The present note comments on several publications which appeared in different journals containing many inaccurate statements and lacking honest citations of basic papers dealing with the application of solvatochromism to determine excited state dipole moments.
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http://dx.doi.org/10.1016/j.saa.2011.05.102 | DOI Listing |
J Phys Chem Lett
January 2025
State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200241, China.
Flavonoids, a group of natural pigments, have attracted notable attention for their intrinsic fluorescent bioactive properties and potential therapeutic implications. Recent studies have suggested that the photoexcitation of specific flavonoids can also lead to the formation of triplet states, thereby potentially enhancing their applications in photoactivated antioxidant mechanisms. However, the crucial mechanism details about triplet state formation are still poorly understood.
View Article and Find Full Text PDFProg Neurobiol
January 2025
Institute of Biomedical Investigations August Pi i Sunyer (IDIBAPS), Systems Neuroscience, 08036 Barcelona, Spain; Institució Catalana de Recerca i Estudis Avançats (ICREA), 08010 Barcelona, Spain. Electronic address:
Elucidating human cerebral cortex function is essential for understanding the physiological basis of both healthy and pathological brain states. We obtained extracellular local field potential recordings from cortical slices of neocortical tissue from refractory epilepsy patients. Multi-electrode recordings were combined with histological information, providing a two-dimensional spatiotemporal characterization of human cortical dynamics in control conditions and following modulation of the excitation/inhibition balance.
View Article and Find Full Text PDFJ Chem Theory Comput
January 2025
Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, United States.
We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift.
View Article and Find Full Text PDFComput Methods Programs Biomed
January 2025
College of Medicine and Biological Information Engineering, Northeastern University, Shenyang, 110169, PR China. Electronic address:
Background And Objective: Atrial fibrillation (AF) is a significant cause of life-threatening heart disease due to its potential to lead to stroke and heart failure. Although deep learning-assisted diagnosis of AF based on ECG holds significance in clinical settings, it remains unsatisfactory due to insufficient consideration of noise and redundant features. In this work, we propose a novel multiscale feature-enhanced gating network (MFEG Net) for AF diagnosis.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.
Light-driven spin hyperpolarization of organic molecules is a crucial technique for spin-based applications such as quantum information science (QIS) and dynamic nuclear polarization (DNP). Synthetic chemistry provides the design of spins with atomic precision and enables the scale-up of individual spins to hierarchical structures. The high designability and extended pore structure of metal-organic frameworks (MOFs) can control interactions between spins and guest molecules.
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