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Rational surface charge engineering of haloalkane dehalogenase for boosting the enzymatic performance in organic solvent solutions

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Chinese Journal of Chemical Engineering 2024年第1期65卷 276-285页

作者： Yin Wu yan sun Department of Biochemical Engineering School of Chemical Engineering and Technology and Key Laboratory of Systems Bioengineering and Frontiers Science Center for Synthetic Biology(Ministry of Education)Tianjin UniversityTianjin 300350China

Biocatalysis in organic solvents(OSs)has numerous important applications,but native enzymes in OSs often exhibit limited catalytic ***,we proposed a computation-aided surface charge engineering strategy to improve the catalytic performance of haloalkane dehalogenase DhaA in OSs based on the energetic analysis of substrate binding to the DhaA *** variants with enhanced OS resistance were obtained by replacing negative charged residues on the surface with positive charged residue(Arg).Particularly,a four-substitution variant E16R/E93R/E121R/E257R exhibited the best catalytic performance(five-fold improvement in OS resistance and seven-fold half-life increase in 40%(vol)dimethylsulfoxide).As a result,the overall catalytic performance of the variant could be at least 26 times higher than the wild-type *** spectroscopy and molecular dynamics simulation studies revealed that the residue substitution mainly enhanced OS resistance from four aspects:(a)improved the overall structural stability,(b)increased the hydrophobicity of the local microenvironment around the catalytic triad,(c)enriched the hydrophobic substrate around the enzyme molecule,and(d)lowered the contact frequency between OS molecules and the catalytic *** findings validate that computationaided surface charge engineering is an effective and ingenious rational strategy for tailoring enzyme performance in OSs.

关键词： Surface charge engineering Organic solvent resistance Molecular dynamics simulation Haloalkane dehalogenase

Synthesis,Crystal Structure and Magnetic Behavior of a Novel Cd(Ⅱ) Complex with Four Nitroxide Radicals

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Chemical Research in Chinese Universities 2010年第2期26卷 170-173页

作者： GAO Dong-zhao ZHANG Guo-ying XU yan-yan sun Ya-qiu Tianjin Key Laboratory of Structure and Performance for Functional Molecule College of Chemistry and Life ScienceTianjin Normal UniversityTianjin 300387P.R.China

A novel diamagnetic-metal Cd（Ⅱ） complex with four nitroxide radicals[Cd（IM4Py）4Cl2]（IM4Py=2-（4＇-pyridinyl）-4,4,5,5-tetramethylimidazoline-1-oxyl） was synthesized and characterized by elemental analyses,IR spectra,UV-Vis spectra and X-ray single crystal *** complex crystallized in triclinic space group P1 with a=0.93285（14） nm,b=1.16827（18） nm,c=1.3660（2） nm,α=112.759（2）°,β=104.524（2）°,γ=92.008（3）°,V= 1.3143（3） nm3,Z=1,Dc=1.335 g/cm3,the final R1=0.0423 and wR2=*** the title complex,each Cd（Ⅱ） ion adopting a distorted octahedral geometry is coordinated by two Cl-anions and four pyridyl-N atoms from four IM4Py *** magnetic measurements show the weak antiferromagnetic interactions between the nitroxide radicals.

关键词： Cd(Ⅱ) complex Nitroxide radical Crystal structure Magnetic behavior

Particles attrition of binary mixtures in the coal-fueled chemical looping system based on fluidized bed

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Particuology 2024年第3期86卷 281-290页

作者： Heyu Li Zhe sun yan Cao Guangzhou Institute of Energy Conversion Chinese Academy of SciencesGuangzhou 510640China University of Chinese Academy of Sciences Bejing 100049China CAS Key Laboratory of Renewable Energy Guangzhou 510640China Guangdong Provincial Key Laboratory of New and Renewable Energy Research and Development Guangzhou 510640China College of Chemistry and Chemical Engineering Anhui UniversityHefei230601China

In this work,a reactive air jet attrition device with auto-recording and collection of elutriated fines was *** established insights into the physiochemical interaction and further correlated attrition behaviors between char and oxygen carriers under various operation *** attrition rate increased by over 110% upon the introduced CO_(2),which brought in the significant effect of thermo-chemical stress,similarly in effects of the increased char addition ratio and the decreased sizes of char or hematite in different *** the char-hematite co-attrition process,the elutriated carbon loss of char with poor mechanical strength was found to be over 10%,while the reactive iron loss of hematite was found to be 6.3%,and was enriched in elutriated *** reaction-derived thermochemical stress and the collision-derived mechanical stress jointly controls the particle attrition during the cyclic transformation of oxygen carrier particles in coal-fueled chemical looping fluidization,especially sig-nificant in its reduction stage.

关键词： Attrition Binary species Chemical looping Oxygen carrier CO_(2)capture

Comprehensive Exergoeconomic Analysis and Optimization of a Novel Zero-Carbon-Emission Multi-Generation System based on Carbon Dioxide Cycle

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Journal of Thermal Science 2024年第3期33卷 1065-1081页

作者： sun yan LI Hongwei WANG Di DU Changhe School of Energy and Power Engineering Northeast Electric Power UniversityJilin132012China School of Automation Engineering Northeast Electric Power UniversityJilin132012China Xi’an Institute of Electromechanical Information Technology Xi’an710065China

This paper aims to conduct a comprehensive exergoeconomic analysis of a novel zero-carbon-emission multi-generation system and propose a fast optimization method combined with machine *** detailed exergoeconomic analysis of a novel combined power,freshwater and cooling multi-generation system is performed in this *** exergoeconomic analysis model is established by exergy flow theory.A comprehensive exergy,exergoeconomic and environmental analysis is carried *** critical decision variables are researched to bring out effects on the multi-generation system exergoeconomic performance.A novel fast optimization method combining genetic algorithm and Bagging neural network is *** advanced nature comparison is made between the proposed system and four similar *** display that increasing the turbine inlet temperature can improve exergy efficiency and decrease the total product unit *** multi-generation system exergy destruction directly determines exergy efficiency and total exergy destruction cost *** total product unit cost in the cost optimal design case is reduced by 7.7%and 25%,respectively,compared with exergy efficiency optimal design case and basic design *** with four similar cases,the proposed multi-generation system has great advantages in thermodynamic performance and exergoeconomic *** paper can provide research methods and ideas for performance analysis and fast optimization of multi-generation system.

关键词： waste heat recovery exergoeconomic analysis supercritical carbon dioxide optimization machine learning

Ytterbium modified birnessite MnO_(2) for improving deep oxidation of toluene

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Journal of Rare Earths 2024年第4期42卷 668-675页

作者： Linjiang sun yan Cheng Yujie Liu Can Yi Faculty of Geosciences and Environmental Engineering Southwest Jiaotong UniversityChengdu611756China

A series of rare earth metals modified birnessite manganese dioxides(RE-Mn)was synthesized by hydrothermal method and their catalytic degradation of toluene was ***-Mn shows the best toluene oxidation activity with the conversion of T50%and T99%at 196 and 226℃,*** physiochemical characterizations identified that the high catalytic performance and excellent stability of Yb-Mn are mainly associated with its higher molar ratios of Mn^(4+)/Mn^(3+),more lattice oxygen(Olatt),and better mobility of surface adsorbed oxygen(O_(ads)).Moreover,it is confirmed that introduction of Yb into birnessite MnO_(2) facilitates the production of acetic acid at lower *** results can aid the design of high-efficiency manganese oxide catalysts for the catalytic combustion of VOCs.

关键词： Manganese oxide Rare earth metal doping Toluene Catalytic combustion

Bioinspired designs in active metal-based batteries

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Nano Research 2024年第2期17卷 587-601页

作者： Fan Zhang Ting Liao Cheng yan Ziqi sun School of Chemistry and Physics Queensland University of TechnologyGeorge StreetBrisbaneQLD 4000Australia School of Mechanical Medical and Process Engineering Queensland University of TechnologyGeorge StreetBrisbaneQLD 4000Australia QUT Centre for Materials Science Queensland University of TechnologyGeorge StreetBrisbaneQLD 4000Australia

Active metal-based batteries are drawing increased attention because of their inherent high energy density and specific *** grand challenges,such as dendrite growth,electrode degradation,rapid performance fading,etc.,have limited their practical ***,which involves taking cues from the structures and functions of the natural world,can lead to a wealth of conceptually fresh approaches to regulator the metal ion transportation to achieve a dendrite-free metal plating,thwart the side-reaction reactions,and retard the structural distortions,for a more reliable and secure operation of active metal-based *** this review,we concentrate on the fabrication and application of bioinspired designs in active metal-based batteries with enhanced performance,along with discussion on the challenges and opportunities associated with this promising *** anticipate that this review can offer some insights into the development of functional materials by learning from nature and provide some approaches for the innovations of either the battery structures or the energy materials for metal-based batteries.

关键词： bioinspired materials energy storage devices metal-based batteries

Resilient performance of self-centering hybrid rocking walls with curved interface under pseudo-static loading

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Earthquake Engineering and Engineering Vibration 2024年第1期23卷 65-85页

作者： Su Xing yan Shi sun Xianglei Wang Tao School of Civil Engineering Shenyang Jianzhu UniversityShenyang 110168China PetroChina East China Design Institute Co. Ltd.Qingdao 266000China Qingdao Country Garden Bolin Real Estate Co. Ltd.Qingdao 266100China

Frame and rocking wall(FRW)structures have excellent resilient performance during ***,the concrete at interfacial corners of rocking walls(RWs)is easily crushed due to local extreme compression during the rocking *** innovative RW with a curved interface is proposed to prevent interfacial corners from producing local damage,enhancing its earthquake resilient performance(ERP).The precast wall panel with a curved interface is assembled into an integral self-centering hybrid rocking wall(SCRW)by two post-tensioned unbonded prestressed ***,two ordinary energy dissipation steel rebars and two shear reinforcements are arranged to increase the energy dissipation capacity and lateral *** SCRW specimens and one monolithic reinforced concrete(RC)shear wall(SW)were tested under pseudo-static loading to compare the ERPs of the proposed SCRW and the SW,focusing on studying the effect of the curved interface on the *** key resilient performance of rocking effects,failure modes,and hysteretic properties of the SCRW were *** results show that nonlinear deformations of the SCRW are concentrated along the interface between the SCRW and the foundation,avoiding damage within the *** restoring force provided by the prestressed tendons can effectively realize self-centering capacity with small residual deformation,and the resilient performance of the SCRW is better than that of monolithic *** addition,the curved interface of the SCRW makes the rocking center change and move inward,partially relieving the stress concentration and crush of *** rocking range of the rocking center is about 41.4%of the width of the SCRW.

关键词： self-centering hybrid rocking wall(SCRW) monolithic shear wall(SW) earthquake resilient performance(ERP) curved interface rocking center

Metal-organic framework-derived CoSe_(2)@N-doped carbon nanocubes for high-performance lithium-ion capacitors

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Rare Metals 2024年第5期43卷 2150-2160页

作者： Lei Wang Xiong Zhang yan-yan Kong Chen Li Ya-Bin An Xian-Zhong sun Kai Wang yan-Wei Ma Institute of Electrical Engineering Chinese Academy of SciencesBeijing 100190China School of Engineering Sciences University of Chinese Academy of SciencesBeijing 100190China Institute of Electrical Engineering and Advanced Electromagnetic Drive Technology Qilu ZhongkeJinan 250013China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China

Cobalt selenide(CoSe_(2))has garnered considerable attention as a prospective anode candidate for advanced lithium-ion storage,prompting comprehensive ***,CoSe_(2)-based anodes usually suffer from significant volume variation upon lithiation leading to unsatisfactory cycling ***,a versatile synthesis route is proposed for the in-situ fabrication of CoSe2nanoparticles embedded in N-dope carbon skeleton(CoSe_(2)@NC)through annealing treatment and selenization of a metal–organic framework-derived(MOF)*** N-doped carbon derived from the MOF serves not only as an excellent conductive substrate but also as a confined reactor,effectively inhibiting the structural instability and alleviating the inevitable volume change of CoSe_(2).Owing to their unique nanostructure,the as-prepared CoSe_(2)@NC exhibits a high capacity of 745.9mAh·g^(-1)at 0.1 A·g^(-1),while maintaining excellent rate capability and an impressive ***,the assembled lithium-ion capacitor(LIC)based on CoSe_(2)@NC demonstrates an energy density of 130Wh·kg^(-1),a power density of 24.6 kW·kg^(-1),and remarkable capacity retention of 90.8%after 8000 *** results highlight the great potential of CoSe_(2)@NC for practical applications.

关键词： Lithium capacitors Cobalt selenide Metal-organic frameworks N-doped carbon

Histological,transcriptomic,and gene functional analyses reveal the regulatory events underlying gibberellin-induced parthenocarpy in tomato

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Horticultural Plant Journal 2024年第1期10卷 156-170页

作者： Shaobo Niu Yu He Siwei yan Zhengliang sun Run Cai yan Zhang Shaanxi Engineering Research Center for Vegetables College of HorticultureNorthwest A&F UniversityYanglingShaanxi 712100China

Gibberellin(GA)is one of the major plant hormones that promote parthenocarpy,a highly valuable agronomic ***,we demonstrated that exogenous GA3application triggered the formation of parthenocarpic fruits with smaller size but unchanged shape in tomato(Solanum lycopersicum).These fruits exhibited a thicker pericarp,undeveloped ovules,and few jelly tissues,leading to smaller locules with empty *** investigation showed that GA treatment produced more cell layers with larger cells in the pericarp,suggesting its promotion in both cell division and *** analyses between GA-3and mock-treated unpollinated ovaries/fruits identified a large number of differentially expressed genes related to hormones,cell division,cell expansion,and transcription factors,implying that they coordinately regulated parthenocarpy conferred by *** particular,the downregulation of five reported repressors of tomato parthenocarpy,including two auxin signaling components,AUXIN RESPONSE FACTOR5(SlARF5)and Sl ARF7,and three MADS-box genes,TOMATO APETALA3(TAP3),TOMATO PISTILLATA(TPI),and AGAMOUS-LIKE6(SlAGL6),after GA treatment might play a key role in this ***,we found that the knockdown of a GA signaling factor SlMYB33,which was depressed by GA treatment,induced parthenocarpic fruit set in tomato,an effect that might have been achieved by enhancing GA biosynthesis and decreasing the expression of some repressors of tomato ***,our results provide a basis for understanding the regulatory mechanism of GA in tomato parthenocarpy.

关键词： Tomato Gibberellin Parthenocarpy Histology Transcriptome SlMYB33