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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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Correlation and Pathway Analysis of the Carbon,Nitrogen,and Phosphorus in Soil-Microorganism-Plant with Main Quality Components of Tea(Camellia sinensis)

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Phyton-International Journal of Experimental Botany 2024年第3期93卷 487-502页

作者： Chun Mao Ji He Xuefeng Wen Yangzhou xiang Jihong Feng Yingge shu College of Agriculture Guizhou UniversityGuiyangChina School of Geography and Resources Guizhou Education UniversityGuiyangChina

The contents of carbon(C),nitrogen(N),and phosphorus(P)in soil-microorganisms-plant signiﬁcantly affect tea quality by altering the main quality components of tea,such as tea polyphenols,amino acids,and ***,few studies have quantiﬁed the effects of these factors on the main quality components of *** study aimed to explore the interactions of C,N,and P in soil-microorganisms-plants and the effects of these factors on the main quality components of tea by using the path analysis *** results indicated that(1)The contents of C,N,and P in soil,microorganisms,and tea plants were highly correlated and collinear,and showed signiﬁcant correlations with the main quality components of tea.(2)Optimal regression equations were established to esti-mate tea polyphenol,amino acid,catechin,caffeine,and water extract content based on C,N,and P contents in soil,microorganisms,and tea plants(R^(2)=0.923,0.726,0.954,0.848,and 0.883,respectively).(3)Pathway analysis showed that microbial biomass phosphorus(MBP),root phosphorus,branch nitrogen,and microbial biomass carbon(MBC)were the largest direct impact factors on tea polyphenol,catechin,water extracts,amino acid,and caffeine content,*** carbon,root phosphorus,and leaf nitrogen were the largest indirect impact factors on tea polyphenol,catechin,and water extract content,*** carbon indirectly affected tea polyphenol content mainly by altering MBP *** phosphorus indirectly affected catechin content mainly by altering soil organic carbon *** nitrogen indirectly affected water extract content mainly by altering branch nitrogen *** research results provide the scientiﬁc basis for reasonable fertilization in tea gardens and tea quality improvement.

关键词： Soil-microorganisms-plant system carbon nitrogen phosphorus tea quality path analysis

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RNAirport:a deep neural network-based database characterizing representative gene models inplants

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Journal of Genetics and Genomics 2024年第6期51卷 652-664页

作者： Sitao Zhu shu Yuan Ruixia Niu Yulu Zhou zhao Wang Guoyong Xu State Key Laboratory of Hybrid Rice Institute for Advanced Studies(IAS)Wuhan UniversityWuhanHubei 430072China Hubei Hongshan Laboratory WuhanHubei 430070China

A 5'-leader,known initially as the 5'-untranslated region,contains multiple isoforms due to alternative splicing(aS)and alternative transcription start site(aTSS).Therefore,a representative 5'-leader is demanded to examine the embedded RNA regulatory elements in controlling translation ***,we develop a ranking algorithm and a deep-learning model to annotate representative 5'-leaders for five plant *** rank the intra-sample and inter-sample frequency of aS-mediated transcript isoforms using the Kruskal-Wallis test-based algorithm and identify the representative aS-5'-*** further assign a representative 5'-end,we train the deep-learning model 5'leaderP to learn aTsS-mediated 5'-end distribution patterns from cap-analysis gene expression *** model accurately predicts the 5'-end,confirmed experimentally in Arabidopsis and *** representative 5'-leader-contained gene models and 5'leaderP can be accessed at RNAirport(http:/***/leader5P/).The Stage 1 annotation of 5'-leader records 5'-leader diversity and will pave the way to Ribo-Seq open-reading frame annotation,identical to the project recently initiated by human GENCODE.

关键词： 5'-leader Transcript isoforms RNA regulatory elements UORF Deep learning Synthetic biology Translational control

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Analysis of destructive effect of Zn on carbon brick and way of Zn into carbon brick

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Journal of Iron and Steel Research International 2024年第6期31卷 1344-1354页

作者： Peng-bo Liu shu-sen Cheng Yu-qing Xue Xiao-man Cheng zhao Liu University of Science and Technology Beijing Beijing 100083China Ministry of Ironmaking Shangdong Taishan Steel Group Co.Ltd.Taian 271000ShandongChina

The service life of a blast furnace depends largely on the degree of damage to the carbon brick in the *** brick and ramming material in the hearth of a 1780 m3 blast furnace after shutdown were sampled and *** was found that the substances in the cracks of the carbon brick near and above the taphole were ZnO and Zn_(2)SiO_(4),whereas the substances in the cracks of the carbon brick below the taphole were *** reaction of Zn with CO,SiO_(2),and Fes generates ZnO,Zn_(2)SiO_(4),and ZnS,resulting in volume expansion,which is an important reason for the cracking of carbon ***,several obvious Zn vapor flow channels were found in the ramming material,through which Zn vapor could enter the carbon brick,causing damage to the carbon *** the compactness of the ramming material is beneficial to preventing Zn vapor from entering the carbon brick through the voids in the ramming material,reducing the destructive effect of Zn on the carbon brick and further extending the service life of the blast furnace.

关键词： Zn Blast furnace Carbon brick Ramming material Crack

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Investigation on cavitating turbulent flow for the twisted NACA66 hydrofoil using a PANS model with helicity modification

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Journal of Hydrodynamics 2024年第2期36卷 219-231页

作者： Chen Geng zhao-hui Qian Ke-xin Zheng Wei-xiang Ye Xian-wu Luo State Key Laboratory of Hydroscience cand Engineering Deparment of Energy and Power EngineeringTsinghua UniversityBeijing 100084China Institute of Nuclear and New Energy Technology Tsinghua UniversityBeijing 100084China

In the present paper,the unsteady cavitating turbulent flow over the twisted NACA66 hydrofoil is investigated based on an modified shear stress transfer k-ωpartially averaged Navier-Stokes(MSST PANS)model,i.e.,new MSST PANS(NMSST PANS)model,where the production term of kinetic energy in the turbulence model is modified with *** with the experimental data,cavitation evolution and its characteristic frequency are satisfactorily predicted by the proposed NMSST PANS *** is revealed that the interaction among the main flow,the reentrant jets,and sheet cavitation causes the formation of the primary shedding cavity near the mid-span and the secondary shedding cavity at each side of the twisted hydrofoil,and further induces the remarkable pressure gradient around shedding *** with the development of the primary and the secondary shedding cavities,the great pressure gradient associated with large cavity volume variation promotes the vortical flow generation and the spatial deformation of vortex structure during cavitation evolution,and results in the primary and the secondary U-type ***,dynamic mode decomposition(DMD)analysis is utilized to confirm the interaction among the main flow,the main reentrant jet and two side reentrant jets,and *** results indicate that the proposed NMSST PANS model is suitable to simulate the complicated cavitating turbulent flow for various engineering applications.

关键词： Cavitating turbulent flow partially averaged Navier-Stokes(PANS)model hydrofoil numerical simulation

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Effect of multiple coulomb scattering on the beam tests of silicon pixel detectors

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Nuclear Science and Techniques 2024年第4期35卷 200-207页

作者： Lan-Kun Li Ming-Yi Dong Ze Gao Liang-Cheng-Long Jin shu-Jun zhao School of Physics and Microelectronics Zhengzhou UniversityZhengzhou 450001China State Key Laboratory of Particle Detection and Electronics(Institute of High Energy Physics CAS)Beijing 100049China University of Chinese Academy of Science Beijing 100049China University of South China Hengyang 421001China

In the research and development of new silicon pixel detectors,a collimated monoenergetic charged-particle test beam equipped with a high-resolution pixel-beam telescope is crucial for prototype verification and performance *** the beam energy is low,the effect of multiple Coulomb scattering on the measured resolution of the Device Under Test(DUT)must be considered to accurately evaluate the performance of the pixel chips and *** study aimed to investigate the effect of multiple Coulomb scattering on the measured resolution,particularly at low beam *** were conducted using Allpix^(2) to study the effects of multiple Coulomb scattering under different beam energies,material budgets,and telescope *** simulations also provided the minimum energy at which the effect of multiple Coulomb scattering could be *** with the results of a five-layer detector system tested with an electron beam at DESY,the simulation results were consistent with the beam test results,confirming the reliability of the simulations.

关键词： Silicon Pixel Detectors Beam Telescope Multiple Coulomb Scattering Spatial Resolution

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Seismic safety assessment with non-Gaussian random processes for train-bridge coupled systems

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Earthquake Engineering and Engineering Vibration 2024年第1期23卷 241-260页

作者： zhao Han Gao Lei Wei Biao Tan Jincheng Guo Peidong Jiang Lizhong xiang Ping Key Laboratory of Geomechanics and Embankment Engineering of Ministry of Education Hohai UniversityNanjing 210024China School of Civil Engineering Central South UniversityChangsha 410075China

Extensive high-speed railway(HSR)network resembled the intricate vascular system of the human body,crisscrossing *** events,known for their unpredictability,pose a significant threat to both trains and bridges,given the HSR’s extended operational ***,ensuring the running safety of train-bridge coupled(TBC)system,primarily composed of simply supported beam bridges,is *** methods like the Monte Carlo method fall short in analyzing this intricate system ***,efficient algorithm like the new point estimate method combined with moment expansion approximation(NPEM-MEA)is applied to study random responses of numerical simulation TBC *** of the NPEM-MEA’s feasibility is conducted using the Monte Carlo *** analysis confirms the accuracy and efficiency of the method,with a recommended truncation order of four to six for the ***,the influences of seismic magnitude and epicentral distance are discussed based on the random dynamic responses in the TBC *** methodology not only facilitates seismic safety assessments for TBC systems but also contributes to standard-setting for these systems under earthquake conditions.

关键词： train-bridge coupled(TBC)system random vibration new point estimate method(NPEM) seismic safety assessment moment expansion approximation(MEA) non-Gaussian distributions

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Biomineralization and mineralization using microfluidics:A comparison study

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第2期16卷 661-669页

作者： Yang Xiao xiang He Guoliang Ma Chang zhao Jian Chu Hanlong Liu Key Laboratory of New Technology for Construction of Cities in Mountain Area Chongqing UniversityChongqing400045China State Key Laboratory of Coal Mine Disaster Dynamics and Control Chongqing UniversityChongqing400045China School of Civil Engineering Chongqing UniversityChongqing400045China School of Civil and Environmental Engineering Nanyang Technological UniversitySingapore

Biomineralization through microbial process has attracted great attention in the field of geotechnical engineering due to its ability to bind granular materials,clog pores,and seal *** minerals formed by biomineralization are generally the same as that by mineralization,their mechanical behaviors show a significant *** study aims to figure out the differences between biomineralization and mineralization processes by visualizing and tracking the formation of minerals using *** biomineralization and mineralization processes occurred in the Y-shaped sandcontaining microchip that mimics the underground sand *** from different areas in the reaction microchannel of microchips were captured to directly compare the distribution of *** size and numbers from different reaction times were measured to quantify the differences between biomineralization and mineralization processes in terms of crystal *** showed that the crystals were precipitated in a faster and more uncontrollable manner in the mineralization process than that in the biomineralization process,given that those two processes presented similar precipitation *** addition,a more heterogeneous distribution of crystals was observed during the biomineralization *** precipitation behaviors were further explained by the classical nucleation crystal growth *** present microfluidic tests could advance the understanding of biomineralization and provide new insight into the optimization of biocementation technology.

关键词： Microbially induced carbonate precipitation (MICP) Biocementation Crystal Calcium carbonate Nucleation

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Lath-like phases formed at an extremely high temperature in a Mg-RE(RE=rare earth)-Al alloy

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Rare Metals 2024年第8期43卷 3937-3945页

作者： Bo Deng shu-Hui Lv Qiang Yang Dong-Yue zhao Jun-Yuan Fan Xin Qiu School of Materials Science and Engineering Changchun University of Science and TechnologyChangchun 130022China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Chongqing Research Institute Changchun University of Science and TechnologyChongqing 401135China

Thermal stable intermetallic particles are important for the heat resistance of magnesium(Mg)*** this work,many lath-like particles formed in α-Mg grains of a Mg-8Gd-3Sm-0.7Al casting alloy when heat-treated at 873 ***-resolution high-angle annular dark field scanning transmission electron microscopy(HAADF-STEM) characterizations indicate that most of them are Mg-containing Al_(2)(Gd,Sm),with the atomic ratio of Mg:Al:(Gd,Sm) being ~1:1:1;a small part of them with relatively wider thickness are long-period stacking ordered(LPSO) phases simultaneously containing both 14H and 18R *** followed common orientation relationships with Mg matrix as those reported in previous *** addition,many Mg laths were observed in the primary blocky Al_(2)(Gd,Sm) phase at grain boundaries,where the atomic ratio of Al:(Gd,Sm) in the Al_(2)(Gd,Sm) matrix was 2:***,density functional theory(DFT) calculations illustrated the detail structure of the re-constructed Mg/Al_(2)RE interface and simultaneously deduced the underlying reason for the re-dissolution of the newly formed Mg-containing Al_(2)(Gd,Sm) plates in α-Mg matrix.

关键词： Magnesium alloy HAADF-STEM Microstructures Intermetallic particles Orientation relationships Interfaces

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Experimental investigation for temperature and emissivity by flame emission spectrum in a cavity of rocket based combined cycle combustor chamber

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Defence Technology（防务技术） 2024年第9期39卷 114-122页

作者： Weiguang Cai shu Zheng Yan Wang Bing Liu Shaohua Zhu Li zhao Qiang Lu National Engineering Research Center of New Energy Power Generation North China Electric Power UniversityBeijing 102206China Science and Technology on Combustion Internal Flow and Thermal-structure LaboratoryNorthwestern Polytechnical UniversityXi'an 710072China

Flame temperature and spectral emissivity were the important parameters characterizing the sufficient degree of fuel combustion and the particle radiative characteristics in the Rocket Based Combined Cycle(RBCC)*** investigate the combustion characteristics of the complex supersonic flame in the RBCC combustor,a new radiation thermometry combined with Levenberg-Marquardt(LM)algorithm and the least squares method was proposed to measure the temperature,emissivity and spectral radiative properties based on the flame emission ***-situ measurements of the flame temperature,emissivity and spectral radiative properties were carried out in the RBCC direct-connected test bench with laser-induced plasma combustion enhancement(LIPCE)and without *** flame average temperatures at fuel global equivalence ratio(a)of 1.0b and 0.6 with LIPCE were 4.51%and 2.08%higher than those without *** flame combustion oscillation of kerosene tended to be stable in the recirculation zone of cavity with the thermal and chemical effects of laser induced *** differences of flame temperature at a=1.0b and 0.6 were 503 K and 523 K with LIPCE,which were 20.07%and42.64%lower than those without *** flame emissivity with methane assisted ignition was 80.46%lower than that without methane assisted ignition,due to the carbon-hydrogen ratio of kerosene was higher than that of *** spectral emissivities at 600 nm with LIPCE were 1.25%,22.2%,and 4.22%lower than those without LIPCE at a=1.0a(with methane assisted ignition),1.0b(without methane assisted ignition)and *** effect of concentration in the emissivity was removed by normalization to analyze the flame radiative properties in the RBCC combustor *** maximum differences of flame normalized emissivity were 50.91%without LIPCE and 27.53%with *** flame radiative properties were stabilized under the thermal and chemical effects of laser induced plasma at a=0.6.

关键词： Rocket-based combined-cycle Supersonic combustion Flame temperature measurement Emissivity Laser induced plasma combustion enhancement

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