The asymmetric unit of the title compound, C(17)H(12)ClF(3)N(4)O(2)S, contains two mol-ecules, which differ in their planarity and hydrogen bonding. In one mol-ecule, the 2-oxoindolin (C(8)/N/O A), thio-semicarbazide (N(3)/C/S B) and 5-chloro-2-methyl-phenyl (C(7)/Cl C) units are planar with r.m.s. deviations of 0.0110, 0.0173 and 0.0259 Å, respectively. The dihedral angles A/B, B/C and A/C are 1.74 (15), 40.70 (13) and 41.00 (11)°, respectively. In the other mol-ecule the deviations are 0.0455, 0.0007 and 0.0143 Å, respectively, and the dihedral angles are 5.01 (14), 4.53 (16) and 3.38 (13)°, respectively. In both mol-ecules, intra-molecular N-H⋯N and N-H⋯O hydrogen bonds form S(5) and S(6) ring motifs, respectively and C-H⋯S interactions occur. In one of the molecules, an intramolecular C-H⋯F interaction is also present. In the crystal, the mol-ecules are linked by N-H⋯O, C-H⋯F, C-H⋯O and N-H⋯S hydrogen bonding, forming a polymeric network.
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http://dx.doi.org/10.1107/S1600536810014650 | DOI Listing |
Int J Biol Macromol
January 2025
Department of Chemistry, Himachal Pradesh University, Summerhill, Shimla, Himachal Pradesh 171005, India.
Herein, pine needles derived spherical nanocellulose (SNC) was combined with aniline to form SNC-polyaniline (SNC-PANI), followed by modification with montmorillonite (MMT) to form SNC-PANI-MMT composite. The as-synthesized materials were characterized by FTIR, XRD, XPS, TGA, FESEM, and EDS and evaluated for the simultaneous adsorption of cationic and anionic dyes, malachite green (MG), and Congo red (CR) from MG-CR mixture, and fuchsin basic (FB) and methyl orange (MO) from FB-MO mixture. Non-linear kinetics of adsorption showed the anionic dyes, CR and MO to follow pseudo-first order kinetics with 91.
View Article and Find Full Text PDFEnviron Res
January 2025
Key Laboratory of Regional Environment and Eco-restoration, Ministry of Education, Shenyang University, Shenyang, 110044, Liaoning, China. Electronic address:
Nano-microplastics and 17β-E2 have been frequently detected as emerging high-concern pollutants in aquatic systems, and their interaction at the solid/liquid interface has become a research focus in environmental studies. The interfacial sorption kinetics and equilibrium characteristics of 17β-estradiol (17β-E2) on nano-polystyrene (Nano-PS) with different particle sizes and organic functional group modifications were systematically investigated in aqueous environments in this study. The interfacial interaction mechanism between Nano-PS particles and 17β-E2 was elucidated by utilizing SEM, FTIR, XPS and BET techniques.
View Article and Find Full Text PDFJ Biol Chem
January 2025
Department of Chemistry, The University of Texas at San Antonio, Texas 78249, United States. Electronic address:
MarE, a heme-dependent enzyme, catalyzes a unique 2-oxindole-forming monooxygenation reaction from tryptophan metabolites. To elucidate its enzyme-substrate interaction mode, we present the first X-ray crystal structures of MarE in complex with its prime substrate, (2S,3S)-β-methyl-L-tryptophan and cyanide at 1.89 Å resolution as well as a truncated yet catalytically active version in complex with the substrate at 2.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
School of Food Science and Technology, Jiangnan University, Wuxi, PR China.
This study investigates camel milk protein structural dynamics during digestion using Fourier Transform Infrared (FTIR) spectroscopy and Two-Dimensional Infrared (2D-IR) homo-correlation and hetero-correlation analysis. The synchronous 2DIR homo-correlation map reveals that NH bending and C-N stretching vibrations (amide II) are sensitive to digestion, indicating significant impacts on secondary structures. The asynchronous 2DIR homo-correlation indicates a stepwise process, where initial disruptions in NH interactions precede changes in CO stretching vibrations (amide I), highlighting the sequence of structural alterations during protein unfolding and degradation.
View Article and Find Full Text PDFMol Med
January 2025
Department of Critical Care Medicine, Renmin Hospital of Wuhan University, 238 Jiefang Road, Wuchang, Wuhan, 430060, Hubei, China.
Background: Macrophages play an important role in the pathogenesis of ulcerative colitis (UC). We will explore the effects of sodium butyrate (SB) on macrophage function.
Methods: The targets of butyric acid were identified using SwissTargetPrediction database and surface plasmon resonance (SPR).
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