The Stern-Volmer constants for either pulse-induced or stationary fluorescence being quenched by a contact charge transfer are calculated and their free energy dependencies (the free energy gap laws) are specified. The reversibility of charge transfer is taken into account as well as spin conversion in radical ion pairs, followed by their recombination in either singlet or triplet neutral products. The natural decay of triplets as well as their impurity quenching by ionization are accounted for when estimating the fluorescence quantum yield and its free energy dependence.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1063/1.3528041 | DOI Listing |
Langmuir
January 2025
Tianjin Key Laboratory of Refrigeration Technology, Tianjin University of Commerce, Tianjin 300134, China.
Self-cleaning applications based on bionic surface designs requires an in-depth understanding of unique and complex wetting and evaporation processes of sessile droplets on natural biosurfaces. To this end, hydrophobic bamboo and Kalanchoe blossfeldiana leaves are excellent candidates for self-cleaning applications, but various properties, such as the heat and mass transfer processes during evaporation, remain unknown. Here, the dynamics of contact angle, radius, and heat and mass transfer during evaporation of sessile droplets on bamboo and Kalanchoe blossfeldiana leaves with roughness in the range 2.
View Article and Find Full Text PDFDalton Trans
January 2025
Consiglio Nazionale delle Ricerche, Istituto per la Sintesi Organica e la Fotoreattività (CNR-ISOF), Via Piero Gobetti 101, 40129 Bologna, Italy.
Hybrid coordination polimers based on AgX (with X = Cl, Br) and 2-, 3-, 4-picolylamine ligands, obtained by means of solvent-free methods, show peculiar luminescence properties that are strongly influenced by their structural motif, which in turn is defined by the adopted isomer of the ligand. A comprehensive study, combining photophysical methods and DFT calculations, allowed to rationalize the emissive behaviour of such hybrid coordination polymers in relation to their crystal structures and electronic properties. By means of luminescence measurements at variable temperatures, the nature of the emissive excited states and their deactivation dynamics was interpreted, revealing XMLCT transitions in the [(AgX)(2-pica)] compounds, a TADF behaviour in the case of 3-pica derivatives, and a dual emission at room temperature for the [(AgX)(4-pica)] family.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Computational Chemistry and Molecular Biophysics Section, Molecular Targets and Medications Discovery Branch, National Institute on Drug Abuse - Intramural Research Program, National Institutes of Health, Baltimore, Maryland 21224, United States.
We have developed a method that uses energy landscapes of unbound and bound ligands to compute reorganization free energies for end-point binding free-energy calculations. The method is applied to our previous simulations of fentanyl derivatives bound to the μ opioid receptor in different orientations. Whereas the mean interaction energy provides an ambiguous ranking of binding poses, interaction entropy and ligand reorganization strongly penalize geometric decoys such that native poses observed in CryoEM structures are best ranked.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Graduate Institute of Electronics Engineering, National Taiwan University, Taipei 10617, Taiwan.
Graphene-based supercapacitors have gained significant attention due to their exceptional energy storage capabilities. Despite numerous research efforts trying to improve the performance, the challenge of experimentally elucidating the nanoscale-interface molecular characteristics still needs to be tackled for device optimizations in commercial applications. To address this, we have conducted a series of experiments using substrate-free graphene field-effect transistors (SF-GFETs) and oxide-supported graphene field-effect transistors (OS-GFETs) to elucidate the graphene-electrolyte interfacial arrangement and corresponding capacitance under different surface potential states and ionic concentration environments.
View Article and Find Full Text PDFFood Sci Nutr
January 2025
Faculty of Chemical and Food Engineering, Bahir Dar Institute of Technology Bahir Dar University Bahir Dar Ethiopia.
This study investigates the optimization of four gluten free flours namely sorghum, rice, teff flours, and 3% flaxseed flour blends to enhance the quality , which was traditionally baked with only pure teff. Utilizing a D-optimal mixture design, ratios were varied (sorghum 43%-50%, rice 20%-27%, teff 23%-30%). Methods followed AOAC and AACC standards, analyzed using Minitab 19.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!