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Broadening environmental research in the era of accurate protein structure determination and predictions

Frontiers of Environmental Science & Engineering 2024年第7期18卷 169-178页

作者： Mingda Zhou Tong Wang Ke Xu Han Wang Zibin Li Wei-xian zhang Yayi Wang State Key Laboratory of Pollution Control and Resources Reuse Shanghai Institute of Pollution Control and Ecological SecurityCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Translational Research Institute of Brain and Brain-Like Intelligence Shanghai Fourth People's HospitalSchool of MedicineTongji UniversityShanghai 200434China

The deep-learning protein structure prediction method AlphaFold2 has garnered enormous attention beyond the realm of structural biology,for its groundbreaking contribution to solving the"protein foiding problem"In this perspective,we explore the connection between protein structure studies and environmental research,delving into the potential for addressing specific environmental *** are promising for environmental applications because of the functional diversity endowed by their structural ***,structural studies on proteins with environmental significance remain ***,we present the opportunity to study proteins by advancing experimental determination and deep-learning prediction ***,the latest progress in environmental research via cryogenic electron microscopy is *** allows us to determine the structure of protein complexes in their native state within cells at molecular resolution,revealing environmentally-associated structural *** the remarkable advancements in computational power and experimental resolution,the study of protein structure and dynamics has reached unprecedented depth and *** advancements will undoubtedly accelerate the establishment of comprehensive environmental protein structural and functional *** opportunities for protein engineering exist to enable innovative solutions for environmental applications,such as the degradation of persistent contaminants,and the recovery of valuable metals as well as rare earth elements.

关键词： Environmental proteins Protein structure Cryogenic electron microscopy Protein structure prediction Protein engineering Artificial Intelligence

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Design-build-test of recombinant Bacillus subtilis chassis cell by lifespan engineering for robust bioprocesses

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Synthetic and Systems Biotechnology 2024年第3期9卷 470-480页

作者： Kexin Ren Qiang Wang Jianghua Chen Hengwei zhang Zhoule Guo Meijuan Xu Zhiming Rao xian zhang Key Laboratory of Industrial Biotechnology of the Ministry of Education School of BiotechnologyJiangnan UniversityWuxiJiangsu214122China Yixing Institute of Food and Biotechnology Co. LtdYixing214200China

Microbial cell factories utilize renewable raw materials for industrial chemical production,providing a promising path for sustainable *** subtilis is widely used in industry for its food safety properties,but challenges remain in the limitations of microbial *** study proposes a novel strategy based on lifespan engineering to design robust *** chassis cells to supplement traditional metabolic modification strategies that can alleviate cell autolysis,tolerate toxic substrates,and get a higher mass transfer *** modified chassis cells could produce high levels of L-glutaminase,and tolerate hydroquinone to produceα-arbutin *** a 5 L bioreactor,the L-glutaminase enzyme activity of the final strain CRE15TG was increased to 2817.4±21.7 U m L^(-1),about 1.98-fold compared with that of the wild ***α-arbutin yield of strain CRE15A was increased to 134.7 g L^(-1),about 1.34-fold compared with that of the *** our knowledge,both of the products in this study performed the highest yields reported so *** chassis modification strategy described in this study can Improve the utilization efficiency of chassis cells,mitigate the possible adverse effects caused by excessive metabolic modification of engineered strains,and provide a new idea for the future design of microbial cell factories.

关键词： Bacillus subtilis Chassis cell Lifespan engineering Robustness Industrial production

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Cytoplasmic FKBPs are involved in molting and metamorphosis through regulating the nuclear localization of EcR

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Insect Science 2024年第3期31卷 759-772页

作者： xian zhang Qiao-Ran Wang Qian Wu Jun Gu Li-Hua Huang Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied Technology School of Life SciencesSouth China Normal UniversityGuangzhouChina Guangmeiyuan R&D Center Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied TechnologySouth China Normal UniversityMeizhouChina

Molting and metamorphosis are important physiological processes in insects that are tightly controlled by ecdysone receptor(EcR)through the 20-hydroxyecdysone(20E)signaling *** is a steroid nuclear receptor(SR).Several FK506-binding proteins(FKBPs)have been identified from the mammal SR complex,and are thought to be involved in the subcellular trafficking of ***,their roles in insects are poorly *** explore whether FKBPs are involved in insect molting or metamorphosis,we injected an FKBP inhibitor(FK506)into a lepidopteran insect,Spodoptera litura,and found that molting was inhibited in 61.11%of the larvae,and that the time for larvae to pupate was significantly extended.A total of 10 FKBP genes were identified from the genome of *** and were clustered into 2 distinct groups,according to their subcellular localization,with FKBP13 and FKBP14 belonging to the endoplasmic reticulum(ER)group and with the other members belonging to the cytoplasmic(Cy)*** the CyFKBPs were significantly upregulated in the prepupal or pupal stages,with the opposite being observed for the ER group ***506 completely blocked the transfer of EcR to the nucleus under 20E induction,and significantly downregulated the transcriptional expression of many 20E signaling genes.A similar phenomenon was observed after RNA interference of2 CyFKBPs(FKBP45 and FKBP12b),but not for *** together,our data indicate that the cytoplasmic FKBPs,especially FKBP45 and FKBP12b,mediate the nuclear localization of EcR,thereby regulating the 20E signaling and ultimately affecting molting and metamorphosis in insects.

关键词： EcR FKBP metamorphosis molting RNAi subcellular localization

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Predicting dynamic compressive strength of frozen-thawed rocks by characteristic impedance and data-driven methods

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第7期16卷 2591-2606页

作者： Shengtao Zhou Zong-xian zhang Xuedong Luo Yifan Huang Zhi Yu Xiaowei Yang Faculty of Engineering China University of GeosciencesWuhan430074China Oulu Mining School University of OuluOulu90570Finland Zijin School of Geology and Mining Fuzhou UniversityFuzhou350116China Department of Earth Science&Engineering Imperial College LondonLondonSW72AZUK

In cold regions,the dynamic compressive strength(DCS)of rock damaged by freeze-thaw weathering significantly influences the stability of rock ***,testing the dynamic strength under freeze-thaw weathering conditions is often both time-consuming and ***,this study considers the effect of characteristic impedance on DCS and aims to quickly determine the DCS of frozen-thawed rocks through the application of machine-learning ***,a database of DCS for frozen-thawed rocks,comprising 216 rock specimens,was *** external load parameters(freeze-thaw cycle number,confining pressure,and impact pressure)and two rock parameters(characteristic impedance and porosity)were selected as input variables,with DCS as the predicted *** research optimized the kernel scale,penalty factor,and insensitive loss coefficient of the support vector regression(SVR)model using five swarm intelligent optimization algorithms,leading to the development of five hybrid *** addition,a statistical DCS prediction equation using multiple linear regression techniques was *** performance of the prediction models was comprehensively evaluated using two error indexes and two trend indexes.A sensitivity analysis based on the cosine amplitude method has also been *** results demonstrate that the proposed hybrid SVR-based models consistently provided accurate DCS *** these models,the SVR model optimized with the chameleon swarm algorithm exhibited the best performance,with metrics indicating its effectiveness,including root mean square error(RMSE)﹦3.9675,mean absolute error(MAE)﹦2.9673,coefficient of determination(R^(2))﹦0.98631,and variance accounted for(VAF)﹦*** suggests that the chameleon swarm algorithm yielded the most optimal results for enhancing SVR ***,impact pressure and characteristic impedance emerged as the two most influential parameters in DCS *** research is

关键词： Freeze-thaw cycle Characteristic impedance Dynamic compressive strength Machine learning Support vector regression

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Syntheses and properties of associative acrylamide copolymers containing short hydrophobic chains used in a friction reducer for slick-water fracturing

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Petroleum Science 2024年第3期21卷 1889-1901页

作者： Ya-Xing Dai xian-Li zhang Si-Yuan Liu Feng-Run-Ze zhang Yi-Xi zhang Yu-Tong Sang Jing-Xi Zheng Zhao-Sheng Liu Peng zhang College of Chemistry and Chemical Engineering Chongqing University of Science and TechnologyChongqing401331China College of Ecology and Environment Chongqing Resources and Environmental Protection of UniversityChongqing401331China China China Property Project Department of Dezhou Mining Property Service CenterShengli Oilfield Company of SinopecDezhou253000ShandongChina

Two allyldimethylalkyl quaternary ammonium salt(AQAS)monomers,N,N-dimethylallylphenylpropylammonium bromide(AQAS1)and N,N-dimethylallylnonylammonium bromide(AQAS2),were synthesized and used to prepare modified polyacrylamide *** new drag reducers were synthesized from acrylamide(AM),sodium acrylate(Na AA)and a cationic modified monomer(AQAS1 or AQAS2)via aqueous solution polymerization,and the copolymers were named P(AM/Na AA/AQAS1)and P(AM/Na AA/AQAS2),*** structures of the drag reduction agents were confirmed by IR and1H NMR *** molecular weight(Mw)of P(AM/Na AA/AQAS1)was 1.79×10^(6)g/*** the copolymer concentration was 1000 mg/L and the flow rate was 45 L/min,in fresh water the highest drag reduction rate was 75.8%,in 10,000 mg/L Na Cl solution the drag reduction rate decreased to 72.9%.The molecular weight of P(AM/Na AA/AQAS2)was 3.17×10^(6)g/*** the copolymer concentration was500 mg/L and the flow rate was 45 L/min,the drag reduction rate reached 75.2%,and in 10,000 mg/L Na Cl solution the drag reduction rate was 73.3%,decreased by approximately 1.9%.The drag reduction rate for partially hydrolyzed polyacrylamide(HPAM)was also investigated,and the results showed that the drag reduction rates for 500 and 1000 mg/L HPAM solutions were merely 43.2%and 49.0%in brine,*** with HPAM,both of the above copolymers presented better drag reduction capacities.

关键词： Shale gas Slick water Drag reducer Modified monomer Copolymerization

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Reaction mechanism between Al_(2)O_(3)–MgO refractory materials and rare earth high-carbon heavy rail steel

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Journal of Iron and Steel Research International 2024年第5期31卷 1153-1163页

作者： Yi Wang Guang-jie Song Ping Shen Jian-zhong He Da-xian zhang Jian-xun Fu Center for Advanced Solidification Technology(CAST) School of Materials Science and EngineeringState Key Laboratory of Advanced Special SteelShanghai UniversityShanghai200444China State Key Laboratory of Baiyunebo Rare Earth Resources Research and Comprehensive Utilization Baotou014030Inner MongoliaChina Inner Mongolia Baotou Steel Union Co. Ltd.Baotou014030Inner MongoliaChina

Submerged entry nozzle(SEN)clogging is a major problem affecting the production quality of rare earth steel,and finding a suitable refractory outlet can significantly reduce production *** explore the relationship between refractory composition and interface interaction,unprotected coated Al_(2)O_(3)–MgO refractories and SiO2-coated Al_(2)O_(3)–MgO refractories were added to rare earth high-carbon heavy rail steel under laboratory conditions,and the Al_(2)O_(3)–MgO refractory was found to be more *** results show that,from the epoxy resin side to the refractory side,the contour of the refractory interface reaction layer can be divided into two main layers:an iron-rich reaction layer and an iron-poor reaction *** based on the spherical model suggest that the adhesion force is proportional to the size of the refractory particles and inclusions,and the same result applies to the surface *** the inclusions at a smaller size has a specific effect on alleviating the erosion of *** with the erosion mechanism of Al_(2)O_(3)–MgO refractories,the interface reaction mechanism between Al_(2)O_(3)–MgO refractories and molten steel was proposed,which provides ideas for solving SEN clogging.

关键词： Rare earth high-carbon heavy rail steel Al_(2)O_(3)-MgO refractory Adhesion Surface tension Interface interaction

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Sidewall rockburst of highly stressed D-shape hole tunnel triggered by impact load: An experimental investigation

Rock Mechanics Bulletin

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Rock Mechanics Bulletin 2024年第1期3卷 64-80页

作者： Wuxing Wu Fengqiang Gong Zong-xian zhang School of Civil Engineering Southeast UniversityNanjing211189China Oulu Mining School University of OuluOulu90570Finland

This study aims to clarity the failure mechanism of sidewall rockburst of highly stressed D-shape tunnel triggered by impact *** the biaxial Hopkinson pressure bar(BHPB)system,we have developed experimental capabilities to study the sidewall rockburst of D-shape tunnel by applying various prestresses,including horizontal and vertical static stresses,to sand prefabricated D-shape hole specimen,followed by impact ***-speed(HS)camera and digital image correlation(DIC)were used to tracked the process and strain field of the sidewall *** test results reveal that the process of sidewall rockburst can be summarized as:calm stage,crack initiation,propagation,and coalesce stage,spalling stage and rock fragments ejection *** the rockburst process,the surrounding rock experienced spalling and violent ejection,involving both tensile and tensile-shear *** mechanism of sidewall rockburst under the coupled of static stress and impact loads has been elucidated,i.e.,the static prestress determines the initial stress and strain distribution,and the horizontal prestress influences the affected range and strain values of strain concentration zone;the impact load disrupts the original static stress equilibrium,inducing alterations in the stress and strain of the surrounding rock and triggering sidewall rockburst.

关键词： impact rock load

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Heteroepitaxial growth of Au@Pd core–shell nanocrystals with intrinsic chiral surfaces for enantiomeric recognition

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Rare Metals 2024年第1期43卷 225-235页

作者： Feng-Xia Wu Feng-Hua Li Xia-Li Lv Qi-xian zhang Guo-Bao Xu Wen-Xin Niu State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Shaoxing Institute of Technology Shanghai UniversityShaoxing 312000China University of Science and Technology of China Hefei 230026China School of Materials Science and Engineering Shanghai UniversityShanghai 200436China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314113China University of Chinese Academy of Sciences Beijing 100039China

Noble metal surfaces with intrinsic chirality serve as an ideal candidate for investigating enantioselective chemistry due to their superior chemical durability and high catalytic ***,significant advance has been made in synthesizing metal nanocrystals with intrinsic ***,the majority reports are limited to ***,through a heteroepitaxial growth strategy,the synthesis of metal nanocrystals with intrinsic chirality to palladium was extended for the first time and their application in enantioselective recognition was *** heteroepitaxial growth strategy allows for transferring the chirality of homochiral Au nanocrystals to Au@Pd core–shell *** employing the chiral Au@Pd nanocrystals as enantiomeric recognizing elements,a series of electrochemical sensors for chiral discrimination were *** optimal conditions,the peak potential between D-dihydroxyphenylalanine(D-DOPA)and L-dihydroxyphenylalanine(L-DOPA)is about 80 m V,and the peak current of D-DOPA is 2 times as much as that of L-DOPA,which enables the determination of the enantiomeric excess(EE,%)of ***,this report not only introduces a heteroepitaxial growth strategy to synthesize metal nanocrystals with intrinsic chirality,but also demonstrates the superior capability of integrating intrinsic chirality and catalytic properties into metal nanocrystals for chiral recognition.

关键词： Core–shell nanostructures Chirality transfer Electrochemical sensors Chiral recognition Chiroplasmonics

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Metal-organic nanosheet assembly ions sieving membrane for precise lithium ion and anion/solvent separation toward robust lithium metal battery

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Science China Chemistry 2024年第10期67卷 3320-3327页

作者： Jian-Qiang Shen Tian-Tian Zhao Ying-Li Song Lingjuan zhang Ya-Nan Gao Xiao-Nan Cui Peng Zhao xian-Ming zhang Key Laboratory of Magnetic Molecules&Magnetic Information Materials Ministry of EducationSchool of Chemistry&Material ScienceShanxi Normal UniversityTaiyuan 030031China College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan 030024China

Metal-organic nanosheets(MONs)as a novel material with tunable pore structures and low mass transfer resistance,have emerged as molecular sieves for the separation of gases and *** theory,they can also serve as ion sieves for lithium metal batteries(LMBs),realizing the high-energy and dendritic free ***,there are rarely relevant reports,because it is difficult to simultaneously balance efficient ion sieving ability,high ion passing rate and high electrochemical ***,we synthesized a stable ultrathin MON[Zn_(2)(Bim)_(4)]([Zn_(2)(Bim)_(4)]Nanosheet,HBim=benzimidazolate),which can achieve both efficient lithium ion sieving ability,high lithium ion passing rate and high electrochemical stability at the same *** separator assembled by this MON exhibits high Li^(+)transfer number of 0.81 due to the accurate lithium ion and anion/solvent *** battery containing such separator shows high lithium ionic conductivity of 0.74 m S cm^(-1)and low activation energy of 0.099 eV,which can be attributed to the nanometer level thickness and the ion sieving *** is more,we realized the application of MONs-based ion sieves in LMBs with intercalation cathodes for the first *** the LiFePO_(4)|Li battery with as-assembled separator demonstrates improved Coulombic efficiency(>99%)and significantly extended cycling life(>1600 cycles)with 80%capacity retention.

关键词： lithium sieving membrane metal-organic nanosheets lithium metal battery lithium ion and anion separation lithium ion and solvent separation

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Method for rapid warning and activity concentration estimates in online waterγ-spectrometry systems

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Nuclear Science and Techniques 2024年第3期35卷 1-12页

作者： Meng Wang Yi Gu Mao-Lin Xiong Liang-Quan Ge Qing-xian zhang Guo-Qiang Zeng Heng Lu Sheng-Liang Guo College of Nuclear Technology and Automation Engineering Chengdu University of TechnologyChengdu 610059China Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province (Chengdu University of Technology)Chengdu 610059China Chengdu New Ray Technology Co.Ltd Chengdu 610052China

Onlineγ-spectrometry systems for inland waters,most of which extract samples in situ and in real time,are able to produce reliable activity concentration measurements for waterborne radionuclides only when they are distributed relatively uniformly and enter into a steady-state diffusion regime in the measurement *** protect residents’health and ensure the safety of the living environment,better timeliness is required for this measurement *** address this issue,this study established a mathematical model of the online waterγ-spectrometry system so that rapid warning and activity estimates can be obtained for water under non-steady-state(NSS)*** addition,the detection efficiency of the detector for radionuclides during the NSS diffusion process was determined by applying the computational fluid dynamics technique in conjunction with Monte Carlo *** this basis,a method was developed that allowed the online waterγ-spectrometry system to provide rapid warning and activity concentration estimates for radionuclides in *** analysis of the NSS-mode measurements of^(40)K radioactive solutions with different activity concentrations determined the optimum warning threshold and measurement time for producing accurate activity concentration estimates for *** experimental results show that the proposed NSS measurement method is able to give warning and yield accurate activity concentration estimates for radionuclides 55.42 and 69.42 min after the entry of a 10 Bq/L^(40)K radioactive solution into the measurement chamber,*** times are much shorter than the 90 min required by the conventional measurement ***,the NSS measurement method allows the measurement system to give rapid(within approximately 15 min)warning when the activity concentrations of some radionuclides reach their respective limits stipulated in the Guidelines for Drinking-water Quality of the WHO,suggesting that this method con

关键词： Water radioactivity monitoring Dynamic detection efficiency Rapid warning Activity estimation

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