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Small-Angle X-Ray Scattering for Macromolecular Complexes.
Adv Exp Med Biol
March 2024
European Molecular Biology Laboratory, Grenoble, Grenoble, France.
Small angle X-ray scattering (SAXS) is a versatile technique that can provide unique insights in the solution structure of macromolecules and their complexes, covering the size range from small peptides to complete viral assemblies. Technological and conceptual advances in the last two decades have tremendously improved the accessibility of the technique and transformed it into an indispensable tool for structural biology. In this chapter we introduce and discuss several approaches to collecting SAXS data on macromolecular complexes, including several approaches to online chromatography.
View Article and Find Full Text PDFRapid reaction optimization by robust and economical quantitative benchtop F NMR spectroscopy.
Nat Protoc
May 2024
Faculty for Chemistry and Biochemistry, Ruhr-Universität Bochum, Bochum, Germany.
The instrumental analysis of reaction mixtures is usually the rate-determining step in the optimization of chemical processes. Traditionally, reactions are analyzed by gas chromatography, HPLC or quantitative NMR spectroscopy on high-field spectrometers. However, chromatographic methods require elaborate work-up and calibration protocols, and high-field NMR spectrometers are expensive to purchase and operate.
View Article and Find Full Text PDF[Use of strongly acting sustained-release opioids in pediatrics : Pitfalls and solutions for morphine and hydromorphone].
Schmerz
January 2024
Spezialisierte Ambulante Palliativversorgung für Kinder und Jugendliche (SAPV), Pädiatrische Hämatologie und Onkologie, Zentrum für Kinder- und Jugendmedizin, Universitätsklinikum Münster (UKM), Münster, Deutschland.
Background: In pediatrics, adequate treatment with potent opioids requires the administration of sustained-release preparations for many patients; however, the dosing and administration of sustained-release morphine and hydromorphone preparations via gastrointestinal tubes confronts providers with a major hurdle, especially as the company Mundipharma GmbH has discontinued the production and distribution of the preparation MST retard granules in 2019, which has been proven for these purposes in pediatrics. The aim of this study was to establish a production technique for available sustained-release opioid preparations, which are particularly suitable for use in the low-dose range required in pediatrics and which can also be administered via gastrointestinal tubes.
Method: Low-dose preparations were produced by opening of morphine and hydromorphone capsules and weighing of the sustained-release pellets.
HPLC method development for the quantification of a mixture of reacting species: The case of lactose.
J Chromatogr A
January 2024
Institute of Energy and Process Engineering, ETH Zurich, 8092 Zurich, Switzerland. Electronic address:
Preparative and analytical chromatography are impaired by analytes that undergo a chemical reaction during the chromatographic separation, leading to peak distortion and systematic errors during the subsequent quantification phase. The pitfalls are highlighted through a combination of analytical results and numerical simulations. Two different quantification strategies for partially overlapping and reacting peaks are compared.
View Article and Find Full Text PDFMolecular Dynamics Simulations of Amylose- and Cellulose-Based Selectors and Related Enantioseparations in Liquid Phase Chromatography.
Molecules
November 2023
Unit of Enantioselective Chromatography and Molecular Recognition, Institute of Biomolecular Chemistry ICB, Secondary Branch of Sassari, CNR, Traversa La Crucca 3, Regione Baldinca, Li Punti, 07100 Sassari, Italy.
In the last few decades, theoretical and technical advancements in computer facilities and computational techniques have made molecular modeling a useful tool in liquid-phase enantioseparation science for exploring enantioselective recognition mechanisms underlying enantioseparations and for identifying selector-analyte noncovalent interactions that contribute to binding and recognition. Because of the dynamic nature of the chromatographic process, molecular dynamics (MD) simulations are particularly versatile in the visualization of the three-dimensional structure of analytes and selectors and in the unravelling of mechanisms at molecular levels. In this context, MD was also used to explore enantioseparation processes promoted by amylose and cellulose-based selectors, the most popular chiral selectors for liquid-phase enantioselective chromatography.
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