PMC:7594251 / 28864-30975 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7594251","sourcedb":"PMC","sourceid":"7594251","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7594251","text":"2.2.4. 2D 1H, 13C-HMBC\nHeteronuclear 2D experiments are useful for transferring magnetization from sensitive nuclei (i.e., 1H) to less sensitive nuclei (i.e., 13C) [146] thereby reducing the time needed for the acquisition of spectra [147]. Heteronuclear Single Quantum Coherence (HSQC) will only show one cross peak for each coupled pair [92,128] of nuclei. This makes HSQCs useful for assigning the backbone of proteins [148] and in metabolites of complex biofluids [149], whose 1D 1H-NMR spectra can suffer from severe spectral overlap.\nThe HMBC technique, while similar to HSQC, is an example of a heteronuclear 2D experiment that reveals correlations between nuclei separated by two or more chemical bonds while also suppressing one-bond correlations at the same time. This experiment combined with HSQC is often used to assign NMR spectra for studied molecules in drug design experiments [65,66,137,145].\nAs an example, HMBC was used in a recent study by Xu et al. [66] to investigate the changes in the metabolic profiles of rats treated with different dosages of the “RenqingMangjue” pill, a traditional Tibetan medicine. In this study, the rats were divided into four groups based on the amount of “RenqingMangjue” administered: low dose group (LD)-83.33 mg/kg/day, middle dose group (MD)-333.33 mg/kg/day, high dose group (HD)-1333.33 mg/kg/day and a control group (NC). After 15 days of consecutive administration, half of the rat population was used to collect samples such as serum, kidney, and liver tissue, while the other half underwent an additional 15 days of recovery before the same samples were acquired. The samples were measured using 1H-NMR CPMG (an experiment used to suppress signals from larger molecules, see below) [150,151,152] along with 1H,1H-COSY, 1H,13C-HSQC, and 1H,13C-HMBC used for molecules assignment. The obtained spectra showed that the “RenqingMangjue” pill alters many metabolites, which are related to a variety of metabolic pathways including energy metabolism, amino acid metabolism, and lipid metabolism indicating potentially harmful effects on kidneys and 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