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Chord length sampling correction analysis for dispersion fuel in Monte Carlo simulation

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Nuclear Science and Techniques 2024年第4期35卷 57-64页

作者： Zhao-Yu Liang Ding She Yu-Tong Wen Lei Shi Institute of Nuclear and New Energy Technology(INET) Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China

Dispersion fuels,knowned for their excellent safety performance,are widely used in advanced reactors,such as hightemperature gas-cooled *** with deterministic methods,the Monte Carlo method has more advantages in the geometric modeling of stochastic *** explicit modeling method has high computational accuracy and high computational *** chord length sampling(CLS)method can improve computational efficiency by sampling the chord length during neutron transport using the matrix chord length?s probability density *** study shows that the excluded-volume effect in realistic stochastic media can introduce certain deviations into the CLS.A chord length correction approach is proposed to obtain the chord length correction factor by developing the Particle code based on equivalent transmission *** numerical analysis against reference solutions from explicit modeling in the RMC code,it was demonstrated that CLS with the proposed correction method provides good accuracy for addressing the excludedvolume effect in realistic infinite stochastic media.

关键词： Stochastic media Monte Carlo Chord length sampling Excluded-volume effect Chord length correction

Data-driven Wasserstein distributionally robust chance-constrained optimization for crude oil scheduling under uncertainty

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Chinese Journal of Chemical engineering 2024年第5期69卷 152-166页

作者： Xin Dai Liang Zhao Renchu He Wenli Du Weimin Zhong Zhi Li Feng Qian key laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and TechnologyShanghai 200237China engineering Research Center of Process System engineering Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

Crude oil scheduling optimization is an effective method to enhance the economic benefits of oil *** uncertainties,including uncertain demands of crude distillation units(CDUs),might make the production plans made by the traditional deterministic optimization models infeasible.A data-driven Wasserstein distributionally robust chance-constrained(WDRCC)optimization approach is proposed in this paper to deal with demand uncertainty in crude oil ***,a new deterministic crude oil scheduling optimization model is developed as the basis of this *** Wasserstein distance is then used to build ambiguity sets from historical data to describe the possible realizations of probability distributions of uncertain demands.A cross-validation method is advanced to choose suitable radii for these ambiguity *** deterministic model is reformulated as a WDRCC optimization model for crude oil scheduling to guarantee the demand constraints hold with a desired high probability even in the worst situation in ambiguity *** proposed WDRCC model is transferred into an equivalent conditional value-at-risk representation and further derived as a mixed-integer nonlinear programming *** case studies from a real-world refinery are conducted to show the effectiveness of the proposed ***-of-sample tests demonstrate that the solution of the WDRCC model is more robust than those of the deterministic model and the chance-constrained model.

关键词： Distributions Model Optimization Crude oil scheduling Wasserstein distance Distributionally robust chance constraints

Transcriptome Analysis of Heterosis in Survival in the Hybrid Progenies of‘Haida No.1’and Orange-Shelled Lines of the Pacific Oyster Crassostrea gigas

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Journal of Ocean University of China 2024年第1期23卷 199-208页

作者： YANG Hang LI Qi key laboratory of Mariculture Ministry of EducationOcean University of ChinaQingdao 266003China

Heterosis has been exploited to enhance the yield and adaptability in various shellfish species;however,the molecular basis of it remains *** Pacific oyster Crassostrea gigas is one of the most economically important aquaculture species,and its productive traits can be improved by ***,an intraspecific cross between orange shell(O,10th generation)and‘Haida No.1’(H,13th generation)of *** was performed to assess the heterosis of survival *** rates of hybrid family(OH)and inbred families(HH and OO)were compared at larval stage,and eyed-pediveliger larvae of three families were subjected to transcriptome *** analysis results of best-parent heterosis and mid-parent heterosis showed that the hybrid family exhi-bited a high heterosis in survival relative to the parental *** OH-M(OH ***)and OH-P(OH ***)had 425 and 512 dif-ferentially expressed genes(DEGs),*** enrichment analysis of these DEGs revealed that the significantly enrich-ed genes function in virion binding,C-type lectin receptor signaling pathway,cellular defense response and other immune-related pro-cesses,which involves perlucin-like protein,CD209 antigen-like protein,ZNFX1,caspase-3 and acan *** differentially ex-pressed genes in OH-M and OH-P,together with the immune-related processes mentioned above may play an important role in the larval survival of *** addition,three genes(CYP450,fucolectin and perlucin-like)are associated with the orange shell and low survival of maternal oyster *** findings provide support for the application of hybrid with superior survival and will facilitate the understanding of heterosis formation in the Pacific oyster.

关键词： Crassostrea gigas survival rate heterosis transcriptome

Simulation of Fracture Process of Lightweight Aggregate Concrete Based on Digital Image Processing Technology

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Computers, Materials & Continua 2024年第6期79卷 4169-4195页

作者： Safwan Al-sayed Xi Wang Yijiang Peng key laboratory of Urban Security and Disaster engineering Ministry of EducationBeijing University of TechnologyBeijing100124China

The mechanical properties and failure mechanism of lightweight aggregate concrete(LWAC)is a hot topic in the engineering field,and the relationship between its microstructure and macroscopic mechanical properties is also a frontier research topic in the academic *** this study,the image processing technology is used to establish a micro-structure model of lightweight aggregate *** the information extraction and processing of the section image of actual light aggregate concrete specimens,the mesostructural model of light aggregate concrete with real aggregate characteristics is *** numerical simulation of uniaxial tensile test,uniaxial compression test and three-point bending test of lightweight aggregate concrete are carried out using a new finite element method-the base force element method ***,the image processing technology is used to produce beam specimens,uniaxial compression specimens and uniaxial tensile specimens of light aggregate concrete,which can better simulate the aggregate shape and random distribution of real light aggregate ***,the three-point bending test is numerically ***,the uniaxial compression specimen generated by image processing technology is numerically ***,the uniaxial tensile specimen generated by image processing technology is numerically *** mechanical behavior and damage mode of the specimen during loading were *** results of numerical simulation are compared and analyzed with those of relevant *** feasibility and correctness of the micromodel established in this study for analyzing the micromechanics of lightweight aggregate concrete materials are *** processing technology has a broad application prospect in the field of concrete mesoscopic damage analysis.

关键词： Digital image processing lightweight aggregate concrete mesoscopic model numerical simulation fracture analysis bending beams

When mRNA meets gene editing

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Nano Research 2024年第8期17卷 7337-7356页

作者： Weijie Li Chen Wang Yuan Lu key laboratory of Industrial Biocatalysis Ministry of EducationDepartment of Chemical EngineeringTsinghua UniversityBeijing 100084China Department of Chemical engineering Tsinghua UniversityBeijing 100084China

The critical challenge of gene therapy lies in delivering gene editing *** with DNA,while RNA is less stable and more accessible to degrade,it comes with the benefit of lower off-target effects since permanent insertion is not *** review focuses on mRNA-based delivery of gene editing agents,highlighting novel mRNA delivery *** provide context,a comparison is made between three main gene editing agents:programmable nucleases,base editors,and prime *** potential of Cas\pi and transposons is also discussed in this ***,a summary of four main barriers to mRNAbased in vivo delivery is ***,this review detailedly introduced different delivery systems,both viral(lentivirus)and non-viral vectors(genome editing via oviductal nucleic acids delivery,lipid nanoparticles,polymer-based nanoparticles,viruslike-particles,extracellular vesicles,and migrasome).Each delivery strategy is assessed by comparing its advantages and disadvantages to offer a comprehensive and objective overview of the delivery ***,we emphasized the vital role of the protein corona as a critical regulator for ***,we concluded the challenges of mRNA-based gene editing strategies(RNA stability,targeting,potential immunogenicity,cytotoxicity,heterogeneity,and rational design).The purpose of this review is to guide further research and provide a comprehensive analysis of mRNA-based in vivo delivery of gene editing agents in this promising field.

关键词： gene editing mRNA delivery viral vectors non-viral vectors CRISPR

A practical guide for fast implementation of SNARE-mediated liposome fusion

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Biophysics Reports 2024年第1期10卷 31-40页

作者： Shen Wang Cong Ma key laboratory of molecular Biophysics of the ministry of education College of Life Science and TechnologyHuazhong University of Science and Technology

Soluble N-ethylmaleimide-sensitive factor attachment protein receptor(SNAER) family proteins are the engines of most intra-cellular and exocytotic membrane fusion pathways(Jahn and Scheller 2006).Over the past two decades, in-vitro liposome fusion has been proven to be a powerful tool to reconstruct physiological SNARE-mediated membrane fusion processes(Liu et al. 2017). The reconstitution of the membrane fusion process not only provides direct evidence of the capability of the cognate SNARE complex in driving membrane fusion but also allows researchers to study the functional mechanisms of regulatory proteins in related pathways(Wickner and Rizo 2017). Heretofore, a variety of delicate methods for in-vitro SNARE-mediated liposome fusion have been established(Bao et al. 2018;Diao et al. 2012; Duzgunes 2003; Gong et al. 2015; Heo et al. 2021; Kiessling et al. 2015; Kreye et al.2008; Kyoung et al. 2013; Liu et al. 2017; Scott et al. 2003). Although technological advances have made reconstitution more physiologically relevant, increasingly elaborate experimental procedures, instruments, and data processing algorithms nevertheless hinder the non-experts from setting up basic SNARE-mediated liposome fusion assays. Here, we describe a low-cost, timesaving, and easy-to-handle protocol to set up a foundational in-vitro SNARE-mediated liposome fusion assay based on our previous publications(Liu et al. 2023; Wang and Ma 2022). The protocol can be readily adapted to assess various types of SNARE-mediated membrane fusion and the actions of fusion regulators by using appropriate alternative additives(e.g., proteins, macromolecules, chemicals, etc.). The total time required for one round of the assay is typically two days and could be extremely compressed into one day.

关键词： Liposome fusion SNARE In-vitro reconstitution Protocol

Combined effects of sea urchin-like structure and mixed Cu^(+)/Cu^(0)states on promoting C_(2)formation in electrocatalytic CO_(2)reduction

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Frontiers of Chemical Science and engineering 2024年第3期18卷 63-73页

作者： Mengqing Shan Dongsheng Lu Jiatong Dong Shen Yan Jinyu Han Hua Wang Collaborative Innovation Center of Chemical Science and engineering Key Laboratory for Green Chemical Technology of the Ministry of EducationSchool of Chemical Engineering and TechnologyTianjin UniversityTianjin300354China

Surface engineering and Cu valence regulation are essential factors in improving the C_(2)selectivity during the electrochemical reduction of CO_(2).Herein,we present a sea urchin-like CuO/Cu_(2)O catalyst derived from rhombic dodecahedra Cu_(2)O through one-step oxidation/etching method where the mixed Cu^(+)/Cu^(0)states are formed via in situ reduction during *** combined effects of the morphology and the mixed Cu^(+)/Cu^(0)states on C–C coupling are evaluated by the Faradaic efficiency of C_(2)and the C_(2)/C1 ratio obtained in an H-cell.R-Cu^(O)/Cu_(2)O exhibited 49.5%Faradaic efficiency of C_(2)with a C_(2)/C1 ratio of 3.1 at−1.4 V *** hydrogen electrode,which are 1.5 and 3.2 times higher than those of R-Cu_(2)O,*** a flow-cell,68.0%Faradaic efficiency of C_(2)is achieved at a current density of 500 mA·cm^(−2).The formation of the mixed Cu^(+)/Cu^(0)states was confirmed by in situ Raman ***,the sea urchin-like structure provides more active sites and enables faster electron *** a result,the excellent C_(2)production on R-CuO/Cu_(2)O is primarily attributed to the synergistic effects of the sea urchin-like structure and the stable mixed Cu^(+)/Cu^(0)***,this work presents an integrated strategy for developing Cu-based electrocatalysts for C_(2)production through electrochemical CO_(2)reduction.

关键词： CO_(2)electrolysis sea urchin-like structure Cu^(+)/Cu^(0) C_(2)products

Polyphenol-mediated interfacial deposition strategy for supported manganese oxide catalysts with excellent pollutant degradation performance

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Chinese Chemical Letters 2024年第5期35卷 493-498页

作者： Dong Cheng Youyou Feng Bingxi Feng Ke Wang Guoxin Song Gen Wang Xiaoli Cheng Yonghui Deng Jing Wei The key laboratory of Biomedical Information engineering of ministry of education State Key Lab of Transducer TechnologySchool of Life Science and TechnologyXi’an Jiaotong UniversityXi’an 710049China School of Environmental and Municipal engineering Xi’an University of Architecture and TechnologyXi’an 710055China Department of Chemistry State Key Laboratory of Molecular Engineering of PolymersState Key Laboratory of Transducer TechnologyFudan UniversityShanghai 200433China key laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China

In persulfate-based advanced oxidation process(PS-AOPs),fixing nanosized metal oxide on processable substrates is highly desirable to avoid the aggregation and loss of nanocatalysts during the practical ***,it is still challenging to develop a versatile strategy for the deposition of metal oxide nanocatalysts on various substrates with different physicochemical ***,polyphenols are utilized as a“molecular glue”and reductant to mediate the interfacial deposition of MnO_(2) nanocatalysts on different ***_(2) nanocatalysts were in-situ grown on macroscope mineral substrates(e.g.,airstone)via an interfacial redox strategy between tannic acid(TA)and oxidized KMnO4,and then employed as a fixed catalyst of peroxymonosulfate(PMS)activation for treating pharmaceutical and personal care products(PPCPs)in *** fixed MnO_(2) exhibited superior catalytic performance toward different PPCPS via a singlet oxygen(^(1)O_(2))-dominated nonradical oxidation *** in the secondary effluent of wastewater treatment plants could be effectively removed by a fixed-bed column of the fixed MnO_(2) with long term *** cycle of Mn^(4+)/Mn^(3+)and surface hydroxyl group of the fixed MnO_(2) was proved to be responsible for the activation of *** work provides a new avenue for developing fixed metal oxides for sustainable water treatment.

关键词： Redox strategy Manganese oxides Fixed catalyst Peroxymonosulfate PPCPs

Nanocomposite: Keggin-type Co_(4)-polyoxometalate@cobaltporphyrin linked graphdiyne for hydrogen evolution in seawater

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Nano Research 2024年第3期17卷 1281-1287页

作者： Jiejie Ping Danyang He Fei Wang Nan Wang Yi-cheng Fu Zihao Xing Zhiyu Jia Guo-Yu Yang key laboratory of Cluster Science Ministry of EducationSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China key laboratory of Polyoxometalate and Reticular Material Chemistry of ministry of education Facluty of Chmeistry Northeast Normal UniversityChangchun 130024China Peking University Third Hospital Beijing 100190China

Polyoxometalate-based nanocomposites with electrocatalytic activity have been applied in hydrogen evolution reactions(HER).Seawater as the main water resource on the earth should be developed as the water electrolysis to prepare high-purity *** this paper,we used two synthesis strategies to prepare the nanocomposite Co_(4)-POM@Co-PGDY(Co_(4)-POM:the Kegging-type microcrystals of K_(10)[Co_(4)(PW_(9)O_(3)4)2]and Co-PGDY:cobalt-porphyrin linked graphdiyne)with excellent activity for ***-PGDY as the porous material is applied not only as the protection of microcrystals towards the metal ion in seawater but also as the co-electrocatalyst of Co_(4)-***_(4)-POM@Co-PGDY exhibits excellent HER performance in seawater electrolytes with low overpotential and high stability at high ***,we have observed a key H_(3)O+intermediate emergence on the surface of nanocomposite during hydrogen evolution process in seawater by Raman synchrotron radiation-based Fourier transform infrared(SR-FTIR).The results in this paper provide an effective strategy for preparing polyoxometalate-based electrocatalysts with high-performance toward hydrogen evolution reaction.

关键词： polyoxometalate graphdiyne seawater hydrogen evolution reaction