The 1H and 13C NMR resonances of 15 N,N'-diacylproflavines were assigned completely and unequivocally using a concerted application of one- and two-dimensional experiments (DEPT, gs-COSY, gs-HMQC and gs-HMBC).
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http://dx.doi.org/10.1002/mrc.1701 | DOI Listing |
Chem Sci
December 2024
College of Science, Engineering and Environment, University of Newcastle Callaghan NSW 2308 Australia.
The inductive effect is a central concept in chemistry and is often exemplified by the p values of acetic acid derivatives. The reduction in p is canonically attributed to the reduction in the electron density of the carboxylate group through the inductive effect. However, wave functional theory calculations presented herein reveal that the charge density of the carboxylate group is not explained by the inductive effect.
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January 2025
Boreskov Institute of Catalysis SB RAS, Siberian Branch of Russian Academy of Sciences, RUSSIAN FEDERATION.
Cu-modified zeolites provide methane conversion to methanol with high selectivity under mild conditions. The activity of different possible Cu-sites for methane transformation is still under discussion. Herein, ZSM-5 zeolite has been loaded with Cu2+ cations (1.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Pittsburgh School of Medicine, Structural Biology, 3501 5th Ave., Biomedical Science Tower 3, Room 2044, 15261, Pittsburgh, UNITED STATES OF AMERICA.
Bacterial biofilms are major contributors to persistent infections and antimicrobial resistance, posing significant challenges to treatment. However, obtaining high-resolution structural information on native bacterial biofilms has remained elusive due to the methodological limitations associated with analyzing complex biological samples. Solid-state NMR (ssNMR) has shown promise in this regard, but its conventional application is hindered by sensitivity constraints for unlabeled native samples .
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December 2024
Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center of RAS, 420088 Kazan, Russia.
In this study, comparative analysis of calculated and experimental C NMR shifts for a wide range of model platinum complexes showed that, on the whole, the theory reproduces the experimental data well. The chemical shifts of carbon atoms directly bonded to Pt can be calculated well only within the framework of the fully relativistic matrix Dirac-Kohn-Sham (mDKS) level ( = 0.9973, = 3.
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December 2024
Laboratory of Advanced Materials in Biopharmaceutics and Technics, Institute of Chemistry, Moldova State University, MD-2009 Chisinau, Moldova.
Ten coordination compounds, [Cu(L)Cl] (), [Cu(L)NO] (), [Cu(L)Cl] (C3), [Cu(L)NO] (), [Cu(L)Cl] (), [Cu(L)NO] (), [Cu(L)NO] (), [Cu(L)Cl] (), [Cu(L)Cl] (), and [Cu(L)NO] (), containing pyridine derivatives of -methoxyphenyl-thiosemicarbazones were synthesized and characterized. The molecular structure of four compounds was investigated using single crystal X-ray diffraction. Spectral analysis techniques such as FT-IR, H NMR, C NMR, elemental analysis, and molar conductivity were used for all the synthesized compounds.
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