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http://dx.doi.org/10.1002/mrc.4328 | DOI Listing |
Biomol NMR Assign
January 2025
Department of Chemistry and Chemical Biology, TU Dortmund University, Dortmund, Germany.
Cyclic GMP-AMP synthase (cGAS) is a DNA-sensing enzyme that is a member of the nucleotidyltransferase (NTase) family and functions as a DNA sensor. The protein is comprised of a catalytic NTase core domain and an unstructured hypervariable N-terminal domain (NTD) that was reported to increase protein activity by providing an additional DNA-binding surface. We report nearly complete H, N, and C backbone chemical-shift assignments of mouse cGAS NTD (residues 5-146), obtained with a set of 3D and 4D solution NMR experiments.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Science, Beijing 100085, China.
Vinylene-linked Covalent Organic Frameworks (V-2D-COFs) are a class of promising porous organic materials that feature fully π-conjugated structures, high crystallinity, ultrahigh chemical stability, and extraordinary optoelectronic properties. However, the types of reactions and the availability of monomers for synthesizing linked COFs are considerably limited by the irreversibility of the C═C bond, and the complete π-conjugated structure restricts their in-depth research in hydrophilicity, membrane materials, and proton conductivity. Postsynthetic modification (PSM), which can avoid these problems by incorporating functional moieties into the predetermined framework, provides an alternative way to construct diverse V-2D-COFs.
View Article and Find Full Text PDFMagn Reson Chem
January 2025
A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk, Russia.
The complete H and C NMR assignments of a trimeric vindoline together with its individual components, dimeric vindolicine and monomeric vindoline, are performed based on a thorough analysis of the ROESY, COSY, HSQC, and HMBC spectra in combination with the state-of-the-art quantum-chemical calculations. A spatial structure of vindoline trimer is determined by means of computational conformational analysis in combination with the probability distribution map of its basic conformers. On the example of monoterpene indole alkaloid, the trimer vindoline, the present study reveals the power of modern computational NMR to perform identification and stereochemical studies of large natural compounds with some limitations, which may arise in the quantum chemical computing workflow.
View Article and Find Full Text PDFJ Mol Graph Model
December 2024
Post Graduate Department of Chemistry, Mehr Chand Mahajan DAV College for Women, Chandigarh, 160036, India.
A large population in the world lives in tropical and subtropical regions, showing a high risk of Zika viral infection which leads to a situation of global health emergency and demands extensive research to create effective antiviral medicines. Herein, we introduce the design of a new derivatized trans-stilbene molecule to investigate the inhibition of Zika virus entry into the host cell by molecular docking approach. The synthesized compound has been characterized by different analytical techniques such as FTIR, H NMR,C NMR and UV-visible spectroscopy as well as Mass spectrometry (MS).
View Article and Find Full Text PDFCarbohydr Res
December 2024
Beijing Institute of Radiation Medicine, Beijing, 100850, China; Shandong University of Traditional Chinese Medicine, Jinan, 250355, China. Electronic address:
A heptasaccharide was isolated from an active fraction of Trillium tschonoskii using HILIC and high-temperature PGC chromatography methods. UHPLC-Q/TOF-MS analysis gave this oligosaccharide a degree of polymerization (DP) of 7 and MS/MS showed that it has a six-carbon aldehyde glucan structure with the possible chain 1 → 4 connected. The structure was determined by series 1D and 2D NMR in two solvents DO and DMSO‑d.
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