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DFT-assisted rational design of CoM_(x)P/CC(M=Fe,Mn,and Ni) as efficient electrocatalyst for wide pH range hydrogen evolution and oxygen evolution

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Nano Research 2022年第10期15卷 8897-8907页

作者： Xiangrui Zhang Chunyan Sun Shusheng Xu Mengru Huang Yi Wen Xue-rong Shi School of Materials Engineering Shanghai University of Engineering ScienceShanghai 201620China

Rational design of highly active transition-metal phosphides for electrocatalyzing overall water splitting in a wide pH range assisted by first-principle calculations can efficiently save the developing cost and hence is quite attractive.Under the guidance of density-functional theory(DFT)calculations that the introduction of dopants(Fe,Mn,and Ni)into CoP could promote the hydrogen evolution reaction(HER)performances,a series of binder-free CoM_(x)P/carbon cloth(CC;M=Fe,Mn,and Ni;x=0,0.05,0.2,0.5,and 1)were fabricated.Both experimental measurements and DFT calculations confirm the electronic modulation of dopants.DFT calculations further reveal that the modulated electronic structure promotes the electronic conductivity,favors the adsorption of key species,and consequently promotes the electrochemical performances.As predicted,the bimetallic phosphides demonstrate excellent HER performances in alkaline,acidic,and alkaline simulated seawater solutions and also deliver excellent oxygen evolution reaction(OER)performances,overwhelming the commercial RuO_(2).Benefiting from the modulated electronic structure and the hierarchical structure with massive CoFe0.05P zero-dimensional(0D)quantum dots anchored on two-dimensional(2D)N-doped porous carbon,CoFe0.05P delivered the best HER in four kinds of electrolytes(ƞ10 of 73 mV in an alkaline simulated seawater solution)and OER in two kinds of electrolytes(ƞ10 of 264 mV in an alkaline solution)with excellent stability of 45 h in the alkaline solution.The assembled CoFe0.05P/CC//CoFe0.05P/CC with the electrodes folded by 180°can still maintain a low cell potential of 1.62 V at 10 mA·cm^(−2).This work proves the feasibility of the reported rational design strategy of developing efficient electrocatalysts for overall water splitting in a wide pH range.

关键词： bimetallic phosphide pH-universal hydrogen evolution reaction(HER) oxygen evolution reaction(OER) zero-dimensional(0D)/two-dimensional(2D) first-principle calculations

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The rice PLATZ protein SHORT GRAIN6 determines grain size by regulating spikelet hull cell division

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Journal of Integrative Plant Biology 2020年第6期62卷 847-864页

作者： shi-rong Zhou Hong-Wei xue National Key Laboratory of Plant Molecular Genetics CAS Center for Excellence in Molecular Plant SciencesShanghai Institute of Plant Physiology and Ecologythe Chinese Academy of SciencesShanghai 200032China State Key Laboratory of Crop Genetics and Germplasm Enhancement Jiangsu Plant Gene Engineering Research CenterNanjing Agricultural UniversityNanjing 210095China School of Agriculture and Biology Shanghai Jiao Tong UniversityShanghai 200240China

Grain size is a major determinant of cereal grain yields;however,the relevant regulatory mechanisms controlling this trait have not been fully elucidated.The rice(Oryza sativa)mutant short grain6(sg6)was identified based on its reduced grain length and weight.Here,we functionally characterized the role of SG6 in determining grain size through the regulation of spikelet hull cell division.SG6 encodes a previously uncharacterized plant ATrich sequence and zinc-binding(PLATZ)protein that is ubiquitously localized throughout the cell and is preferentially expressed in the early developing panicles but not in the endosperm.The overexpression of SG6 resulted in significantly larger and heavier grains,as well as increased plant heights,which is consistent with its elevated spikelet hull cell division rate.Yeast two-hybrid analyses revealed that SG6 interacts with the core cell cycle machinery DP protein and several other putative cell division regulators,consistent with our transcriptomic analysis,which showed that SG6 activates the expression of many DNA replication and cell-cycle-related genes.These results confirm the crucial role of SG6 in determining grain size by regulating spikelet hull cell division and provide clues for understanding the functions of PLATZ family proteins and the network regulating cereal grain size.

关键词： sativa) fir cereal

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Trimetallic synergistic optimization of 0D NiCoFe-P QDs anchoring on 2D porous carbon for efficient electrocatalysis and high-energy supercapacitor

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Journal of Energy Chemistry 2022年第11期31卷 149-158,I0006页

作者： Ruiqi Liu Xue-rong Shi Yi Wen Xiaoxuan Shao Chen Su Jing Hu Shusheng Xu School of Materials Engineering Shanghai University of Engineering ScienceShanghai 201620China School of Advanced Materials and Nanotechnology Xidian UniversityXi’an 710071ShaanxiChina School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215009JiangsuChina

Developing multi-functional and low-cost noble-metal-free catalysts such as transition metal phosphides(TMPs)to replace noble-metal is of practical significance for energy conversion and storage.However,the low-durability and the agglomeration phenomenon during the electrochemical process limit their practical applications.Herein,using metal–organic frameworks(MOFs)as the precursor and a combined strategy of gradient temperature calcination and thermal phosphorization,a 0D/2D heterostructure of NiCoFe-P quantum dots(QDs)anchored on porous carbon was successfully developed as highly efficient electrode materials for overall water splitting and supercapacitors.Owing to this distinctive 0D/2D heterostructure and the synergistic effect of multi-metallic TMPs,the NiCoFe-P/C exhibits excellent electrocatalytic activity and durability of HER(87 mV at 10 mA cm^(-2))and OER(257 mV at 100 mA cm^(-2))in the KOH electrolyte.When NiCoFe-P/C is used as the two electrodes of electrolyzed water,only 1.55 V can drive the current density to 10 m A cm^(-2).At the same time,our NiCoFe-P/C possessed extraordinary property for charge storage.In particular,an ultra-high energy density of 100.8 Wh kg^(-1) was achieved at a power density of 900.0 W kg^(-1) for our assembled hybrid supercapacitor device NiCoFe-P/C(2:1)//activated carbon(AC).This work may open a potential way for the design of 0D/2D hybrid multifunctional nanomaterials based on TMPs QDs.

关键词： Metal-organic frameworks Transition metal phosphide quantum dots 0D/2D heterostructure Overall water splitting Supercapacitor First-principle calculations

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Deficiency of mitochondrial outer membrane protein 64 confers rice resistance to both piercing-sucking and chewing insects in rice

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Journal of Integrative Plant Biology 2020年第12期62卷 1967-1982页

作者： Hui‐Min Guo Hai‐Chao Li shi‐rong Zhou Hong‐Wei xue xue‐Xia Miao Key Laboratory of Insect Developmental and Evolutionary Biology CAS Center for Excellence in Molecular Plant SciencesShanghai Institute of Plant Physiology and EcologyInnovation Academy for Seed DesignChinese Academy of SciencesShanghai 200032China National Key Laboratory of Plant Molecular Genetics CAS Center for Excellence in Molecular Plant SciencesShanghai Institute of Plant Physiology and EcologyChinese Academy of SciencesShanghai 200032China

The brown planthopper(BPH)and striped stem borer(SSB)are the most devastating insect pests in rice(Oryza sativa)producing areas.Screening for endogenous resistant genes is the most practical strategy for rice insect-resistance breeding.Forty-five mutants showing high re-sistance against BPH were identified in a rice T-DNA in-sertion population(11,000 putative homozygous lines)after 4 years of large-scale field BPH-resistance phenotype screening.Detailed analysis showed that deficiency of rice mitochondrial outer membrane protein 64(OM64)gene resulted in increased resistance to BPH.Mitochondrial outer membrane protein 64 protein is located in the outer mitochondrial membrane by subcellular localization and its deficiency constitutively activated hydrogen peroxide(H2O2)signaling,which stimulated antibiosis and tolerance to BPH.The om64 mutant also showed enhanced resist-ance to SSB,a chewing insect,which was due to promotion of Jasmonic acid biosynthesis and related responses.Im-portantly,om64 plants presented no significant changes in rice yield-related characters.This study confirmed OM64 as a negative regulator of rice herbivore resistance through regulating H2O2 production.Mitochondrial outer membrane protein 64 is a potentially efficient candidate to improve BPH and SSB resistance through gene deletion.Why the om64 mutant was resistant to both piercing-sucking and chewing insects via a gene deficiency in mitochondria is discussed.

关键词： sativa) fir resistance

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Rejuvenation Heat Treatment of the Second-Generation Single-Crystal Superalloy DD6

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Acta Metallurgica Sinica(English Letters) 2015年第10期28卷 1278-1285页

作者： Zhen-xue shi shi-Zhong Liu Jia-rong Li Science and Technology on Advanced High Temperature Structural Materials Laboratory Beijing Institute of Aeronautical Materials

The second-generation single-crystal superalloy DD6 with [001] orientation was prepared by screw selecting method in the directionally solidified furnace. The long-term aging of the alloy after full heat treatment was performed at1100 °C for 400 h. Then the rejuvenation heat treatment 1300 °C/4 h/AC ？ 1120 °C/4 h/AC ？ 870 °C/24 h/AC was carried out. The stress rupture properties were investigated at 760 °C/800 MPa, 850 °C/550 MPa, 980 °C/250 MPa and1100 °C/140 MPa after different heat treatments. The microstructures of the alloy at different conditions were studied by SEM. The results show that c0 phase of the alloy became very irregular and larger after long-term aging at 1100 °C for 400 h. A very small amount of needle-shaped TCP phase precipitated in the dendrite core. The coarsened c0 phase and TCP phase dissolved entirely after rejuvenation heat treatment. The microstructure was restored and almost same with the original microstructure. The stress rupture life of the alloy decreased in different degrees at various test conditions after long-term aging. The stress rupture life of the alloy after rejuvenation heat treatment all restores to the original specimen more than 80%at different conditions. The microstructure degradation of the alloy during long-term aging includes coarsening of the c0 phase,P-type raft and precipitation of TCP phase, which results in the degeneration of stress rupture property. The rejuvenation heat treatment succeeds in restoring the original microstructure and stress rupture properties of the alloy.

关键词： Single-crystal superalioy DD6 Rejuvenation heat treatment Stress rupture properties

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CRISPR Primer Designer:Design primers for knockout and chromosome imaging CRISPR-Cas system

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Journal of Integrative Plant Biology 2015年第7期57卷 613-617页

作者： Meng Yan shi-rong Zhou Hong-Wei xue National Key Laboratory of Plant Molecular Genetics Shanghai Institute of Plant Physiology and Ecologythe Chinese Academy of Sciences

The clustered regularly interspaced short palin- dromic repeats （CRiSPR）-associated system enables biologists to edit genomes precisely and provides a powerful tool for perturbing endogenous gene regulation, modulation of epigenetic markers, and genome architecture. However, there are concerns about the specificity of the system, especially the usages of knocking out a gene. Previous designing tools either were mostly built-in websites or ran as command-line programs, and none of them ran locally and acquired a user- friendly interface. In addition, with the development of CRISPR-derived systems, such as chromosome imaging, there were still no tools helping users to generate specific end-user spacers. We herein present researchers to design primers CRISPR Primer Designer for for CRISPR applications. Theprogram has a user-frfendly interface, can analyze the BLAST results by using multiple parameters, score for each candidate spacer, and generate the primers when using a certain plasmid. In addition, CRISPR Primer Designer runs locally and can be used to search spacer clusters, and exports primers for the CRiSPR-Cas system-based chromosome imaging system.

关键词： Chromosome imaging CRISPR knockout primer software

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Effects of Heat Treatment on Surface Recrystallization and Stress Rupture Properties of a Fourth-Generation Single-Crystal Superalloy after Grit Blasting

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Acta Metallurgica Sinica(English Letters) 2017年第7期30卷 614-620页

作者： Zhen-xue shi shi-Zhong Liu Xiao-Guang Wang Jia-rong Li Science and Technology on Advanced High Temperature Structural Materials Laboratory Beijing Institute of Aeronautical Materials Beijing 100095 China

The specimens of a fourth-generation single-crystal superalloy were grit-blasted and heat-treated in vacuum at 1100, 1150, 1200, 1250 and 1300 °C for 4 h, respectively. Then, the microstructure and the stress rupture properties of the recrystallized alloy were investigated at 1150 °C/120 MPa. The results showed that a cellular recrystallization occurred in the surface layer after heating at 1100, 1150 and 1200 °C for 4 h. An equiaxed recrystallization formed as the specimen was heat-treated at 1300 °C for 4 h, while a mixed recrystallization occurred in the specimen heat-treated at 1250 °C for 4 h. The recrystallized depth clearly increased with a rise of the heat treatment temperature. The stress rupture life continuously decreased with a rise of the heat treatment temperature up to 1250 °C. Although the overall stress rupture life reduced to different degrees, the stress rupture life of specimen after heat treatment at 1300 °C was relatively high and intermediate between those of specimens treated at 1150 and 1200 °C. The fact that the stress rupture life reduced to different degrees after heat treatment can be attributed to the recrystallization of the surface layer and to the microstructure evolution of the interior of the specimen. The small γ’ phase precipitated again after heat treatment at 1300 °C for 4 h. So,the stress rupture life was relatively longer than that after heat treatment at 1200 or 1250 °C although the equiaxed recrystallization formed in the surface layer.

关键词： Single-crystal superalloy Heat treatment Recrystallization Stress rupture properties

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Manipulating Precipitation Through Thermomechanical Treatment to Control Corrosion Behavior of an Al–Cu–Mg Alloy

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Acta Metallurgica Sinica(English Letters) 2022年第9期35卷 1547-1558页

作者： Xiu-rong Zhu Jun Wang Wei-Ning shi xue-Bing Liu Xin-Fang Zhang Hai-Fei Zhou Ningbo Branch Ordnance Science Institute of ChinaNingbo315103China School of Metallurgical and Ecological Engineering Metallurgical University of Science and Technology of BeijingBeijing100083China Zhejiang Electric Power Corporation Research Institute Hangzhou310000China

Controlling the precipitation through thermomechanical treatment is an important method to improve the corrosion resistance of Al–Cu–Mg alloys. In this study, the corrosion behaviors of Al–Cu–Mg alloys in the solution-treated state and retrogressiontreated state under cold rolling deformation and then natural aging were investigated. In the solution-treated series alloys, the cold-rolled deformation improved the resistance to intergranular corrosion by suppressing the precipitation of the S-phase on the grain boundaries. The increased pitting potential and corrosion potential were related to the increased concentration of solute atoms within the grain interiors and the eliminated S-phase on grain boundaries. In the retrogression-treated series alloys, the 30% cold rolling deformation stimulated the growth of the S-phase and transformed the S-phase distribution from discontinuous to continuous on the grain boundaries, thereby changing the pitting corrosion to the network corrosion morphology. The precipitation of the S-phase with large dimension within the grain interiors contributed to the decreased pitting potential and corrosion potential.

关键词： Thermomechanical treatment Precipitation Intergranular corrosion Pitting corrosion

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Network Pharmacology in Research of Chinese Medicine Formula: Methodology, Application and Prospective

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Chinese Journal of Integrative Medicine 2020年第1期26卷 72-80页

作者： LUO Ting-ting LU Yuan YAN shi-kai XIAO xue rong Xiang-lu GUO Jiao Institute of Traditional Chinese Medicine Guangdong Pharmaceutical UniversityGuangzhou 510006China Guangdong Metabolic Diseases Research Center of Integrated Chinese and Western Medicine Guangzhou 510006China School of Pharmacy Shanghai Jiao Tong UniversityShanghai 200240China

Chinese medicine(CM) is usually prescribed as CM formula to treat disease. The lack of effective research approach makes it difficult to elucidate the molecular mechanisms of CM formula owing to its complicated chemical compounds. Network pharmacology is increasingly applied in CM formula research in recent years, which is identified suitable for the study of CM formula. In this review, we summarized the methodology of network pharmacology, including network construction, network analysis and network verification. The aim of constructing a network is to achieve the interaction between the bioactive compounds and targets and the interaction between various targets, and then find out and validate the key nodes via network analysis and network verification. Besides, we reviewed the application in CM formula research, mainly including targets discovery, bioactive compounds screening, toxicity evaluation, mechanism research and quality control research. Finally, we proposed prospective in the future and limitations of network pharmacology, expecting to provide new strategy and thinking on study for CM formula.

关键词： network pharmacology Chinese medicine formula targets discovery mechanism research quality control research

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Effect of Hf on Stress Rupture Properties of DD6 Single Crystal Superalloy After Long Term Aging

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Journal of Iron and Steel Research(International) 2012年第7期19卷 66-70页

作者： shi Zhen-xue LI Jia-rong LIU shi-zhong National Key Laboratory of Science and Technology on Advanced High Temperature Structural Materials Beijing Institute of Aeronautical Materials Beijing 100095China

The specimens of the second generation single crystal superalloy DD6 with different Hf contents were prepared in the directionally solidified furnace with a high temperature gradient. The long term aging of the specimens after full heat treatment was performed at 1040℃for 800 h. The effect of Hf on the microstructure and stress rupture properties under 980℃/250 MPa of the alloy after long term aging was investigated. The results show that the γ＇ coarsening and rafting and no topologically close packed phase （TCP） are observed in the microstructures of DD6 alloy with different Hf contents after aged at 1 040℃ for 800 h. It indicates that DD6 alloy with different Hf contents all possesses good microstructure stability. With increasing Hf content the rupture life after long term aging turns shorter and the elongation represents the increasing first and decreasing afterwards. The fracture mechanism of the alloy with different Hf contents at 980℃/250 MPa all shows dimple model. The influence of the microstructures on the stress rupture properties of the alloy is also discussed.

关键词： DD6 single crystal superalloy stress rupture property long term aging

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