Excitation functions for Bi(α,2n)At, Bi(α,3n)At and Bi(α,4n)At reactions were calculated using TALYS-1.95 nuclear code from threshold to 50 MeV by invoking suitable options for level densities, nucleon-nucleus optical model potentials and alpha optical model potentials. Statistical factors were used to verify the quality of matching between theoretical model calculations and the experimental data from the EXFOR database. The TTY of At calculated using the excitation function of Bi(a,2n)At reaction is compared with existing experimental studies from literature The results of the present study are important for the validation of nuclear model approaches with increased predictive power for Bi(α,xn) reactions for the production of At.
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http://dx.doi.org/10.1016/j.apradiso.2021.109813 | DOI Listing |
J Chem Theory Comput
January 2025
Qingdao Institute for Theoretical and Computational Sciences and Center for Optics Research and Engineering, Shandong University, Qingdao 266237, China.
Given a number of data sets for evaluating the performance of single reference methods for the low-lying excited states of closed-shell molecules, a comprehensive data set for assessing the performance of multireference methods for the low-lying excited states of open-shell systems is still lacking. For this reason, we propose an extension (QUEST#4X) of the radical subset of QUEST#4 ( , , 3720) to cover 110 doublet and 39 quartet excited states. Near-exact results obtained by iterative configuration interaction with selection and second-order perturbation correction (iCIPT2) are taken as benchmark to calibrate static-dynamic-static configuration interaction (SDSCI) and static-dynamic-static second-order perturbation theory (SDSPT2), which are minimal MRCI and CI-like perturbation theory, respectively.
View Article and Find Full Text PDFDalton Trans
January 2025
College of Materials and New Energy, Chongqing University of Science and Technology, Chongqing, 401331, China.
Achieving multicolor emission is a fascinating goal that remains challenging for zero-dimensional (0D) hybrid halides. We successfully obtained a three-millimeter-scale 0D (MXDA)CdBr (MXDA = CHN) single crystal (SC) by the solvothermal method. It serves as an outstanding host for doping with various valence activators, such as Cu, Mn and Sb, and these doped single crystals emit blue (470 nm), yellow (580 nm) and red (618 nm) fluorescence, which accurately cover a large visible region and achieve efficient multicolor emission.
View Article and Find Full Text PDFAm J Physiol Gastrointest Liver Physiol
January 2025
Digestive Diseases, Emory University, Atlanta, GA, United States.
The interplay between diet-induced obesity and gastrointestinal dysfunction is an evolving area of research with far-reaching implications for understanding the gutbrain axis interactions. In their study, Ramírez-Maldonado et al. employ a cafeteria (CAF) diet model to investigate the effects on gut microbiota, enteric nervous system (ENS) integrity and function, and gastrointestinal motility in mice.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Science Institute and Faculty of Physical Sciences, University of Iceland, Reykjavík, Iceland.
Understanding the ultrafast vibrational relaxation following photoexcitation of molecules in a condensed phase is essential to predict the outcome and improve the efficiency of photoinduced molecular processes. Here, the vibrational decoherence and energy relaxation of a binuclear complex, [Pt2(P2O5H2)4]4- (PtPOP), upon electronic excitation in liquid water and acetonitrile are investigated through direct adiabatic dynamics simulations. A quantum mechanics/molecular mechanics (QM/MM) scheme is used where the excited state of the complex is modeled with orbital-optimized density functional calculations while solvent molecules are described using potential energy functions.
View Article and Find Full Text PDFInnovation (Camb)
January 2025
Centre for Research in Neuroscience, Brain Repair and Integrative Neuroscience Program, Department of Neurology and Neurosurgery, The Research Institute of the McGill University Health Centre, Montreal, QC H3G 1A4, Canada.
Synapse-specific connectivity and dynamics determine microcircuit function but are challenging to explore with classic paired recordings due to their low throughput. We therefore implemented optomapping, a ∼100-fold faster two-photon optogenetic method. In mouse primary visual cortex (V1), we optomapped 30,454 candidate inputs to reveal 1,790 excitatory inputs to pyramidal, basket, and Martinotti cells.
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