Search results for "Nuclear magnetic resonance spectroscopy"
showing 3 items of 843 documents
Formation, Structural Characterization, and Calculated NMR Chemical Shifts of Selenium-Nitrogen Compounds from SeCl4 and ArNHLi (Ar = supermesityl, m…
2004
Supermesityl selenium diimide [Se{N(C6H2tBu3-2, 4, 6)}2; Se{N(mes*)}2] can be prepared in a good yield from the reaction of SeCl4 and (mes*)NHLi. The molecule adopts an unprecedented anti, anti-conformation, as deduced by DFT calculations at PBE0/TZVP level of theory and supported by 77Se NMR spectroscopy and a crystal structure determination. An analogous reaction involving (C6H2Me3-2, 4, 6)NHLi [(mes)NHLi] unexpectedly lead to the reduction of selenium and afforded the selenium diamide Se{NH(mes)}2 that was characterized by X-ray crystallography and 77Se NMR spectroscopy. The Se-N bonds of 1.847(3) and 1.852(3) A show normal single bond lengths. The <NSeN bond angle of 109.9(1)° also indi…
1H NMR Urinary Metabolomic Analysis in Older Adults after Hip Fracture Surgery May Provide Valuable Information for Patient Profiling : A Preliminary…
2022
In these times of precision and personalized medicine, profiling patients to identify their needs is crucial to providing the best and most cost-effective treatment. In this study, we used urine metabolomics to explore the characterization of older adults with hip fractures and to explore the forecasting of patient outcomes. Overnight urine specimens were collected from 33 patients (mean age 80 ± 8 years) after hip fracture surgery during their stay at a rehabilitation hospital. The specimens were analyzed with 1H NMR spectroscopy. We performed a metabolomics study regarding assessments of frailty status, Functional Independence Measure (FIM), and Short Physical Performance Battery (SPPB). …
Acid–base properties of functionalised tripodal polyamines and their interaction with nucleotides and nucleic acids
2010
Novel, highly positively charged tripodal polyamines with appended heterocyclic moieties revealed an intriguing panel of protonation species within the biologically relevant range. Studied compounds bind nucleotide monophosphates by mostly electrostatic interactions but only the imidazole analogue showed selectivity toward UMP in respect to other nucleotides. Strong binding of all the studied compounds to both ds-DNA and ds-RNA is to some extent selective toward the latter, showing rather rare RNA over DNA preference.