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HDPairFinder:A data processing platform for hydrogen/deuterium isotopic labeling-based nontargeted analysis of trace-level amino-containing chemicals in environmental water

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journal of Environmental Sciences 2024年第2期136卷 583-593页

作者： Tingting Zhao Kristin Carroll Caley B.Craven Nicholas j.P.Wawryk Shipei xing j.an Guo xing-Fang Li Tao Huan Department of Chemistry Faculty of ScienceUniversity of British ColumbiaVancouver Campus2036 Main MallVancouverBritish ColumbiaV6T 1Z1Canada Division of Analytical and Environmental Toxicology Department of Laboratory Medicine and PathologyFaculty of Medicine and DentistryUniversity of AlbertaEdmontonAlberta T6G 2G3Canada

The combination of hydrogen/deuterium(H/D)formaldehyde-based isotopic methyl labeling with solid-phase extraction and high-performance liquid chromatography–high resolution mass spectrometry(HPLC-HRMS)is a powerful analytical solution for nontargeted analysis of trace-level amino-containing chemicals in water *** the huge amount of chemical information generated in HPLC-HRMS analysis,identifying all possible H/Dlabeled amino chemicals presents a significant challenge in data *** address this,we designed a streamlined data processing pipeline that can automatically extract H/D-labeled amino chemicals from the raw HPLC-HRMS data with high accuracy and ***,we developed a cross-correlation algorithm to correct the retention time shift resulting from deuterium isotopic effects,which enables reliable pairing of H-and D-labeled ***,we implemented several bioinformatic solutions to remove false chemical features generated by in-source fragmentation,salt adduction,and natural13C ***,we used a data mining strategy to construct the AMINES library that consists of over 38,000 structure-disjointed primary and secondary amines to facilitate putative compound ***,we integrated these modules into a freely available R program,*** rationale of each module was justified and its performance tested using experimental H/D-labeled chemical standards and authentic water *** further demonstrated the application of HDPairFinder to effectively extract N-containing contaminants,thus enabling the monitoring of changes of primary and secondary N-compounds in authentic water *** is a reliable bioinformatic tool for rapid processing of H/D isotopic methyl labeling-based nontargeted analysis of water samples,and will facilitate a better understanding of N-containing chemical compounds in water.

关键词： Isotope labeling Nontargeted analysis Reactive N-compounds HPLC-HRMS Source water

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Impact of Mo/Ni alloying on microstructural modulation and low-temperature toughness of high-strength low-alloy steel

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journal of Iron and Steel Research International 2024年第7期31卷 1746-1762页

作者： Wei Liu Hong-li Zhao Bing-xing Wang Yong Tian State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang 110819LiaoningChina

The high-strength low-alloy steel plates with varying Ni/Mo contents were manufactured using the thermos-mechanical control *** investigation was conducted to explore the effect of Ni/Mo microalloying on microstructure evolution and mechanical properties of the *** results revealed that the increase in Ni content from 1 to 2 wt.%reduced the transition temperature of ferrite and the growth range of ferritic grain was narrowed,which promoted grain *** optimized combination of grain size,high-angle grain boundaries(HAGBs),and martensite-austenite(M-A)islands parameter contributed to the excellent impact toughness of S1 steel at-100℃(impact absorbed energy of 218.2 j.at-100℃).As the Mo increases from 0 to 2 wt.%,the matrix structure changes from multiphase structure to granular bainite,which increases the average effective grain size to~4.62 pm and reduces HAGBs proportion to~36.22%.With these changes,the low-temperature impact toughness of S3 steel is *** addition,based on the analysis of the characteristics of crack propagation path,it was found that M-A islands with low content(~2.21%)and small size(~1.76 pm)significantly retarded crack propagation,and the fracture model of M-A islands with different morphologies was further ***,correlation between behaviour of delamination and toughness was further analysed by observing delamination size and impact energy parameters.

关键词： High-strength low-alloy steel Microstructural regulation Ni addition Mo addition Crack propagation Low-temperature toughness

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Completeness of Induced Cotorsion Pairs in Representation Categories of Rooted Quivers

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Acta Mathematica Sinica,English Series 2024年第10期40卷 2436-2452页

作者： Zhen xing DI Li Ping LI Li LIANG Fei XU School of Mathematical Sciences Huaqiao University LCSM (Ministry of Education) School of Mathematics and Statistics Hunan Normal University Department of Mathematics Lanzhou Jiaotong University Gansu Provincial Research Center for Basic Disciplines of Mathematics and Statistics Department of Mathematics Shantou University

This paper focuses on a question raised by Holm and j?rgensen, who asked if the induced cotorsion pairs(Φ（X）, Φ（X）⊥) and(⊥Ψ（Y）, Ψ（Y）) in Rep（Q, A）—the category of all A-valued representations of a quiver Q—are complete whenever（X, Y） is a complete cotorsion pair in an abelian category A satisfying some mild conditions. We give an affirmative answer if the quiver Q is rooted. As an application, we show under certain mild conditions that if a subcategory L, which is not necessarily closed under direct summands, of A is special precovering（resp., preenveloping）, then Φ（L）(resp.,Ψ（L）) is special precovering（resp., preenveloping） in Rep（Q, A）.

关键词： 16G20 18G25 complete cotorsion pair Rooted quiver special precovering (preenveloping) subcategory

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Electrical tree degradation of MgO/epoxy resin composites at different voltage frequencies

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High Voltage 2024年第3期9卷 581-590页

作者： Yunxiao Zhang Wenxin Lin Yuanxiang Zhou Weiwei xing j.ayu Cheng Chenyuan Teng College of Electrical Engineering and Automation Fuzhou UniversityFujian Key Laboratory of New Energy Generation and Power ConversionFuzhouChina State Key Laboratory of Control and Simulation of Power Systems and Generation Equipment Department of Electrical EngineeringTsinghua UniversityBeijingChina

Electrical tree degradation is one of the main causes of insulation failure in high-frequency *** tree degradation is studied on pure epoxy resin(EP)and MgO/EP composites at frequencies ranging from 50 Hz to 130 *** results show that the tree initiation voltage of EP decreases,while the growth rate and the expansion coefficient increase with ***,the bubble phenomenon at high frequencies in EP composites is *** with trap distribution character-istics within the material,the intrinsic mechanism of epoxy composites to inhibit the growth of the electrical tree at different frequencies is *** can be concluded that more deep traps and blocking effect are introduced by doping nano-MgO into EP bulks,which can improve the electrical tree resistance performance of EP composites in a wide frequency range.

关键词： composites tree Electrical

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Surface decoration of mesocarbon microbeads with multifunctional TiNbO_(4-x)@C coating layer as high rate and stable anode of Li-ion batteries

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Rare Metals 2024年第5期43卷 2053-2066页

作者： j.a-Mei Lai Zhi-Min Zou Yu Bai Yu-Tao xing Chun-Hai j.ang Fuj.an Provincial Key Laboratory of Functional Materials and Applications Institute of Advanced Energy MaterialsSchool of Materials Science and EngineeringXiamen University of TechnologyXiamen 361024China Shanghai XFH Science and Technology Development Co. Ltd.Shanghai 200949China Fuj.an XFH New Energy Materials Co. Ltd.Yong'an 366000China Shenzhen XFH Science and Technology Co. Ltd.Shenzhen 518071China Laboratorio de Microscopia Eletronica de Alta Resolucao Centro de Caracterizagao Avangada Para a Industria de Petroleo(LaMAR/CAIPE)Universidade Federal FluminenseNiteroiRJ 24210-346Brazil

Surface modification of graphite anode with electroactive matters has been proven of a more practical strategy in enhancing the performance of Li-ion batteries than exploring alternative novel anode ***,rutile TiNbO_(4-x) nanoparticles with a tunnel structure are employed as multifunctional decoration substances in combination with a carbon coating layer to improve the rate and cycle properties of mesocarbon microbeads(MCMBs).As compared to pristine MCMB,the Li^(+)diffusion coefficients of the composite anodes are enhanced due to the synergistic effect of TiNbO_(4-x)@***,the overcharge and voltage polarization of the composite anodes at high rate are obviously minimized due to the current sharing effect of the high-potential TiNbO_(4-x).Moreover,the amorphous Li_(y)TiNbO_(4-x) converted from TiNbO_(4-x) in the initial lithiation process can deliver pseudocapacitive capacity to the composite anodes from the second *** of these functions of TiNbO_(4-x)@Ccoating layer have directly contributed to the improved rate and cycle performance of the MCMB/TiNbO_(4-x)@C composite *** one containing 12.0 wt%TiNbO_(4-x) exhibits a high reversible specific capacity of 118 m Ah·g^(-1)at 10C(1C=372 m A·g^(-1)),together with a high capacity retention of 90.9%after 300 cycles at 3C,which are all much superior to those of pristine MCMB.

关键词： Li-ion batteries MCMB TiNbO_(4-x)@C Surface decoration Rate capability

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Syntheses of new di-nuclear and tetra-nuclear lanthanide 9-anthracenecarboxylates:Magnetocaloric effect,slow magnetic relaxation and luminescent properties

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journal of Rare Earths 2024年第6期42卷 1101-1109,I0004页

作者： xing Liu Ruonan Yang Lu Zhang j.an Zhou Chunmei Huang Huahong Zou Zunhong Xiao Chongqing Key Laboratory of Inorganic Functional Materials College of ChemistryChongqing Normal UniversityChongqing401331China Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China) School of Chemistry and Chemical Engineering of Guangxi Normal UniversityGuilin541004China School of Chemistry and Materials Guizhou Normal UniversityGuiyang550025China

Lanthanide complex-based materials with magnetic and luminescent properties have received a great deal of attention,owing to their importantly potential applications in diverse *** this work,the 9-anthracenecarboxylic acid(9-Haca)as bridging ligand was applied in combination with optically activeπ-conjugated 2,4,6-tri(2-pyridyl)-1,3,5-triazine(tptz)to construct a series of new di-nuclear and tetranuclear lanthanide 9-anthracenecarboxylates[La_(2)(9-aca)_(6)(tptz)_(2)(μ-H_(2)O)]·0.25H_(2)O(1),[Ln_(2)(9-aca)_(6)(tptz)_(2)(H_(2)O)_(2)]·0.5AQ·CH_(3)COOH_(2)H_(2)O[Ln=Sm(2a),Eu(2b),Gd(2c),Tb(2d),Dy(2e),Tm(2f);AQ=9,10-anthracenedione]and[Ln_(4)(9-aca)_(10)(tptz)_(2)(CH3COO)2]·H_(2)O[Ln=Eu(3a),Gd(3b),Dy(3c)].1 displays a di-nuclear centrosymmetric moiety[La_(2)(9-aca)_(6)(tptz)_(2)(μ-H_(2)O)]built up from two complex[La(9-aca)_(2)(tptz)]groups bridged by one H_(2)O molecule and two syn-syn-μ2-η1:η1-9-aca-bridging ligands,while 2a-2f are isostructural and co mprise another di-nuclear centrosymmetric moieties[Ln_(2)(9-aca)_(6)(tptz)_(2)(H_(2)O)_(2)]based on two complex[Ln(9-aca)_(2)(tptz)(H_(2)O)]groups connected by two syn-syn-μ2-η1:η1-9-aca-bridging ligands,3a-3c are isostructural and show tetra-nuclear centro symmetric moieties[Ln4(9-aca)10(tptz)2(CH3COO)2]containing three types of coordination modes of *** present compounds offer the only examples of lanthanide 9-anthracenecarboxylates decorated by optically active *** investigations of 2a,2c-2f,and 3b-3c indicate that 3c is typical of slow relaxation of the magnetization,while 2c and 3b show significant magnetocaloric effect(MCE)with the value of-ΔSm of 5.26 j/(kg·K)at 4 K and 15.65 j/(kg·K)at 2 K(ΔH=7 T),*** luminescent properties were also studied and reveal that the characteristic luminescent properties of the 7r-conjugated aromatic ligands are introduced into magnetic lanthanide 9-anthracenecarboxylates,simultaneously exhibiting slow magnetic relaxation(or MCE)and luminescen

关键词： Lanthanide complexes Luminescence Magnetic properties Magnetocaloric effect Slow magnetic relaxation Rare earths

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Effect of Active–Passive Deformation on the Thrust by the Pectoral Fins of Bionic Manta Robot

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journal of Bionic Engineering 2024年第2期21卷 718-728页

作者： Yang Lu Shaomin Meng Cheng xing Yiwei Hao Yonghui Cao Guang Pan Yong Cao School of Marine Science and Technology Northwestern Polytechnical UniversityXi’an710072China Unmanned Vehicle Innovation Center Ningbo Institute of NPUNingbo315103China State Key Lab of Fluid Power and Mechatronic Systems School of Mechanical EngineeringZhejiang UniversityHangzhou310027China Zhej.ang Key Laboratory of Advanced Manufacturing Technology School of Mechanical EngineeringZhejiang UniversityHangzhou310027China

Bionic manta underwater vehicles will play an essential role in future oceans and can perform tasks,such as long-duration reconnaissance and exploration,due to their efficient *** manta wings’deformation is evident during the swimming *** improve the propulsion performance of the unmanned submersible,the study of the deformation into the bionic pectoral fin is *** this research,we designed and fabricated a flexible bionic pectoral fin,which is based on the Fin Ray®effect with active and passive deformation(APD)*** APD fin was actively controlled by two servo motors and could be passively deformed to variable *** APD fin was moved at 0.5 Hz beat frequency,and the propulsive performance was experimentally verified of the bionic pectoral fins equipped with different extents of *** results showed that the pectoral fin with active–passive deformed capabilities could achieve similar natural biological deformation in the wingspan *** average thrust(T)under the optimal wingspan deformation is 61.5%higher than the traditional passive deformed pectoral *** obtained results shed light on the design and optimization of the bionic pectoral fins to improve the propulsive performance of unmanned underwater vehicles(UUV).

关键词： Manta ray Bionic pectoral fin Fin Ray®effect Active-passive deformation(APD)

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Bismuth-based halide double perovskite Cs_(2)KBiCl_(6): Disorder and luminescence

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Chinese Chemical Letters 2024年第5期35卷 504-508页

作者： Pan Liu Yanming Sun Alberto j.Fernández-Carrión Bowen Zhang Hui Fu Lunhua He xing Ming Congling Yin Xiaojun Kuang MOE Key Laboratory of New Processing Technology for Nonferrous Metal and Materials Guangxi Key Laboratory of Optic and Electronic Materials and DevicesCollege of Materials Science and EngineeringGuilin University of TechnologyGuilin 541004China Analytical Instrumentation Center College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China Spallation Neutron Source Science Center Dongguan 523803China Chinese Academic of Science Institute of PhysicsBeijing National Laboratory for Condensed Matter PhysicsBeijing 100190China Songshan Lake Materials Laboratory Dongguan 523808China College of Science Guilin University of TechnologyGuilin 541004China College of Chemistry and Bioengineering Guilin University of TechnologyGuilin 541004China

A new bismuth-based halide double perovskite Cs_(2)KBiCl_(6) was isolated successfully through solid-state reactions and investigated using X-ray and neutron *** than an ordered structure,the crystal structure consists of shifted Cs,K,Bi,and Cl sites from the ideal positions with fractional occupancy in compensation,leading to variable local coordination of Cs^(+)ions,as revealed by^(133)Cs solid-state nuclear magnetic resonance ***_(2)KBiCl_(6) displays volume hysteresis at 5-298 K range upon heating and *** Cs_(2)KBiCl_(6) has a direct bandgap of 3.35(2)eV and red-shift luminescence of around 600 nm upon Mn doping compared with the Na *** stabilization of disordered structure in Cs_(2)KBiCl_(6) is related to two factors including the large-sized K^(+)cation which prefers to coordinate with more than six Cl^(-),and the Bi^(3+)with 6s^(2) lone pair which has a preference for a local asymmetric *** findings could have general application and help to understand the structure and property of halide perovskites.

关键词： Halide perovskite Double perovskite Luminescence Disordered structure Direct bandgap

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Controllable nucleation and deformation of skyrmions on surface of magnetic nanotubular monolayer

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Rare Metals 2024年第7期43卷 3250-3259页

作者： Xin-Xin Zhang Chen-Yu Zhang Yi-Xin xing Chao Man j.ao Liu Yong Hu Department of Physics College of SciencesNortheastern UniversityShenyang 110819China School of Materials and Mineral Resources Engineering Universiti Sains MalaysiaEngineering Campus14300 Nibong TebalPenangMalaysia State Key Laboratory of Rolling and Automation Northeastern UniversityShenyang110819China

Magnetic skyrmions emerge when the energy of ferromagnetic exchange interaction promoting parallel alignment of spins enters in competition with energies favoring non-collinear alignment of spins such as Dzy aloshinskii-Moriya interaction(DMI),long-rang dipole-dipole interaction(DDI),or higher-order exchange *** perform an unbiased Monte Carlo simulation to study the DMI-based skyrmion nucleation and stabilization on the surface of magnetic nanotubular monolayer controlled by tuning constants of DDI(g) and next-nearest-neighbor antiferromagnetic exchange interaction(j') with appropriate *** g and j',the loosely distributed skyrmions initially nucleate on the surface of nanotube approaching to the magnetic field(h) direction with increasing h in the intermediate ***,the skyrmion size,shape,density,distribution and crystal structure,as well as its driven field range,are tailored by g and j'.This work demonstrates the skyrmion nucleation mechanisms in three-dimensional magnetic nanostructures with curvature effect and multiple interactions,serving as a benchmark for a guide to experimentalists for preparation of samples in magnetic skyrmion states.

关键词： Magnetic nanotube Magnetic skyrmion Dzyaloshinskii-Moriya interaction Dipole-dipole interaction Monte Carlo simulation

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Kinetic study and DFT calculation on the tetracycline abatement by peracetic acid

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Chinese Chemical Letters 2024年第9期35卷 346-350页

作者： Dan-Ying xing Xiao-Dan Zhao Chuan-Shu He Bo Lai College of Chemical Engineering Huaqiao UniversityXiamen 361021China State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China

Water contamination by tetracycline(TC)has emerged as an environmental concern owing to its widespread use and antibiotic *** of peracetic acid(PAA)in the water and wastewater treatment has recently been proposed and demonstrated to be effective for TC abatement,yet the underlying reaction kinetics between the PAA and TC are not yet *** explore the reaction kinetics,the effect of solution pH on TC abatement by PAA is studied and the species-specific rate constants are *** ability to donate and accept electrons for different species of TC and PAA is evaluated via density functional theory(DFT)*** pH-dependent apparent second-order rate constants of TC abatement by PAA exhibits the parabolic shape with the maximum at p H 8.5(9.75 L mol^(-1)s^(-1)).This phenomenon is closely related to the speciation of TC and PAA,in which the reaction between PAAH and TTC^(2-)possesses the highest species-specific rate constants according to the kinetic *** DFT calculations suggest that the HOMO of TTCH^(+),TTC,TTC^(-),TTC^(2-)and the LUMO of PAAH and PAA-are–6.40,–6.26,–5.10,–4.94 e V and–0.24,0.60 e V,*** to the DFT calculations,deprotonation of TC and PAA leads to an increase of the HOMO value of TC and the LUMO value of ***,the HOMOTC–LUMOPAAvalues is in good agreement with the trend of species-specific rate constants,which can be used to evaluate the reactivity between PAA and TC with different *** study provides the kinetic data and theoretical basis for the reaction of PAA and TC,which is critical for the application of PAA in the treatment of water and wastewater.

关键词： Peracetic acid Tetracycline Kinetics Rate constants DFT calculation

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