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Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, activity and computational studies.
Future Med Chem
January 2025
Department of Chemistry, University of Malakand, Dir Lower, Khyber Pakhtunkhwa, Pakistan.
Background: Due to the divers biological applications of Cu(II) complexes, we in this study reports the various Cu(II) complexes. The study aims to synthesize and assess new Cu(II) complexes as powerful β-glucuronidase inhibitors.
Methods: Five Schiff base ligands and their complexes were synthesized, characterized, and screened against β-glucuronidase inhibitory activity.
Determination of the degree of sulfonation in cross-linked and non-cross-linked Poly(ether ether ketone) using different analytical techniques.
Heliyon
January 2025
Division of Polymer Chemistry, Department of Chemistry, Atomic Energy Commission, P.O. Box: 6091, Damascus, Syrian Arab Republic.
The degree of sulfonation (DS) is a key property of sulfonated polymers, as it significantly influences their swelling behaviour, conductivity and mechanical properties. Accurately determining the DS is essential for optimizing these materials for various applications. In this work, the DS of sulfonated poly (ether ether ketone) (SPEEK) was evaluated using a combination of analytical techniques, including titration, back titration, Fourier Transform Infrared (FTIR), Ultra-Violet (UV) and proton nuclear magnetic resonance (H NMR) spectroscopies, Thermogravimetric analysis (TGA), Rutherford backscattering (RBS) and particle induced X-ray emission (PIXE) analysis.
View Article and Find Full Text PDFAccurate Dehydrogenation Enthalpies Dataset for Liquid Organic Hydrogen Carriers.
Sci Data
January 2025
Materials Science Division, Argonne National Laboratory, Lemont, IL, 60439, USA.
This contribution presents a comprehensive extension of the QM9 dataset (originally at 133 K molecules) with the calculation of G4MP2 enthalpies for 9,841 molecules, featuring up to nine heavy atoms. We present QM9-LOHC, a (de)hydrogenation dataset of 10,373 reactions, including a minimum of 5.5% weight hydrogen storage capacity in line with the Department of Energy standards for Liquid Organic Hydrogen Carriers (LOHC).
View Article and Find Full Text PDFSolid state NMR spectral editing of histidine, arginine and lysine using Hadamard encoding.
J Biomol NMR
January 2025
Department of Biophysics, Medical College of Wisconsin, Milwaukee, WI, 53226, USA.
The NMR signals from protein sidechains are rich in information about intra- and inter-molecular interactions, but their detection can be complicated due to spectral overlap as well as conformational and hydrogen exchange. In this work, we demonstrate a protocol for multi-dimensional solid-state NMR spectral editing of signals from basic sidechains based on Hadamard matrix encoding. The Hadamard method acquires multi-dimensional experiments in such a way that both the backbone and under-sampled sidechain signals can be decoded for unambiguous editing in the N spectral frequency dimension.
View Article and Find Full Text PDFDiffusion-driven transient hydrogenation in metal superhydrides at extreme conditions.
Nat Commun
January 2025
Shanghai Key Laboratory MFree, Institute for Shanghai Advanced Research in Physical Sciences, Shanghai, 201203, China.
In recent years, metal hydride research has become one of the driving forces of the high-pressure community, as it is believed to hold the key to superconductivity close to ambient temperature. While numerous novel metal hydride compounds have been reported and extensively investigated for their superconducting properties, little attention has been focused on the atomic and electronic states of hydrogen, the main ingredient in these novel compounds. Here, we present combined H- and La-NMR data on lanthanum superhydrides, LaH, (x = 10.
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