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

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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Dynamic asymmetric mechanical responsive carbon nanotube fiber for ionic logic gate

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Chinese Chemical Letters 2024年第6期35卷 249-253页

作者： Pei Cao Yilan Wang Lejian Yu Miao Wang Liming zhao xu Hou State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China The Higher Educational Key Laboratory for Biomedical Engineering of Fujian Province Department of BiomaterialsResearch Center of Biomedical Engineering of XiamenCollege of MaterialsXiamen UniversityXiamen 361005China Key Laboratory of Multifunctional Nanomaterials and Smart Systems Advanced Materials DivisionSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China Institute of Artificial Intelligence Xiamen UniversityXiamen 361005China Department of Physics Research Institute for Biomimetics and Soft MatterFujian Provincial Key Laboratory for Soft Functional Materials ResearchJiujiang Research InstituteCollege of Physical Science and TechnologyXiamen UniversityXiamen 361005China Engineering Research Center of Electrochemical Technologies of Ministry of Education Xiamen UniversityXiamen 361005China

Inspired by biological ion channels,numerous artificial asymmetric ion channels have been synthesized to facilitate the fabrication of ionic ***,the creation of biomimetic asymmetric ion channels necessitates expensive scientific apparatus and intricate material processing procedures,which constrains its advancement within the realm of ionic *** this study,we have devised dynamic asymmetric ion channels with mechanical responsiveness by combining polymers of varying elastic modulus along the longitudinal axis of carbon nanotube fiber(CNTF).The ion rectification can be modulated via the disparate response of CNTF-based ion channels to mechanical *** have effectively employed these asymmetric ion channels with mechanical sensitivity in the design of a logic gate device,achieving logic operations such as“AND”and“OR”.The conception of these dynamic asymmetric ion channels with mechanical sensitivity offers a straightforward,cost-effective,and versatile approach for generating ion channels,highlighting their potential application in intricate,highly integrated ionic circuits.

关键词： Carbon nanotubes fibers Mechanical response Rectification effect Ionic logic gate

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A 9.5-kb deletion in the 1st intron of OsMADS51 enhances temperature sensitivity in rice

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The Crop journal 2024年第4期12卷 1031-1040页

作者： Lei zhao Haifei Hu junyu Chen Chongrong Wang Yibo Chen Hong Li Daoqiang Huang Zhidong Wang Degui Zhou Rong Gong Yangyang Pan junliang zhao Liangyong Ma Shaochuan Zhou Rice Research Institute Guangdong Academy of Agricultural SciencesGuangzhou 510640GuangdongChina State Key Laboratory of Rice Biology and Chinese National Center for Rice Improvement China National Rice Research InstituteHangzhou 310006ZhejiangChina Guangdong Laboratory for Lingnan Modern Agriculture Guangzhou 510640GuangdongChina Key Laboratory of Genetics and Breeding of High Quality Rice in Southern China(Co-construction by Ministry and Province) Ministry of Agriculture and Rural AffairsGuangzhou 510640GuangdongChina Guangdong Rice Engineering Laboratory Guangzhou 510640GuangdongChina Guangdong Key Laboratory of New Technology in Rice Breeding Guangzhou 510640GuangdongChina

Temperature is an important environmental factor affecting heading date of *** its importance,genes responsible for temperature-sensitive heading in rice have remained *** previous study identified a quantitative trait locus qHd1 which advances heading date under high temperatures.A 9.5-kb insertion was found in the first intron of OsMADS51 in indica variety Zhenshan 97(ZS97).However,the function of this natural variant in controlling temperature sensitivity has not been *** this study,we used CRISPR/Cas9 to knock out the 9.5-kb insertion in *** conducted under cotrolled conditions in phytotrons confirmed that deletion increased temperature sensitivity and advanced heading by downregulating the expression level of ***-hybrid assays in yeast,ChIP-quantitative polymerase chain reaction,electrophoretic mobility shift,and luciferase-based transient transactivation assays collectively confirmed that OsMADS51 affects heading date by regulation of heading date gene *** further determined that the long non-coding RNA HEATINR is generated from the first intron of OsMADS51,offering an explanation for how the 9.5-kb insertion affects temperature *** also found that OsMADS51 was strongly selected in early/late-season rice varieties in South China,possibly accounting for their strong temperature *** insights not only advance our understanding of the molecular mechanisms underlying the temperature-responsive regulation of heading date in rice but also provide a valuable genetic target for molecular breeding.

关键词： OsMADS51 Insertion Long non-coding RNA Oryza sativa

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Phase evolution,hydrogen storage thermodynamics,and kinetics of ternary Mg_(98)Ho_(1.5)Fe_(0.5) alloy

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journal of Rare Earths 2024年第9期42卷 1800-1808,I0006页

作者： jinming Liu Hui Yong Yang zhao Shuai Wang Yiwan Chen Baosheng Liu jifan Hu Yanghuan Zhang College of Materials Science and Engineering Taiyuan University of Science and TechnologyTaiyuan030024China China Institute of Ocean Engineering(Tsing Tao) Qingdao266000China Key Laboratory of Integrated Exploitation of Baiyun Obo Multi-Metal Resources Inner Mongolia University of Science and TechnologyBaotou014010China

Rare earth elements and transition metals have been found to improve the hydrogen storage characteristics of magnesium-based *** study investigated the Mg-Ho-Fe(MHF) ternary alloy prepared using the vacuum induction melting technique.x-ray diffraction(xRD),scanning electron microscopy(SEM),transmission electron microscopy(TEM),pressure-composition-temperature(PCT),and differential scanning calorimetry(DSC) were used to analyze the alloy's phase transitions,microstructure,thermodynamics,and kinetic *** results reveal that the Mg_(98)Ho_(1.5)Fe_(0.5) alloy forms a solid solution with Ho and Fe in the magnesium *** hydrogen absorption,the activated alloy transforms into a mixture of Mg/MgH_(2) phases and nanoscale HoH_(2) ***,only the MgH_(2) phase decomposes during hydrogen desorption,while the HoH_(2) phase remains unchanged,exhibiting a positive catalytic *** alloy demonstrates excellent hydrogen absorption kinetics,achieving a capacity of 5.56 wt% H_(2) within 10 min at 360℃,owing to the combined catalytic effects of Ho and *** activation energy for hydrogen desorption is found to be 135.87 kj/mol,which is lower than that of the activation energies of pure MgH_(2) and MgFe alloys,indicating an enhancement in desorption ***,the enthalpy and entropy changes for hydrogen absorption and desorption are determined to be-70.51 kj/mol H_(2),-125.62 j/(K·mol) H_(2),72.83 kj/mol H_(2),and 128.95 j/(K·mol) H_(2),***,it is worth noting that the thermodynamic properties of the alloy are improved due to the catalytic effect of Ho and Fe.

关键词： Rare earths Magnesium-based hydrogen storage Hydrogen storage thermodynamics Hydrogen storage kinetics

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Effect of electrical parameters and slag system on macrostructure of electroslag ingot

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China Foundry 2024年第1期21卷 44-50页

作者： Bing-jie Wang Yu Wang Meng-jun Wang Lei zhao Li-zhong Chang xiao-fang Shi School of Metallurgy engineering Anhui University of TechnologyMa'anshan 243002AnhuiChina

To investigate the influence of electric parameters and slag system on the solidification quality of electroslag ingot during electroslag remelting,different power supply modes,current strengths and remelting slag systems were used to conduct electroslag remelting experiments on 304L austenitic stainless steel,and the macrostructure of electroslag ingots was *** results indicate that the depth of the metal pool decreases with the reduction of remelting frequency in the low frequency power supply *** effects of different power supply modes,such as low-frequency,direct current straight polarity(DCSP),and direct current reverse polarity(DCRP),on reducing the depth of the metal pool increase in that *** reducing the remelting current strength in the same power supply mode,the depth of metal pool is *** compared to the binary slag system of 70%CaF2+30%Al2O3,the ternary slag system of 60%CaF2+20%Al2O3+20%CaO is more effective in reducing the depth of the metal pool during *** the 60%CaF2+20%Al2O3+20%CaO ternary slag system results in a shallower and flatter metal pool,with columnar crystal growth occurring closer to the axial *** effect is observed for both low frequency and direct current(DC)power supply modes.

关键词： electroslag remelting frequency slag system solidification quality

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Plastic Crystal Neopentyl Glycol/Multiwall Carbon Nanotubes Composites for Highly Efficient Barocaloric Refrigeration System

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journal of Thermal Science 2024年第1期33卷 383-393页

作者： DAI zhaofeng SHE xiaohui SHAO Bohan YIN Ershuai DING Yulong LI Yongliang ZHANG xiaosong zhao Dongliang School of Energy&Environment Southeast UniversityNanjing 210096China School of Mechanical Engineering Shijiazhuang Tiedao UniversityShijiazhuang 050043China School of Energy and Power Engineering Nanjing University of Science&TechnologyNanjing 210094China Birmingham Centre for Energy Storage School of Chemical EngineeringUniversity of BirminghamBirmingham B152TTUK

Plastic crystal neopentyl glycol(NPG)exhibits colossal barocaloric effect with high entropy ***,their application is restricted in several aspects,such as low thermal conductivity,substantial supercooling effect,and poor springback *** this work,multi-walled carbon nanotubes(MWCNTs)with ultra-high thermal conductivity and high mechanical strength were selected for performance enhancement of *** optimal mixing ratio was determined to be NPG with 3 wt%MWCNTs composites,which showed a 6K reduction in supercooling without affecting the phase change ***,comprehensive performance of the composites with optimal mixing ratio was compared with pure NPG At 40 MPa,390j·K^(-1)·kg^(-1)change in entropy and 9.9 K change in temperature were ***,the minimum driving pressure required to achieve reversible barocaloric effect was reduced by 19.2%.In addition,the thermal conductivity of the composite was increased by approximately 28%,significantly reducing the heat exchange time during a barocaloric refrigeration *** importantly,ultra-high pressure release rate resulted in a73.7%reduction in the springback time of the composites,offering new opportunities for the recovery of expansion work.

关键词： barocaloric refrigeration neopentyl glycol MWCNTs performance enhancement

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Determination of the number ofψ(3686)events taken at BESⅢ

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Chinese Physics C 2024年第9期48卷 8-20页

作者： M.Ablikim M.N.Achasov P.Adlarson O.Afedulidis x.C.Ai R.Aliberti A.Amoroso Q.An Y.Bai O.Bakina I.Balossino Y.Ban H.-R.Bao V.Batozskaya K.Begzsuren N.Berger M.Berlowski M.Bertani D.Bettoni F.Bianchi E.Bianco A.Bortone I.Boyko R.A.Briere A.Brueggemann H.Cai x.Cai A.Calcaterra G.F.Cao N.Cao S.A.Cetin j.F.Chang G.R.Che G.Chelkov C.Chen C.H.Chen Chao Chen G.Chen H.S.Chen H.Y.Chen M.L.Chen S.j.Chen S.L.Chen S.M.Chen T.Chen x.R.Chen x.T.Chen Y.B.Chen Y.Q.Chen Z.j.Chen Z.Y.Chen S.K.Choi G.Cibinetto F.Cossio j.j.Cui H.L.Dai j.P.Dai A.Dbeyssi R.E.de Boer D.Dedovich C.Q.Deng Z.Y.Deng A.Denig I.Denysenko M.Destefanis F.De Mori B.Ding x.x.Ding Y.Ding Y.Ding j.Dong L.Y.Dong M.Y.Dong x.Dong M.C.Du S.x.Du Y.Y.Duan Z.H.Duan P.Egorov Y.H.Fan j.Fang j.Fang S.S.Fang W.x.Fang Y.Fang Y.Q.Fang R.Farinelli L.Fava F.Feldbauer G.Felici C.Q.Feng j.H.Feng Y.T.Feng M.Fritsch C.D.Fu j.L.Fu Y.W.Fu H.Gao x.B.Gao Y.N.Gao Yang Gao S.Garbolino I.Garzia L.Ge P.T.Ge Z.W.Ge C.Geng E.M.Gersabeck A.Gilman K.Goetzen L.Gong W.x.Gong W.Gradl S.Gramigna M.Greco M.H.Gu Y.T.Gu C.Y.Guan Z.L.Guan A.Q.Guo L.B.Guo M.j.Guo R.P.Guo Y.P.Guo A.Guskov j.Gutierrez K.L.Han T.T.Han F.Hanisch x.Q.Hao F.A.Harris K.K.He K.L.He F.H.Heinsius C.H.Heinz Y.K.Heng C.Herold T.Holtmann P.C.Hong G.Y.Hou x.T.Hou Y.R.Hou Z.L.Hou B.Y.Hu H.M.Hu j.F.Hu S.L.Hu T.Hu Y.Hu G.S.Huang K.x.Huang L.Q.Huang x.T.Huang Y.P.Huang T.Hussain F.Hölzken N.Hüsken N.in der Wiesche j.jackson S.janchiv j.H.jeong Q.ji Q.P.ji W.ji x.B.ji x.L.ji Y.Y.ji x.Q.jia Z.K.jia D.jiang H.B.jiang P.C.jiang S.S.jiang T.j.jiang x.S.jiang Y.jiang j.B.jiao j.K.jiao Z.jiao S.jin Y.jin M.Q.jing x.M.jing T.johansson S.Kabana N.Kalantar-Nayestanaki x.L.Kang x.S.Kang M.Kavatsyuk B.C.Ke V.Khachatryan A.Khoukaz R.Kiuchi O.B.Kolcu B.Kopf M.Kuessner x.Kui N.Kumar A.Kupsc W.Kühn j.j.Lane P.Larin L.Lavezzi T.T.Lei Z.H.Lei M.Lellmann T.Lenz C.Li C.Li C.H.Li Cheng Li D.M.Li F.Li G.Li H.B.Li H.j.Li H.N.Li Hui Li j.R.Li j.S.Li Ke Li L.j.Li L.K.Li Lei Li M.H.Li P.R.Li Q.M.Li Q.x.Li R.Li S.x.Li T.Li W.D.Li W.G.Li x.Li x.H.Li x.L.Li x.Z.Li xi Institute of High Energy Physics Beijing 100049China Beihang University Beijing 100191China Bochum Ruhr-University D-44780BochumGermany Budker Institute of Nuclear Physics SB RAS(BINP) Novosibirsk 630090Russia Carnegie Mellon University PittsburghPennsylvania 15213USA Central China Normal University Wuhan 430079China Central South University Changsha 410083China China Center of Advanced Science and Technology Beijing 100190China China University of Geosciences Wuhan 430074China Chung-Ang University Seoul06974Republic of Korea COMSATS University Islamabad Lahore CampusDefence RoadOff Raiwind Road54000LahorePakistan Fudan University Shanghai 200433China GSI Helmholtzcentre for Heavy Ion Research GmbH D-64291DarmstadtGermany Guangxi Normal University Guilin 541004China Guangxi University Nanning 530004China Hangzhou Normal University Hangzhou 310036China Hebei University Baoding 071002China Helmholtz Institute Mainz Staudinger Weg 18D-55099MainzGermany Henan Normal University Xinxiang 453007China Henan University Kaifeng 475004China Henan University of Science and Technology Luoyang 471003China Henan University of Technology Zhengzhou 450001China Huangshan College Huangshan 245000China Hunan Normal University Changsha 410081China Hunan University Changsha 410082China Indian Institute of Technology Madras Chennai 600036India Indiana University BloomingtonIndiana 47405USA INFN Laboratori Nazionali di Frascati (A)INFN Laboratori Nazionali di FrascatiI-00044FrascatiItaly(B)INFN Sezione di PerugiaI-06100PerugiaItaly(C)University of PerugiaI-06100PerugiaItaly INFN Sezione di Ferrara (A)INFN Sezione di FerraraI-44122FerraraItaly(B)University of FerraraI-44122FerraraItaly Inner Mongolia University Hohhot 010021China Institute of Modern Physics Lanzhou 730000China Institute of Physics and Technology Peace Avenue 54BUlaanbaatar 13330Mongolia Instituto de Alta Investigación Universidad de TarapacáCasilla 7DArica 1000000Chile jilin University Changchun 130012China joha

The number ofψ(3686)events collected by the BESⅢdetector during the 2021 run period is determined to be(2259.3±11.1)×10~6 by counting inclusiveψ(3686)hadronic *** uncertainty is systematic and the statistical uncertainty is ***,the numbers ofψ(3686)events collected during the 2009 and 2012run periods are updated to be(107.7±0.6)×10~6 and(345.4±2.6)×10~6,*** numbers are consistent with the previous measurements within one standard *** total number ofψ(3686)events in the three data samples is(2712.4±14.3)×10~6.

关键词： ψ(3686) inclusive process Hadronic events BESⅢdetector

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Microstructure Recrystallization and Mechanical Properties of a Cold-Rolled TiNbZrTaHf Refractory High-Entropy Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 633-647页

作者： Chuan Rong jieren Yang xiaoliang zhao Ke Huang Ying Liu xiaohong Wang Dongdong Zhu Ruirun Chen College of Materials Science and Engineering Sichuan UniversityChengdu610065China Key Laboratory of Air-Driven Equipment Technology of Zhejiang Province Quzhou UniversityQuzhou324000China School of Materials Science and Engineering Harbin Institute of TechnologyHarbin150001China

The equiatomic TiNbZrTaHf alloy was successfully rolled at room temperature with the reduction of ~ 85%. The microstructure and tensile properties were investigated after cold working and annealing. It was determined that the recrystallization temperature of the TiNbZrTaHf alloy between 850 and 900 ℃. Complete recrystallization and normal grain growth occurred, the high stability of single phase was maintained after annealing at 1000, 1200, and 1400 ℃. But the precipitated phase appeared after long term annealing, as seen after 500 h at 1000 ℃. After cold working, the tensile strength and the elongation of TiNbZrTaHf were 1137 MPa and 25.1%, respectively. The annealed alloy has a high tensile strength (σ_(b )= 863 MPa) and ductility (ε_(e )= 28.5%). Moreover, the oxidation of TiNbZrTaHf alloy at elevated temperatures has a significant impact on its mechanical properties. The poor oxidation resistance of TiNbZrTaHf can accelerate tensile failure by inducing fractures at grain boundaries.

关键词： Refractory high entropy alloy Cold rolling Recrystallization Oxidation resistance Mechanical properties

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Nonlinear optics of two-dimensional heterostructures

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Frontiers of physics 2024年第3期19卷 19-27页

作者： xiangkun Zeng Chenyu Wan Zhichen zhao Di Huang Zhanshan Wang xinbin Cheng Tao jiang MOE Key Laboratory of Advanced Micro-Structured Materials Shanghai Frontiers Science Center of Digital OpticsInstitute of Precision Optical Engineeringand School of Physics Science and EngineeringTongji UniversityShanghai 200092China Shanghai Institute of Intelligent Science and Technology Tongji UniversityShanghai 200092China

Two-dimensional (2D) materials exhibit exceptionally strong nonlinear optical responses, benefiting from their reduced dimensionality, relaxed phase-matching requirements, and enhanced light-matter interaction. With additional degrees of freedom in the modulation of the physical properties by stacking 2D layers together, nonlinear optics of 2D heterostructures becomes increasingly fascinating. In this perspective, we provide a brief overview of recent advances in the field of nonlinear optics of 2D heterostructures, with a particular focus on their remarkable capabilities in characterization and modulation. Given the recent advances and the emergence of novel heterostructures, combined with innovative tuning knobs and advanced nonlinear optical techniques, we anticipate deeper insights into the underlying mechanisms and more associated applications in this rapidly evolving field.

关键词： nonlinear optics 2D heterostructures

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Semitransparent Organic Solar Cells with Superior Thermal/Light Stability and Balanced Efficiency and Transmittance

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Energy & Environmental Materials 2024年第4期7卷 215-222页

作者： Zhipeng Yin Huan zhao Yang Liu xunwen xiao Yong Zhang Huahang Lai Ning Li Hai-Qiao Wang School of Materials Science and Engineering Ningbo Tech University State Key Laboratory of Luminescent Materials and Devices Institute of Polymer Optoelectronic Materials and Devices School of Materials Science and Engineering South China University of Technology Ningbo University of Technology Ningbo Institute of Technology Beihang University Hangna Nanofabrication Equipment Co. Ltd.

Semitransparent organic solar cells show attractive potential in the application of building-integrated photovoltaics,agrivoltaics,floating photovoltaics,and wearable electronics,as their multiple functionalities of e... 详细信息

关键词： organic solar cell semitransparent thermal/light stability

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