The 14N nuclear quadrupole double resonance spectra of different polymorphs of sulfanilamide, sulfadiazine, sulfamerazine and sulfamethazine have been measured and the 14N quadrupole coupling tensors have been determined. The obtained 14N spectra are compared with those of other sulfa drugs like sulfathiazole. It is shown that different polymorphs can be easily discriminated. The application of this technique for non-destructive analysis, polymorph determination and quality control in the production of pharmaceuticals is stressed.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1016/j.ssnmr.2006.02.003 | DOI Listing |
Chemphyschem
January 2025
Universidad de Valladolid Facultad de Ciencias, Química Física y Química Inorgánica, SPAIN.
Indane-based molecules are effective scaffolds for different pharmaceutical products, so it is relevant to analyze the relation between structure and functionality in indane derivatives. Here, we have characterized the conformational landscape and molecular structure of 1-aminoindane in the gas phase using chirped-excitation Fourier-transform microwave spectroscopy and computational methods. The rotational spectrum confirmed the presence of two conformers, which were identified based on their rotational constants and 14N nuclear quadrupole coupling tensor elements.
View Article and Find Full Text PDFBenef Microbes
January 2025
Université Paris-Saclay, 27057INRAE, AgroParisTech, Micalis Institute, 78350, Jouy-en-Josas, France.
Probiotics are widely used for their health promoting effects, though a lot remain to be discovered, particularly on their mechanisms of action at the molecular level. The functional genomic approach is an appropriate method to decipher how probiotics may influence human cell fate and therefore contribute to their health benefit. In the present work, we focused on Shouchella clausii (formerly named Bacillus then Alkalihalobacillus clausii), a spore-forming bacterium that is commercially available as a probiotic for the prevention and the treatment of intestinal dysbiosis and related gastrointestinal disorders, such as diarrhoea.
View Article and Find Full Text PDFMolecules
November 2024
Department of Chemistry, University of Munich (LMU), Butenandtstr. 5-13, 81377 Munich, Germany.
Based on their various and outstanding properties, binary nitrides are used as (synthesis) materials in industry and research. Hence, their comprehensive characterization by analytical methods is of particular interest. Since Nuclear Magnetic Resonance (NMR) spectroscopy is very sensitive to the symmetry of the electronic density distribution, it is a suitable tool for the investigation of rock-salt structure types and, especially, for those with known stoichiometry issues.
View Article and Find Full Text PDFPhys Med Biol
January 2025
Centre for Medical Radiation Physics, University of Wollongong, Wollongong, NSW 2522, Australia.
the recently developed V79-RBEbiological weighting function (BWF) model is a simple and robust tool for a fast relative biological effectiveness (RBE) assessment for comparing different exposure conditions in particle therapy. In this study, the RBEderived by this model (through the particle and heavy ion transport code system (PHITS) simulatedspectra) is compared with values of RBEusing experimentally derivedspectra from a silicon-on-insulator (SOI) microdosimeter.experimentally measuredspectra are used to calculate an RBEvalue utilizing the V79-RBEBWF model as well as the modified microdosimetric kinetic model (MKM) to produce an RBE-vs-trend for a wide range of ions.
View Article and Find Full Text PDFNano Lett
December 2024
Quantum Engineering Laboratory, Department of Electrical and Systems Engineering, University of Pennsylvania, 200 S. 33rd St., Philadelphia, Pennsylvania 19104, United States.
Nuclear quadrupolar resonance (NQR) spectroscopy reveals chemical bonding patterns in materials and molecules through the unique coupling between nuclear spins and local fields. However, traditional NQR techniques require macroscopic ensembles of nuclei to yield a detectable signal, which obscures molecule-to-molecule variations. Solid-state spin qubits, such as the nitrogen-vacancy (NV) center in diamond, facilitate the detection and control of individual nuclei through their local magnetic couplings.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!