H dynamic nuclear polarization and nuclear spin-lattice relaxation rates have been studied in amorphous complexes of β-cyclodextrins doped with different concentrations of the TEMPO radical. Nuclear polarization increased up to 10% in the optimal case, with a behavior of the buildup rate (1/T) and of the nuclear spin-lattice relaxation rate (1/T) consistent with a thermal mixing regime. The temperature dependence of 1/T and its increase with the radical concentration indicate a relaxation process arising from the modulation of the electron-nucleus coupling by the glassy dynamics. The high-temperature relaxation is driven by molecular motions, and 1/T was studied at room temperature in liquid solutions for dilution levels close to the ones typically used for in vivo studies.
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http://dx.doi.org/10.1021/acs.jpcb.7b00836 | DOI Listing |
J Mol Model
January 2025
Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province, Chengdu University of Technology, Chengdu, People's Republic of China.
Context: The study of the influence of solvent on 1-bromo adamantane (BAD) exposes prominent solvatochromatic shifts in the optical absorbance and substantial solvent effects on the electronic structure. This facilitates the molecular probe abilities for the BAD with respect to the surrounding environments such as dielectric constant and polarity. BAD exhibits positive solvatochromism for nonpolar solvents and negative solvatochromatic shifts for polar and aromatic solvents.
View Article and Find Full Text PDFACS Omega
January 2025
Science Division, New York University Abu Dhabi, P.O. Box 129188, Abu Dhabi, United Arab Emirates.
Determining the structure of sitagliptin is crucial for ensuring its effectiveness and safety as a DPP-4 inhibitor used to treat type 2 diabetes. Accurate structure determination is vital for both drug development and maintaining quality control in manufacturing. This study integrates the advanced techniques of solid-state nuclear magnetic resonance (NMR) spectroscopy, three-dimensional (3D) electron diffraction, and density functional theory (DFT) calculations to investigate the structural intricacies of sitagliptin.
View Article and Find Full Text PDFArch Biochem Biophys
January 2025
Department of Nuclear Medicine, Hefei BOE Hospital, Hefei City, Anhui Province, 241000, China. Electronic address:
Background: Diffuse large B-cell lymphoma (DLBCL) is a prevalent and aggressive form of non-Hodgkin's lymphoma with a complex etiology. NOP2/Sun domain 2 (NSUN2) is an RNA methyltransferase that has been linked to the regulation of gene expression in various cancers. However, the function of NSUN2 in DLBCL, specifically its contribution to exosome-driven tumor progression, remains to be thoroughly elucidated.
View Article and Find Full Text PDFMolecules
January 2025
Institute of Pharmaceutical Research and Development, College of Pharmacy, Wonkwang University, Iksan 54538, Republic of Korea.
Inflammation has always been considered a trigger or consequence of neurodegenerative diseases, and the inhibition of inflammation in the central nervous system can effectively protect nerve cells. Several studies have indicated that various natural products inhibit neuroinflammation. Among these, Antarctic fungal metabolites have pharmacological activities and a developmental value.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Institute of Pathology, Medical Faculty Heidelberg, Heidelberg University, 69120 Heidelberg, Germany.
The oncogenes yes-associated protein () and transcriptional coactivator with PDZ-binding motif () are potent liver oncogenes. Because gene mutations cannot fully explain their nuclear enrichment, we aim to understand which mechanisms cause activation in liver cancer cells. The combination of proteomics and functional screening identified numerous apical cell polarity complex proteins interacting with YAP and TAZ.
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