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An unprecedented double photoexcitation mechanism for photoswitching in conjugated-dienes to trigger physiological processes for photopharmacology.
Org Biomol Chem
January 2025
Laboratory of Advanced Computation and Theory for Materials and Chemistry, Department of Chemistry, National Institute of Technology Warangal (NITW), Warangal, Telangana-506004, India.
The optical control of physiological processes with high precision using photoswitches is an emerging strategy for non-invasive diagnosis and therapies, providing innovative solutions to complex biomedical challenges. Light-responsive cyclic conjugated-dienes (cCDs) have long been recognized for their 4π-photocyclization; however, photoswitching behaviour in medium-sized cCDs has recently been reported, representing a pioneering discovery in the field. Reinforced by previous experimental evidence corroborating the Woodward-Hoffmann rules, this report provides insight into the origin of the exotic dual photoexcitation mechanism devised to achieve thermo-reversible photoswitching in large cCDs with cyclodeca-1,3-diene as a prototype.
View Article and Find Full Text PDFImpact of Ga-FAPI positron emission tomography/computed tomography on staging and tumor management in patients with gastric cancer.
J Cancer Res Clin Oncol
January 2025
Department of Medical Oncology, Cancer Center, West China Hospital, Sichuan University, 37 Guoxue Alley, Chengdu, Sichuan, 610041, China.
Purpose: To evaluate the added value of additional Ga-FAPI PET/CT following CT for primary staging, detection of postoperative recurrence, and management of gastric cancer patients.
Methods: We retrospectively included patients with gastric cancers who underwent contrast-enhanced computed tomography (ceCT), followed by Ga-FAPI PET/CT within 30 days. Ga-FAPI PET/CT was performed for initial staging or detection of postoperative recurrence.
Bearing characteristics and damage rules of regenerated rock mass.
Sci Rep
January 2025
Dazhu Coal and Electricity Group of Sichuan, Xiaohezui Coal Mine, Dazhou, 6635000, China.
This study investigates the bearing characteristics and damage evolution of regenerative rock masses formed under varying geological conditions through uniaxial loading tests, numerical simulations, and theoretical derivations. Regenerative rock mass samples with different water-cement ratios and cementing materials were prepared, and the mechanical behavior during the loading process was analyzed. The results indicate that the secondary damage process can be divided into three stages: pre-peak, weakening, and friction.
View Article and Find Full Text PDFRNA Translocation through Protein Nanopores: Interlude of the Molten RNA Globule.
J Am Chem Soc
January 2025
Department of Polymer Science and Engineering, University of Massachusetts, Amherst, Massachusetts 01003, United States.
Direct translocation of RNA with secondary structures using single-molecule electrophoresis through protein nanopores shows significant fluctuations in the measured ionic current, in contrast to unstructured single-stranded RNA or DNA. We developed a multiscale model combining the oxRNA model for RNA with the 3-dimensional Poisson-Nernst-Planck formalism for electric fields within protein pores, aiming to map RNA conformations to ionic currents as RNA translocates through three protein nanopores: α-hemolysin, CsgG, and MspA. Our findings reveal three distinct stages of translocation (pseudoknot, melting, and molten globule) based on contact maps and current values.
View Article and Find Full Text PDFAccurate Force Field for Carbon Dioxide-Silica Interactions Based on Density Functional Theory.
J Phys Chem B
January 2025
Nuclear Waste Disposal Research & Analysis Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, United States.
Fluid-silica interfaces are ubiquitous in chemistry, occurring in both natural geochemical environments and practical applications ranging from separations to catalysis. Simulations of these interfaces have been, and continue to be, a significant avenue for understanding their behavior. A constraining factor, however, is the availability of accurate force fields.
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