in the Volmer step and alleviate the destruction of bubbles to the physical structure of catalysts during the alkaline hydrogen evolution, an integrated electrode of cobalt oxide and cobalt-molybdenum oxide grown on Ni foam, named CoO-Co2Mo3O8, is designed. This integrated electrode enhances the catalyst-substrate interaction confirmed by a micro-indentation tester, and thus hinders the destruction of the physical structure of catalysts caused by bubbles. Electrochemical testing shows the occurrence of a surface reconstruction of the integrated electrode, and CoO is transformed into Co(OH)2, denoted as Co(OH)2-Co2Mo3O8.
View Article and Find Full Text PDFMagn Reson Chem
January 2025
Laboratório de Química Computacional e Modelagem Molecular (LQC-MM), Departamento de Química Inorgânica, Instituto de Química, Universidade Federal Fluminense (UFF), Niterói, Rio de Janeiro, Brazil.
We present a DFT-PCM NMR study of 3-indoleacetic acid (3-IAA), used as a working example, including explicit solvent molecules, named PCM-nCHCl, PCM-nDMSO (n = 0, 2, 4, 8, 14, 20, and 25), to investigate the dimer formation in solution. Apart from well-known cyclic (I) and open (II) acetic acid (AA) dimers, two new structures were located on DFT-PCM potential energy surface (PES) for 3-IAA named quasicyclic A (III) and quasicyclic B (IV), the last one having N-H…O hydrogen bond (instead of O-H…O). In addition, four other structures having π-π type interactions named V, VI, VII, and VIII were also obtained completing the sample on the PES.
View Article and Find Full Text PDFProtein Sci
February 2025
Amherst College, Amherst, Massachusetts, USA.
Hydrogen exchange mass spectrometry (HXMS) is a powerful tool to understand protein folding pathways and energetics. However, HXMS experiments to date have used exchange conditions termed EX1 or EX2 which limit the information that can be gained compared to the more general EXX exchange regime. If EXX behavior could be understood and analyzed, a single HXMS timecourse on an intact protein could fully map its folding landscape without requiring denaturation.
View Article and Find Full Text PDFIUBMB Life
January 2025
Department of Reproductive Medical Center, First Affiliated Hospital of Zhengzhou University, Zhengzhou, Henan Province, China.
Abnormality of granulosa cells (GCs) is the critical cause of follicular atresia in premature ovarian failure (POF). RIPK3 is highly expressed in GCs derived from atretic follicles. We focus on uncovering how RIPK3 contributes to ovarian GC senescence.
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