The kinetics of photoinduced electron-transfer (ET) reactions have been measured in a series of synthetic donor-acceptor complexes. The electron donors are singlet or triplet excited iridium(I) dimers (Ir(2)), and the acceptors are N-alkylpyridinium groups covalently bound to phosphinite ligands on the Ir(2) core. Rate constants for excited-state ET range from 3.5 x 10(6) to 1.1 x 10(11) per second, and thermal back ET (pyridinium radical to Ir(2)(+)) rates vary from 2.0 x 10(10) to 6.7 x 10(7) per second. The variation of these rates with driving force is in remarkably good agreement with the Marcus theory prediction of a Gaussian free-energy dependence.
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http://dx.doi.org/10.1126/science.247.4946.1069 | DOI Listing |
PLoS One
January 2025
Chemistry and Biochemistry, University of St. Thomas, Houston, TX, United States of America.
Cardiovascular disease (CVD) remains the leading cause of morbidity and mortality globally, with oxidative stress playing a pivotal role in its progression. Free radicals produced via oxidative stress contribute to lipid peroxidation, leading to subsequent inflammatory responses, which then result in atherosclerosis. Antioxidants inhibit these harmful effects through their reducing ability, thereby preventing oxidative damage.
View Article and Find Full Text PDFJ Mater Chem B
January 2025
Department of Physics, The Chinese University of Hong Kong, Shatin, Hong Kong SAR, China.
Front Chem
December 2024
African Society for Bioinformatics and Computational Biology, Cape Town, South Africa.
Introduction: Dengue Fever continues to pose a global threat due to the widespread distribution of its vector mosquitoes, and . While the WHO-approved vaccine, Dengvaxia, and antiviral treatments like Balapiravir and Celgosivir are available, challenges such as drug resistance, reduced efficacy, and high treatment costs persist. This study aims to identify novel potential inhibitors of the Dengue virus (DENV) using an integrative drug discovery approach encompassing machine learning and molecular docking techniques.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Center for Phononics and Thermal Energy Science, School of Physics Science and Engineering, Tongji University, Shanghai 20092, China.
In contrast to normal diffusion processes, thermal conduction in one-dimensional systems is anomalous. The thermal conductivity is found to vary with the length as κ∼L^{α}(α>0), but there is a long-standing debate on the value α. Here, we present a canonical example of this behavior in polymer-grafted spherical nanoparticle (GNP) melts at fixed grafting density and nanoparticle radius.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Tirupati, Andhra Pradesh 517619, India.
Although impurities are unavoidable in real-world and experimental systems, most numerical studies on nucleation focus on pure (impurity-free) systems. As a result, the role of impurities in phase transitions remains poorly understood, especially for systems with complex free energy landscapes featuring one or more intermediate metastable phases. In this study, we employed Monte Carlo simulations to investigate the effects of static impurities (quenched disorder) of varying length scales and surface morphologies on the crystal nucleation mechanism and kinetics in the Gaussian core model system-a representative model for soft colloidal systems.
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