Measuring intracellular metabolism has increasingly led to important insights in biomedical research. (13)C tracer analysis, although less information-rich than quantitative (13)C flux analysis that requires computational data integration, has been established as a time-efficient method to unravel relative pathway activities, qualitative changes in pathway contributions, and nutrient contributions. Here, we review selected key issues in interpreting (13)C metabolite labeling patterns, with the goal of drawing accurate conclusions from steady state and dynamic stable isotopic tracer experiments.
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http://dx.doi.org/10.1016/j.copbio.2015.02.003 | DOI Listing |
ChemSusChem
January 2025
Dalian University of Technology, State Key Laboratory of Fine Chemicals, CHINA.
Water-lean absorbents are regarded as a new generation of post-combustion CO2 capture technology that could significantly relieve those drawbacks posed by traditional aqueous alkanolamines. However, the exponential increase in viscosity during CO2 absorption remains an urgent issue that needs to be resolved before their practical deployment. In this work, novel water-lean amines based on biomass glycerol have been devised as single-component CO2 absorbents with low viscosity (79~110 cP at 25 oC, 29~39 cP at 40 oC) under high capacity (12~18 wt% at 25 oC, 10~17 wt% at 40 oC).
View Article and Find Full Text PDFChem Biodivers
January 2025
Universite Mohammed Premier Oujda Faculte Pluridisciplinaire de Nador, Department of Chemistry, 60700 Nador, Morocco, Nador, 60700, Nador, MOROCCO.
In recent years, Imidazothiazole-Chalcone conjugates have emerged as notable pharmacophores with potential applications in discovering biologically active compounds. This study focuses on synthesizing novel imidazo[2,1-b]thiazole chalcone derivatives through a facile and conventional process adhering to several principles of green chemistry, facilitating scalable production. The synthesized compounds underwent comprehensive spectroscopic analysis, including 1H NMR, 13C NMR, LC-MS, and FT-IR techniques.
View Article and Find Full Text PDFMolecules
December 2024
Institute of Earth Sciences, Faculty of Natural Sciences, University of Silesia in Katowice, 60, Będzińska, 41-200 Sosnowiec, Poland.
Cathinone and its synthetic derivatives belong to organic compounds with narcotic properties. Their structural diversity and massive illegal use create the need to develop new analytical methods for their identification in different matrices. NMR spectroscopy is one of the most versatile methods for identifying the structure of organic substances.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Research Unit of Structural Chemistry & Computational Biophysics, Leibniz-Forschungsinstitut für Molekulare Pharmakologie, Berlin 13125, Germany.
Density functional theory (DFT) calculations have emerged as a powerful theoretical toolbox for interpreting and analyzing the experimental nuclear magnetic resonance (NMR) spectra of chemical compounds. While DFT has been extensively used and benchmarked for isotropic NMR observables, the evaluation of the full chemical shielding tensor, which is necessary for interpreting residual chemical shift anisotropy (RCSA), has received much less attention, despite its recent applications in the structural elucidation of organic molecules. In this study, we present a comprehensive benchmark of carbon shielding anisotropies based on coupled cluster reference tensors taken from the NS372 benchmark data set.
View Article and Find Full Text PDFWater Res
December 2024
School of Water Resources and Environment and Research Center of Environmental Science and Engineering, Sino-Hungarian Joint Laboratory of Environmental Science and Health, China University of Geosciences (Beijing), 29 Xueyuan Road, Haidian District, 100083 Beijing, China; Department of Technical Biogeochemistry, Helmholtz Centre for Environmental Research-UFZ, Permoserstraße 15 04318 Leipzig, Germany; Isodetect GmbH, Deutscher Platz 5b, 04103 Leipzig, Germany. Electronic address:
This study investigates carbon, hydrogen, nitrogen and chlorine isotope fractionation during the transformation of 3-chloroaniline (3-CA) via direct photolysis, TiO photocatalytic degradation at neutral condition and hydrolysis at pH 3, pH 7 and pH 11. Direct photolysis and ∙OH reaction (UV/HO) showed similar inverse isotope fractionation (ε) for carbon (1.9 ± 0.
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