Prebiotic hydantoin and its complexes with one and two water molecules are investigated using high-resolution broadband rotational spectroscopy in the 2-8 GHz frequency range. The hyperfine structure due to the nuclear quadrupole coupling of the two N atoms is analysed for the monomer and the complexes. This characteristic hyperfine structure will support a definitive assignment from low frequency radioastronomy data. Experiments with HO provide accurate experimental information on the preferred binding sites of water, which are compared with quantum-chemically calculated coordinates. In the 2-water complexes, the water molecules bind to hydantoin as a dimer instead of individually, indicating the strong water-water interactions. This information provides first insight on how hydantoin interacts with water on the molecular level.
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J Chem Inf Model
January 2025
State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200030, P.R. China.
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Department of Applied Sciences, Indian Institute of Information Technology, Allahabad, Deoghat, Jhalwa, Prayagraj Uttar Pradesh, 211015, India.
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View Article and Find Full Text PDFAnal Chem
January 2025
Institute of Molecular Metrology, College of Chemistry and Chemical Engineering, Qingdao University, Qingdao 266071, P. R. China.
The elementary mechanism and site studies of nanozyme-based inhibition reactions are ambiguous and urgently require advanced nanozymes as mediators to elucidate the inhibition effect. To this end, we develop a class of nanozymes featuring single Cu-N catalytic configurations and B-O sites as binding configurations on a porous nitrogen-doped carbon substrate (B/Cu) for inducing modulable inhibition transfer at the atomic level. The full redistribution of electrons across the Cu-N sites, induced by B-O sites incorporation, yields B/Cu with enhanced peroxidase-like activity versus Cu.
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January 2025
Faculty of Medicine, Department of Biophysics and Neuroscience, Wroclaw Medical University, Wrocław, Poland.
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View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Division of Chemical and Material Metrology, Korea Research Institute of Standards and Science (KRISS), Daejeon, 34133, Republic of Korea.
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