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All-electron basis sets for H to Xe specific for ZORA calculations:Applications in atoms and molecules

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chinese Physics B 2024年第8期33卷 238-246页

作者： c.S.Gomes F.E.Jorge A.canal Neto Departamento de Fisica Universidade Federal do Espirito Santo29075-910 VitoriaESBrazil Departamento de Fisica Instituto de Ciencias Exatas e BiologicasUniversidade Federal de Ouro Preto Campus Universitario Morro do Cruzeiro35402-136 Ouro PretoMGBrazil

A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA *** set was augmented with diffuse functions to describe electrons farther away from the nuclei *** the ZORA-ccSD(T)/QZP-ZORA theoretical model,atomic ionization energies and bond lengths,harmonic vibrational frequencies,and atomization energies of some molecules were *** addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular *** atomization energies,a similar observation emerges when considering spin-orbit *** the augmented QZP-ZORA set,static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental *** evaluations of the ZORA and Douglas–Kroll–Hess Hamiltonians were made for each property studied.

关键词： QZP-ZORA and AQZP-ZORA basis sets elements from H to Xe ccSD(T)method atomic and molecular properties

The preface: Interplay of topological and magnetic orders in the Mn-Bi-Te family

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National Science Review 2024年第2期11卷 6-7页

作者： Fu-chun Zhang Hai-Zhou Lu X.c.Xie Kavli Institute for Theoretical Sciences University of Chinese Academy of Sciences Department of Physics Southern University of Science and Technology (SUSTech) International center for Quantum Materials School of Physics Peking University

The discovery and synthesis of MnBi2Te4in 2013 initially garnered little attention [1]. Yet, the revelation of its topological properties in 2019 [2–6] sparked a surge of research into the MnBiTe family. These extensive studies are primarily driven by two objectives:the realization of a high-temperature quantum anomalous Hall effect （QAHE） and the exploration of exotic phases born from the interplay of topological and magnetic orders,

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Exposure of juvenile chinook salmon to effluent from a large urban wastewater treatment *** *** profiling

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Aquaculture and Fisheries 2024年第3期9卷 367-377页

作者： James P.Meador Suzanne c.Ball c.Andrew James Jenifer K.McIntyre Dept.of Environmental and Occupational Health Sciences School of Public Health4225 Roosevelt Way NESuite 100SeattleWA98105-6099USA Washington State university School of the EnvironmentPuyallup Research and Extension Center2606 W Pioneer AvePuyallupWA98371USA university of Washington Tacoma Center for Urban Waters326 East D StreetTacomaWA98421-1801USA

Targeted metabolomic analysis was conducted on juvenile chinook salmon exposed for 10 days to wastewater effluent(WWE)from a large urban treatment *** included five dilutions of WWE(20%,5.3%,1.4%,0.4%,and 0.1%)and a control with 7 replicates per *** was extracted from fish and analyzed via liquid chromatography–mass spectrometry(Lc-MS)for 361 endogenous metabolites,of which 185 were ***-versus-treatment comparisons identified several metabolites that were associated with altered biochemical pathways observed for all treatments,including several that are important for energy generation and *** altered pathways are crucial for fish health and may be an early indicator of potential adverse effects on growth,reproduction,behavior,and immune *** ocean-type chinook salmon spend several days to weeks in the nearshore estuary where they may encounter high concentrations of WWE *** are exposed to a wide range of potent pharmaceuticals,personal care products,and industrial compounds from WWE that have the potential to affect physiological homeostasis and disrupt their normal life cycle.

关键词： Wastewater effluent Metabolomics Physiology chinook salmon Pharmaceuticals Metabolic pathways Estuary

Dynamic Event-Triggered consensus control for Input constrained Multi-Agent Systems With a Designable Minimum Inter-Event Time

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IEEE/cAA Journal of Automatica Sinica 2024年第3期11卷 649-660页

作者： Meilin Li Yue Long Tieshan Li Hongjing Liang c.L.Philip chen the School of Automation Engineering University of Electronic Science and Technology of ChinaChengdu 611731China IEEE the Yangtze Delta Region Institute University of Electronic Science and Technology of ChinaHuzhou 313000 the Laboratory of Electromagnetic Space cognition and Intelligent control Beijing 100089China the School of computer Science and Engineering South China University of TechnologyGuangzhou 510006

This paper investigates the consensus control of multi-agent systems(MASs) with constrained input using the dynamic event-triggered mechanism(ETM).consider the MASs with small-scale networks where a centralized dynamic ETM with global information of the MASs is first ***,a distributed dynamic ETM which only uses local information is developed for the MASs with large-scale *** is shown that the semi-global consensus of the MASs can be achieved by the designed bounded control protocol where the Zeno phenomenon is eliminated by a designable minimum inter-event *** addition,it is easier to find a trade-off between the convergence rate and the minimum inter-event time by an adjustable ***,the results are extended to regional consensus of the MASs with the bounded control *** simulations show the effectiveness of the proposed approach.

关键词： constrained input designable minimum inter-event time directed communication topology dynamic event-triggered mechanism MASs consensus control

cO oxidation under lean and stoichiometric conditions over ceriazirconia with very low metal contents(cu,co,Ag and Pt)

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Journal of Rare Earths 2024年第9期42卷 1669-1681,I0002页

作者： J.c.Martínez-Munuera M.P.Yeste A.García-García McMA Group Department of Inorganic Chemistry and Institute of MaterialsUniversity of AlicanteCarretera de San Vicente del Raspeig s/n03690San Vicente del RaspeigAlicanteSpain Solid chemistry and catalysis Group Department of Materials ScienceMetallurgic Engineering and Inorganic ChemistryInstitute of Electronic Microscopy and Materials ResearchUniversity of CádizAp.40E-11510Puerto RealCádizSpain

In this work,several ceria-zirconia based catalysts with very lo w(and equimolar) metal contents were prepared,characterised and tested for the cO oxidatio n reaction(under lean and stoichiometric conditions),trying to emulate those conditions found in a diesel oxidation catalyst(DOc) system from a diesel engine and those encountered under gasoline exhaust(λ=1).The metals chosen are cu,co,Ag and Pt(as a reliable benchmark).The results reveal enormous differences among reducibility and catalytic activity despite quite similar structural and textural properties of the catalysts,showing differences among dispersion(Ag-catalyst seems to present a low level of dispersion).This catalyst seems to be characterised,as well,by a strong electronic interaction between ce and Ag centres which is suggested to yield an improved reducibility under H_(2)-TPR ***,the order in catalytic activity(cu>Ag>co≈Pt>>support) seems not to follow the order found in reducibility and the cu-catalyst seems to be the most active independently on the reaction conditions,yielding nearly overlapped cO oxidation catalytic *** restingly,a stro ng correlation between the catalytic activity under the two conditions tested and the OSc values of the ce_(0.8)Zr_(0.2)O_(2)-supported metal catalysts is ***,OSc parameter measured at 150℃ can be used as a relevant descriptor to evaluate the cO oxidation activity at low and medium conversions for the investigated catalysts,much better than the H_(2)-TPR measurements.

关键词： cO oxidation Low metal content ceria-zirconia copper species OSc parameter Rare earths

Prescribed-Time Nash Equilibrium Seeking for Pursuit-Evasion Game

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IEEE/cAA Journal of Automatica Sinica 2024年第6期11卷 1518-1520页

作者： Lei Xue Jianfeng Ye Yongbao Wu Jian Liu D.c.Wunsch Key Laboratory of Measurement and control of complex Systems of Engineering Ministry of EducationNanjing 210096 School of Automation Southeast UniversityNanjing 210096China Department of Electrical and computer Engineering Missouri University of Science and TechnologyRollaMO 65409 USA IEEE

Dear Editor,This letter is concerned with prescribed-time Nash equilibrium(PTNE)seeking problem in a pursuit-evasion game(PEG)involving agents with second-order *** order to achieve the prior-given and user-defined convergence time for the PEG,a PTNE seeking algorithm has been developed to facilitate collaboration among multiple pursuers for capturing the evader without the need for any global ***,it is theoretically proved that the prescribedtime convergence of the designed algorithm for achieving Nash equilibrium of ***,the effectiveness of the PTNE method was validated by numerical simulation results.A PEG consists of two groups of agents:evaders and *** pursuers aim to capture the evaders through cooperative efforts,while the evaders strive to evade *** is a classic noncooperative *** has attracted plenty of attention due to its wide application scenarios,such as smart grids[1],formation control[2],[3],and spacecraft rendezvous[4].It is noteworthy that most previous research on seeking the Nash equilibrium of the game,where no agent has an incentive to change its actions,has focused on asymptotic and exponential convergence[5]-[7].

关键词： seeking prescribed convergence

Exposure of juvenile chinook salmon to effluent from a large urban wastewater treatment *** *** responses

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Aquaculture and Fisheries 2024年第3期9卷 355-366页

作者： Suzanne c.Ball James P.Meador c.Andrew James Jenifer K.McIntyre Washington State university School of the EnvironmentPuyallup Research and Extension Center2606 W Pioneer AvePuyallupWA98371USA Dept.of Environmental and Occupational Health Sciences School of Public Health4225 Roosevelt Way NESuite 100SeattleWA98105-6099USA university of Washington Tacoma Center for Urban Waters326 East D StreetTacomaWA98421-1801USA

Wastewater treatment plants release complex mixtures of chemicals into the aquatic environment as wastewater effluent(WWE);however,the effects of these mixtures are still poorly *** salmon(Oncorhynchus tshawytscha)are a culturally important species in the Pacific Northwest and are a vital food resource for southern resident killer whales(Orcinus orca)that are listed as‘critically endangered’under the *** Species Act(ESA).chinook populations have declined drastically in this region and have failed to show significant recovery despite regional-to-federal efforts,resulting in many populations being listed as threatened under the *** source of stress to juvenile chinook is chemical pollution from WWE during their outmigration along river corridors and residency in *** this study,we investigated effects of WWE on juvenile chinook health in a ten-day exposure to dilutions of WWE from 0.1%to 20%.At the end of the exposure,we measured endpoints associated with endocrine disruption,brain function,osmoregulation,stress,and *** to WWE significantly(α=0.1 for all analyses)induced vitellogenesis,indicating endocrine system *** saw significant reductions in plasma glucose,an indication of stress,and brain Na+/K+-ATPase(NKA)activity,an enzyme essential for neuronal ***,metabolism was affected as evidenced by altered total protein,cholesterol,and albumin in plasma,a drastic decrease in whole body lipid content,and a significant increase in visible liver *** compared contaminant concentrations in exposure water with effects concentrations from the literature for chemicals known to induce vitellogenin or inhibit brain *** most contaminants,concentrations in exposure waters were several orders of magnitude below effects concentrations in the *** exception was estrogenic hormones,which were detected at similar concentrations in this study compared to concentrations in other studies tha

关键词： Wastewater effluent chinook salmon Toxicity Sodium potassium ATPase Vitellogenin Physiology Metabolism Glucose

Generation of Eco-Friendly and Disease-Resistant channel catfish(Ictalurus punctatus)Harboring the Alligator cathelicidin Gene via cRISPR/cas9 Engineering

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Engineering 2024年第8期39卷 273-286页

作者： Jinhai Wang Baofeng Su De Xing Timothy J.Bruce Shangjia Li Logan Bern Mei Shang Andrew Johnson Rhoda Mae c.Simora Michael coogan Darshika u.Hettiarachchi Wenwen Wang Tasnuba Hasin Jacob Al-Armanazi cuiyu Lu Rex A.Dunham School of Fisheries Aquacultureand Aquatic SciencesAuburn UniversityAuburnAL 36849USA

As a precise and versatile tool for genome manipulation,the clustered regularly interspaced short palindromic repeats(cRISPR)/cRISPR-associated protein 9(cas9)platform holds promise for modifying fish traits of *** the aim of reducing transgene introgression and controlling reproduction,upscaled disease resistance and reproductive intervention in catfish species have been studied to lower the potential environmental risks of the introgression of escapees as transgenic *** advantage of the cRISPR/cas9-mediated system,we succeeded in integrating the cathelicidin gene(As-cath)from an alligator(Alligator sinensis)into the target luteinizing hormone(lh)locus of channel catfish(Ictalurus punctatus)using two delivery systems assisted by double-stranded DNA(dsDNA)and single-stranded oligodeoxynucleotides(ssODNs),*** this study,high knock in(KI)efficiency(22.38%,64/286)but low ontarget events was achieved using the ssODN strategy,whereas adopting a dsDNA as the donor template led to an efficient on-target KI(10.80%,23/213).The on-target KI of As-cath was instrumental in establishing the lh knockout(LH^(–)_As-cath^(+))catfish line,which displayed heightened disease resistance and reduced fecundity compared with the wild-type(WT)sibling ***,administration of human chorionic gonadotropin(HcG)and luteinizing hormone-releasing hormone analogue(LHRHa)can restore the reproduction of the transgenic fish ***,we replaced the lh gene with an alligator cathelicidin transgene and then administered hormone therapy to move towards complete reproductive control of diseaseresistant transgenic catfish in an environmentally responsible *** strategy not only effectively improves consumer-valued traits but also guards against unwanted introgression,providing a breakthrough in aquaculture genetics to confine fish reproduction and prevent the establishment of transgenic or domestic genotypes in the natural environment.

关键词： Genome editing ssODN dsDNA Antimicrobial peptide Reproductive confinement Aquaculture

Adaptive neural network control of a 2-DOF helicopter system considering input constraints and global prescribed performance

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Science china(Information Sciences) 2024年第7期67卷 224-239页

作者： Zhijia ZHAO Jiale Wu Zhijie LIu We HE c.L.Philip cHEN School of Mechanical and Electrical Engineering Guangzhou University School of Intelligence Science and Technology and Key Laboratory of Intelligent Bionic unmanned Systems of Ministry of Education University of Science and Technology Beijing School of computer Science and Engineering South China University of Technology Pazhou Lab

In this study, an adaptive neural network(NN) control is proposed for nonlinear two-degree-offreedom(2-DOF) helicopter systems considering the input constraints and global prescribed ***, radial basis function NN(RBFNN) is employed to estimate the unknown dynamics of the helicopter system. Second, a smooth nonaffine function is exploited to approximate and address nonlinear constraint functions. Subsequently, a new prescribed function is proposed, and an original constrained error is transformed into an equivalent unconstrained error using the error transformation and barrier function transformation methods. The analysis of the established Lyapunov function proves that the controlled system is globally uniformly bounded. Finally, the simulation and experimental results on a constructed Quanser's test platform verify the rationality and feasibility of the proposed control.

关键词： adaptive NN control 2-DOF helicopter global prescribed performance input constraints