The method of complex basis functions is applied to molecular resonances at correlated levels of theory. Møller-Plesset perturbation theory at second order and equation-of-motion electron attachment coupled-cluster singles and doubles (EOM-EA-CCSD) methods based on a non-Hermitian self-consistent-field reference are used to compute accurate Siegert energies for shape resonances in small molecules including N, CO, CO, and CHO. Analytic continuation of complex 𝜃-trajectories is used to compute Siegert energies, and the 𝜃-trajectories of energy differences are found to yield more consistent results than those of total energies. The ability of such methods to accurately compute complex potential energy surfaces is investigated, and the possibility of using EOM-EA-CCSD for Feshbach resonances is explored in the context of e-helium scattering.
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http://dx.doi.org/10.1063/1.4986950 | DOI Listing |
Sci Rep
January 2025
Department of Physics, University of Ottawa, Ottawa, ON, K1N 6N5, Canada.
We report a nonlinear terahertz (THz) detection device based on a metallic bull's-eye plasmonic antenna. The antenna, fabricated with femtosecond laser direct writing and deposited on a nonlinear gallium phosphide (GaP) crystal, focuses incoming THz waveforms within the sub-wavelength bull's eye region to locally enhance the THz field. Additionally, the plasmonic structure minimizes diffraction effects allowing a relatively long interaction length between the transmitted THz field and the co-propagating near-infrared gating pulse used in an electro-optic sampling configuration.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Materials Science and Engineering, Nanjing Tech University, Nanjing 211816, PR China. Electronic address:
The carboxymethyl chitosan (CMCS)-based porous beads are still criticized for their limited number of binding sites, which impairs their efficacy in removing aqueous pollutants. To overcome this challenge, this work introduces the production of covalently crosslinked CMCS-based beads containing SiO and poly(2-acrylamido-2-methylpropanesulfonic acid) (PAMPS). The porous composite beads not only possess remarkable stability under acidic conditions, but also have abundant active binding sites for adsorption.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Chemistry and Environmental Sciences, Guangdong Ocean University, Zhanjiang 524088, China. Electronic address:
Low molecular weight fucoidan (LMWF) has been proved to be more potent than its prototype, many degradation methods have been used to prepare LMWF. This study is conducted to further explore the biological activities of LMWF prepared by ultrasound based on anticoagulation, antioxidation, and inhibition of urate induced pyroptosis and reabsorption transporters overexpression in human renal tubular epithelial cells. Data revealed that ultrasound successfully degraded fucoidan to be LMWF, the product treated for no more than 2.
View Article and Find Full Text PDFNeuroscience
January 2025
School of Aerospace Engineering, Xi'an Jiaotong University, Xi'an, China; State Key Laboratory for Strength and Vibration of Mechanical Structures, Xi'an, China; National Demonstration Center for Experimental Mechanics Education, Xi'an Jiaotong University, Xi'an, China. Electronic address:
Schizophrenia (SCHZ), bipolar disorder (BD), and attention-deficit/hyperactivity disorder (ADHD) share clinical symptoms and risk genes, but the shared and distinct neural dynamic mechanisms remain inadequately understood. Degree is a fundamental and important graph measure in network neuroscience, and we here extended the degree to hierarchical levels based on eigenmodes and compared the resting-state brain networks of three disorders and healthy controls (HC). First, compared to HC, SCHZ and BD patients exhibited substantially overlapped abnormalities in brain networks, wherein BD patients displayed more significant alterations.
View Article and Find Full Text PDFMicrob Pathog
January 2025
Department of Plant Protection, Faculty of Agriculture, Azarbaijan Shahid Madani University, Tabriz, Iran.
This study aimed to achieve two main objectives: first, to determine whether the virulence factors of symbiotic bacteria of entomopathogenic nematodes (EPNs) against insect hosts are cell-associated or secreted, and to shed light on the underlying mechanisms of pathogenicity; and second, to identify and evaluate the standalone pathogenicity of symbiotic bacteria associated with entomopathogenic nematodes against Tenebrio molitor. Three bacterial species, Xenorhabdus nematophila (A41, SC, A18 and SF), Photorhabdus kayaii, and P. thracensis, were isolated and characterized via phylogenetic analysis of 16S-rRNA and gyrB genes.
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