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Science China Chemistry 2024年第6期67卷 1946-1952页

作者： Jiahui Xian Kaixing cai Peisen Liao Shihan Wang Guangqin Li Key Laboratory of Bioinorganic and Synthetic Chemistry of Ministry of Education LIFMIGCMESchool of ChemistrySun Yat-Sen UniversityGuangzhou510275China

Electrocatalytic conversion of waste nitrogen oxide(NO_(x))into value-added nitrogenous chemicals,especially amino acid,is an emerging strategy to alleviate NO_(x)***,this process suffers from the coexistence of multiple competitive reactions leading to complex product distribution and low efficiency,and thus the rational design and modulation of efficient catalysts remains a formidable ***,well-designed Co nanoparticles encapsulated in hollow carbon nanofiber(CoHCNF)were constructed to promote the amino acid electrosynthesis via dealing waste NO_(x)coupling with biomass-derived keto *** to the rapid reactant diffusion,electron transport and efficient contact with abundant accessible Co catalytic sites stemmed from the unique hollow nanotubular structure,Co-HCNF manifested impressive glycine synthesis performance in one-pot adopting NO as the nitrogen source with Faradaic efficiency(FE)of 41.7%and a corresponding yield rate of 222.3μmol h^(-1)as well as 120 h robust ***,it also demonstrates an excellent performance with the FE of 42.8%for NO_(3)~-solution as the nitrogen ***,this strategy displays a broad universality for the synthesis of other amino *** work not only highlights the importance of hollow-structuring electrocatalyst towards upgrading wasted NO_(x)species into amino acids,but also promotes the further development of electrosynthetic systems for high-valued N-containing organic chemicals.

关键词： electrocatalysis NO_(x)reduction amino acid porous materials hollow structure

Low-cycle fatigue behavior of solutionized and aged WE43 magnesium alloys at room temperature

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Journal of Magnesium and Alloys 2024年第6期12卷 2284-2297页

作者： Yong cai Jianxiong Wei Hong Yan Yipeng Chen Rongshi Chen School of Materials Science and Engineering University of Science and Technology of China72 Wenhua RoadShenyang 110016China Shi-changxu Innovation Center for Advanced Materials Institute of Metal ResearchChinese Academy of Sciences72 Wenhua RoadShenyang 110016China School of Materials Science and Engineering Shandong University of Science and TechnologyQingdaoShandong 266590China

The low-cycle fatigue behavior of solutionized(T4)and aged(T6)WE43 magnesium alloys was studied at room *** total strain amplitudes(△ε_(t)/2)were 0.4%,0.5%,0.6%,0.7%and 1.0%.Detailed microstructure evolution was characterized by scanning electron microscope(SEM),electron backscattered diffraction(EBSD)and transmission electron microscopy(TEM).The results showed that plastic strain amplitude decreased with the increasing cycle number in T4 alloy,which is due to the dense persistent slip bands(PSBs)and dynamic precipitates hinderingdislocation *** contrast,the plastic strain amplitude increases gradually in T6 alloy,which is attributed to the enhanced activation of pyramidal *** low-cycle fatigue life of T6 alloy with larger fatigue ductility coefficient is longer than that of T4 *** Coffin-Manson model can accurately predict the fatigue life of T4 and T6 alloys compared to Jahed-Varvani(JV)energy *** T4 alloy,the fatigue damage mechanism was dominated by basal *** T6 alloy,the enhanced pyramidal slip plays an important role to accommodate plastic deformation.

关键词： Low-cycle fatigue WE43 alloy Cyclic hardening/softening JV model Dislocation

Coherence entropy during propagation through complex media

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Advanced Photonics 2024年第4期6卷 25-35页

作者： Xingyuan Lu Zhuoyi Wang Qiwen Zhan Yangjian cai Chengliang Zhao Soochow University School of Physical Science and TechnologyJiangsu Key Laboratory of Frontier Material Physics and DevicesSuzhouChina University of Shanghai for Science and Technology School of Optical-Electrical and Computer EngineeringShanghaiChina Shandong Normal University School of Physics and ElectronicsShandong Provincial Engineering and Technical Center of Light ManipulationsShandong Provincial Key Laboratory of Optics and Photonic DeviceJinanChina East China Normal University Joint Research Center of Light Manipulation Science and Photonic Integrated Chip of East China Normal University and Shandong Normal UniversityShanghaiChina

The deformation,flicker,and drift of a light field owing to complex media such as a turbulent atmosphere have limited its practical ***,research on invariants in randomly fluctuated light fields has garnered considerable attention in recent *** is a statistical property of light,while its full and quantitative characterization is ***,we successfully realize the orthogonal modal decomposition of partially coherent beams and introduce the application of coherence entropy as a global coherence characteristic of such randomly fluctuated light *** is demonstrated that coherence entropy remains consistent during propagation in a unitary system by unraveling complex *** representative examples,we study the robustness of coherence entropy for partially coherent beams as they propagate through deformed optical systems and turbulent *** entropy is anticipated to serve as a key metric for evaluating the propagation of partially coherent beams in complex *** study paves the way for a broader application scope of a customized low-coherence light field through nonideal optical systems and complex media.

关键词： complex media propagation invariant modal decomposition orbital angular momentum statistical optics coherence

Rational engineering of homospermidine synthase for enhanced catalytic efficiency toward spermidine synthesis

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Synthetic and Systems Biotechnology 2024年第3期9卷 549-557页

作者： Wenjing Liu Xiaoxiang Hu Yi Yan Yujie cai The Key Laboratory of Industrial Biotechnology Ministry of EducationSchool of BiotechnologyJiangnan University1800 Lihu RoadWuxiJiangsu214122China

Spermidine is a naturally occurring polyamine widely utilized in the prevention and treatment of various *** spermidine biosynthetic methods have problems such as low efficiency and complex multi-enzyme *** on sequence-structure-function relationships,we engineered the widely studied homospermidine synthase from Blastochloris viridis(BvHSS)and obtained mutants that could catalyze the production of spermidine from 1,3-diaminopropane and *** specific activities of BvHSS and the mutants D361E and E232D+D361E(E232D-D)were 8.72,46.04 and 48.30 U/mg,*** optimal pH for both mutants was 9.0,and the optimal temperature was 50◦*** docking and dynamics simulations revealed that mutating aspartic acid at position 361 to glutamic acid narrowed the substrate binding pocket,promoting stable spermidine ***,mutating glutamic acid at position 232 to aspartic acid enlarged the substrate channel entrance,facilitating substrate entry into the active pocket and enhancing spermidine *** whole-cell catalysis lasting 6 h,D361E and E232D-D synthesized 725.3 and 933.5 mg/L of spermidine,*** study offers a practical approach for single-enzyme catalyzed spermidine synthesis and sheds light on the crucial residues influencing homospermidine synthase catalytic activity in spermidine production.

关键词： Homospermidine synthase Polyamine Site-directed mutagenesis Spermidine Structural analysis

Base-controlled NHC-Ru-catalyzed transfer hydrogenation andα-methylation/transfer hydrogenation of ketones using methanol

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Chinese Chemical Letters 2024年第7期35卷 276-280页

作者： Ming Huang Xiuju cai Yan Liu Zhuofeng Ke School of pharmacy School of clinical pharmacyGuangdong Pharmaceutical UniversityGuangzhou 510006China School of Materials Science&Engineering PCFM LabSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China

Herein,we report the NHC-Ru catalyst system that realizes the chemo-selective transformation of ketones with *** simply changing the base,a broad range of structurally diverse ketones,could be selectively and efficiently converted to the correspondingβ-methylated secondary alcohols or secondary ***,this catalytic system was very effective for the synthesis of bio-related molecules and deuterated alcohols,as well as the three-component coupling between methyl ketones,primary alcohols,and *** reaction mechanism was further revealed by experiment and DFT mechanistic investigations.

关键词： Ru complexes Methanol Ketones β-Methylated secondary alcohols Transfer hydrogenation

Emerging role of regulated cell death in intestinal failure-associated liver disease

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Hepatobiliary & Pancreatic Diseases International 2024年第3期23卷 228-233页

作者： Si-Yang Cheng Lu Jiang Ying Wang Wei cai Department of Pediatric Surgery Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China Shanghai Key Laboratory of Pediatric Gastroenterology and Nutrition Shanghai 200092China Shanghai Institute for Pediatric Research Shanghai 200092China Division of Pediatric Gastroenterology and Nutrition Xinhua HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200092China

Intestinal failure-associated liver disease(IFALD)is a common complication of long-term parenteral nutrition that is associated with significant morbidity and *** is mainly characterized by cholestasis in children and steatohepatitis in ***,there is no effective approach to prevent or reverse the *** cell death(RCD)represents a fundamental biological paradigm that determines the outcome of a variety of liver *** cell death is reclassified into several types,based on the mechanisms and morphological *** evidence has linked different modes of RCD,such as apoptosis,necroptosis,ferroptosis,and pyroptosis to the pathogenesis of liver *** studies have shown that different modes of RCD are present in animal models and patients with *** the pathogenic roles of cell death may help uncover the underlying mechanisms and develop novel therapeutic strategies in *** this review,we discuss the current knowledge on how RCD may link to the pathogenesis of *** highlight examples of cell death-targeted interventions aiming to attenuate the disease,and provide perspectives for future basic and translational research in the field.

关键词： Parenteral nutrition Apoptosis Necroptosis Cholestasis Steatosis

Solving Multi-Objective Vehicle Routing Problems with Time Windows: A Decomposition-Based Multiform Optimization Approach

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Tsinghua Science and Technology 2024年第2期29卷 305-324页

作者： Yiqiao cai Zifan Lin Meiqin Cheng Peizhong Liu Ying Zhou Xiamen Key Laboratory of Data Security and Blockchain Technology College of Computer Science and TechnologyHuaqiao UniversityXiamen361021China College of Engineering Huaqiao UniversityQuanzhou362000China School of Computer Sciences Shenzhen Institute of Information TechnologyShenzhen518000China

In solving multi-objective vehicle routing problems with time windows (MOVRPTW),most existing algorithms focus on the optimization of a single problem formulation. However,little effort has been devoted to exploiting valuable knowledge from the alternate formulations of MOVRPTW for better optimization performance. Aiming at this insufficiency,this study proposes a decomposition-based multi-objective multiform evolutionary algorithm (MMFEA/D),which performs the evolutionary search on multiple alternate formulations of MOVRPTW simultaneously to complement each other. In particular,the main characteristics of MMFEA/D are three folds. First,a multiform construction (MFC) strategy is adopted to construct multiple alternate formulations,each of which is formulated by grouping several adjacent subproblems based on the decomposition of MOVRPTW. Second,a transfer reproduction (TFR) mechanism is designed to generate offspring for each formulation via transferring promising solutions from other formulations,making that the useful traits captured from different formulations can be shared and leveraged to guide the evolutionary search. Third,an adaptive local search (ALS) strategy is developed to invest search effort on different alternate formulations as per their usefulness for MOVRPTW,thus facilitating the efficient allocation of computational resources. Experimental studies have demonstrated the superior performance of MMFEA/D on the classical Solomon instances and the real-world instances.

关键词： MOVRPTW multiform optimization multiform construction knowledge transfer adaptive local search

Microstructure and impact behavior of Mg-4Al-5RE-xGd cast magnesium alloys

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Journal of Magnesium and Alloys 2024年第5期12卷 1799-1814页

作者： Jie Wei Qudong Wang Huisheng cai Mahmoud Ebrahimi Chuan Lei National Engineering Research Center of Light Alloy Net Forming and Key State Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China

This work investigated the microstructure and impact behavior of Mg-4Al-5RE-xGd(RE represents La-Ce mischmetal;x=0,0.2,0.7 wt.%)alloys cast by high-pressure die casting(HPDC),permanent mold casting(Pmc),and sand casting(SC)*** results indicated that with increasing Gd content,the grain sizes of the HPDC alloy had a slight change,but the grains of the Pmc and SC alloys were significantly ***,the acicular Al_(11)RE_(3)phase was modified into the short-rod shape under the three casting *** impact toughness of the studied alloy was mainly dominated by the absorbed energy during the crack *** increasing Gd content,the impact toughness of the studied alloy monotonically increased due to the lower tendency of the modified second phase toward crack *** impact stress was higher than the tensile stress,exhibiting a strain rate sensitivity for the mechanical response;however,the HPDC alloy had an inconsistent strain rate sensitivity during the impact event due to the transformation of the deformation mechanism from twinning to slip with increasing *** dimples covered the fracture surface of the fine-grained HPDC alloys,indicating a typical ductile ***,due to the deficient{1012}twinning activity and the suppressed grain boundary sliding during the impact event,the HPDC alloys showed insufficient plastic deformation capacity.

关键词： Mg-Al-RE alloy Gadolinium Microstructure Impact behavior

Transient Monte Carlo simulation of phonon transport in silicon nanofilms with the local heat source

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Science China(Technological Sciences) 2024年第7期67卷 2087-2098页

作者： LI JiaQi cai JiuQing LI Rui LIU ZhiChun LIU Wei School of Energy and Power Engineering Huazhong University of Science and TechnologyWuhan 430074China Wuhan Second Ship Design and Research Institute Wuhan 430205China

Accurate prediction of junction temperature is crucial for the efficient thermal design of silicon nano-devices. In nano-scale semiconductor devices, significant ballistic effects occur due to the mean free path of phonons comparable to the heat source size and device scale. We employ a three-dimensional non-gray Monte Carlo simulation to investigate the transient heat conduction of silicon nanofilms with both single and multiple heat sources. The accuracy of the present method is first verified in the ballistic and diffusion limits. When a single local heat source is present, the width of the heat source has a significant impact on heat conduction in the domain. Notably, there is a substantial temperature jump at the boundary when the heat source width is 10 *** increasing heat source width, the boundary temperature jump weakens. Furthermore, we observe that the temperature excitation rate is independent of the heat source width, while the temperature influence range expands simultaneously with the increase in heat source width. Around 500 ps, the temperature and heat flux distribution in the domain stabilize. In the case of dual heat sources, the hot zone is broader than that of a single heat source, and the temperature of the hot spot decreases as the heat source spacing increases. However, the mean heat flux remains unaffected. Upon reaching a spacing of 200 nm between the heat sources, the peak temperature in the domain remains unchanged once a steady state is reached. These findings hold significant implications for the thermal design of silicon nano-devices with local heat sources.

关键词： phonon transport Monte Carlo simulation transient heat conduction silicon nanofilms local heat source

Cooperation between single atom catalyst and support to promote nitrogen electroreduction to ammonia:A theoretical insight

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Journal of Energy Chemistry 2024年第9期96卷 336-344页

作者： Wanying Guo Siyao Wang Hongxia Wang Qinghai cai Jingxiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025HeilongjiangChina

The co-catalysis between single atom catalyst(SAC)and its support has recently emerged as a promising strategy to synergistically boost the catalytic activity of some complex electrochemical reactions,encompassing multiple intermediates and ***,we utilized defective BC_(3)monolayer-supported SACs as a prototype to investigate the cooperative effects of SACs and their support on the catalytic performance of the nitrogen reduction reaction(NRR)for ammonia(NH_(3))*** results showed that these SACs can be firmly stabilized on these defective BC_(3)supports with high stability against ***,co-activation of the inert N_(2)reactant was observed in certain embedded SACs and their neighboring B atoms on certain BC3 sheets due to the noticeable charge transfer and significant N–N bond *** high-throughput screening revealed that the Mo/DV_(CC)and W/DV_(CC)exhibit superior NRR catalytic performance,characterized by a low limiting potential of−0.33 and−0.43 V,respectively,which can be further increased under acid conditions based on the constant potential ***,varying NRR catalytic activities can be attributed to the differences in the valence state of active ***,further microkinetic modeling analysis displayed that the turnover frequency of N_(2)–to–NH_(3)conversion on Mo/DV_(CC)is as large as 1.20×10^(−3)s^(−1)site^(−1) at 700 K and 100 bar,thus guaranteeing its ultra-fast reaction *** results not only suggest promising advanced electrocatalysts for NRR but also offer an effective avenue to regulate the electrocatalytic performance via the co-catalytic metal–support interactions.

关键词： Co-catalysis Single atom catalyst Nitrogen reduction DFT computations