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Molecular basis of cross-interactions between Aβ and Tau protofibrils probed by molecular simulations

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Chinese Journal of Chemical Engineering 2023年第3期55卷 173-180页

作者： Fufeng Liu luying Jiang Jingcheng sang Fuping lu Li Li State Key Laboratory of Food Nutrition and Safety Key Laboratory of Industrial Fermentation Microbiology of Ministry of EducationTianjin Key Laboratory of Industrial MicrobiologyCollege of BiotechnologyTianjin University of Science&TechnologyTianjin 300457China College of Marine and Environmental Science Tianjin University of Science&TechnologyTianjin 300457China

Amyloid β-protein(Aβ) and Tau, two common pathogenic proteins associated with Alzheimer’s disease(AD), cross-interact, and thus co-assemble into hybrid aggregates. However, molecular mechanism of the cross-interactions remains unclear. To explore the issue, docking and molecular dynamics(MD) simulations were coupled to study the cross-interactions between Aβ pentamer and Tau pentamer. Four stable hybrid decamer conformations including double layer, single layer, block, and part-in were obtained by protein-protein docking software HADDOCK 2.2. Then, MD simulations were used to explore the molecular mechanism of cross-interactions between Aβ pentamer and Tau pentamer. The results of MD simulations showed that the part-in structure was the most stable among all the above four representative ones. The binding energy between Aβ and Tau was about-759.77 kJ·mol-1in the part-in structure. Moreover, the part-in conformation would undergo conformational transition, which would improve its hydrophobicity and make the structure more compact. This work offers a structural understanding of cross-interactions between Aβ and Tau linked to AD.

关键词： Alzheimer’s disease Amyloidβ-protein Tau Cross-interactions Protein-protein docking Molecular dynamics simulation

Budget Allocation for Maximizing Viral Advertising in Social Networks

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Journal of Computer Science & Technology 2016年第4期31卷 759-775页

作者： Bo—LeiZhang Zhu-Zhong Qian Wen-Zhong Li Bin Tang sang-Lu Lu Xiaoming Fu State Key Laboratory for Novel Software Technology Nanjing University Nanjing 210023 China Institute of Computer Science University of G5ttingen G5ttingen 37077 Germany

Viral advertising in social networks has arisen as one of the most promising ways to increase brand awareness and product sales. By distributing a limited budget, we can incentivize a set of users as initial adopters so that the advertising can start from the initial adopters and spread via sociM links to become viral. Despite extensive researches in how to target the most influential users, a key issue is often neglected： how to incentivize the initial adopters. In the problem of influence maximization, the assumption is that each user has a fixed cost for being initial adopters, while in practice, user decisions for accepting the budget to be initial adopters are often probabilistic rather than deterministic. In this paper, we study optimal budget allocation in social networks to maximize the spread of viral advertising. In particular, a concave probability model is introduced to characterize each user＇s utility for being an initial adopter. Under this model, we show that it is NP-hard to find an optimal budget allocation for maximizing the spread of viral advertising. We then present a novel discrete greedy algorithm with near optimal performance, and further propose scaling-up techniques to improve the time-efficiency of our algorithm. Extensive experiments on real-world social graphs are implemented to validate the effectiveness of our algorithm in practice. The results show that our algorithm can outperform other intuitive heuristics significantly in almost all cases.

关键词： social network influence maximization information diffusion submodular optimization

Effects of supports and combined process on hydrogen purification over nickel supported catalysts

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Journal of Rare Earths 2020年第1期38卷 52-58页

作者： Menglan Xiao lu Zhang Yanyan sang Zhiming Gao School of Chemistry and Chemical Engineering Beijing Institute of Technology

Hydrogen purification must be done to meet the different purposes of hydrogen utilization.In the present work,it is confirmed that the catalyst Ni/CeO2 has the highest activity for total methanation(Total MET) of CO and CO2,and is thus most suitable for hydrogen purification for ammonia synthesis.While,the catalyst Ni/ZrO2 appears the best one for selective methanation of CO(CO-SMET) in the H2-rich gas to produce clean fuel for proton exchange membrane fuel cell(PEMFC).In spite of this,the catalyst Ni/ZrO2 without adding chlorine ions as promoter is not yet capable of removing the CO in the reformate gas to below 10 ppm in a wide reaction temperature range by the way of CO-SMET.Adding chlorine ions as promoter is indeed not favorable for practical application due to its gradual loss in the catalytic reaction as proved in our previous work.Therefore,a step to decrease CO2 concentration(called as de-CO2 step) is suggested to be set prior to the CO-SMET step in this work.It is proved that such combination of de-CO2 step and CO-SMET step is efficient to achieve a deep removal of CO to below 10 ppm with a high selectivity more than 50% in a wide reaction temperature range of 220-280℃over the catalyst Ni/ZrO2 without adding chlorine ions as promoter.The combined process has potential for practical application,at least in the large-scale power plant of PEMFC.

关键词： Hydrogen purification Methanation Nickel catalyst Support effect Rare earths

Identification of Potential Zinc Deficiency Responsive Genes and Regulatory Pathways in Rice by Weighted Gene Co-expression Network Analysis

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Rice science 2022年第6期29卷 545-558页

作者： Blaise Pascal MUVUNYI lu Xiang ZHAN Junhui HE sang YE Guoyou CAAS-IRRI Joint Laboratory for Genomics-Assisted Germplasm Enhancement Agricultural Genomics Institute in ShenzhenChinese Academy of Agricultural Sciences(CAAS)Shenzhen 518120China Rice Breeding Innovations Platform International Rice Research Institute(IRRI)Metro Manila 1301the Philippines

Zinc(Zn)malnutrition is a major public health issue.Genetic biofortification of Zn in rice grain can alleviate global Zn malnutrition.Therefore,elucidating the genetic mechanisms regulating Zn deprivation response in rice is essential to identify elite genes useful for breeding high grain Zn rice varieties.Here,a meta-analysis of previous RNA-Seq studies involving Zn deficient conditions was conducted using the weighted gene co-expression network analysis(WGCNA)and other in silico prediction tools to identify modules(denoting cluster of genes with related expression pattern)of co-expressed genes,modular genes which are conserved differentially expressed genes(DEGs)across independent RNA-Seq studies,and the molecular pathways of the conserved modular DEGs.WGCNA identified 16 modules of co-expressed genes.Twenty-eight and five modular DEGs were conserved in leaf and crown,and root tissues across two independent RNA-Seq studies.Functional enrichment analysis showed that 24 of the 28 conserved modular DEGs from leaf and crown tissues significantly up-regulated 2 Kyoto Encyclopedia of Genes and Genomes(KEGG)pathways and 15 Gene Ontology(GO)terms,including the substrate-specific transmembrane transporter and the small molecule metabolic process.Further,the well-studied transcription factors(OsWOX11 and OsbHLH120),protein kinase(OsCDPK20 and OsMPK17),and miRNAs(OSA-MIR397A and OSA-MIR397B)were predicted to target some of the identified conserved modular DEGs.Out of the 24 conserved and up-regulated modular DEGs,19 were yet to be experimentally validated as Zn deficiency responsive genes.Findings from this study provide a comprehensive insight on the molecular mechanisms of Zn deficiency response and may facilitate gene and pathway prioritization for improving Zn use efficiency and Zn biofortification in rice.

关键词： rice biofortification zinc deficiency gene expression weighted gene co-expression network analysis

正畸微小种植体临床用后的表面特征与力学性能（英文）

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2018年第5期19卷 372-382页

作者： lu lu Hyo-sang PARK Department of Orthodontics School of DentistryKyungpook National UniversityDalgubuldaero 2175(Samduk 2-Ga)Jung-GuDaegu 41940Korea

目的:在临床模拟试验条件下,观察正畸微小种植体临床用后的表面特征与力学性能,探讨正畸微小种植体再使用的可行性。创新点:比较了两种回收来源的正畸微小种植体(临床用后回收和植入人工骨后回收)的表面特征与力学性能,同时还考虑了不... 详细信息

目的:在临床模拟试验条件下,观察正畸微小种植体临床用后的表面特征与力学性能,探讨正畸微小种植体再使用的可行性。创新点:比较了两种回收来源的正畸微小种植体(临床用后回收和植入人工骨后回收)的表面特征与力学性能,同时还考虑了不同植入角度的影响。方法:将符合纳入条件的临床用后正畸微小种植体回收,另将新正畸种植体以不同角度植入临床模拟条件下的人工骨并取出回收,分别比较了不同来源正畸微小种植体的表面特征以及力学性能。使用场发射扫描电镜、立体显微镜以及X射线能谱仪评估了正畸微小种植体尖端及螺纹的形态和长度变化,以及表面元素变化等表面特征;并在临床模拟试验条件下测试了最大植入扭矩和植入时间等力学性能(图1)。结论:不同回收来源的正畸微小种植体表现出表面特征以及力学性能的不同变化。临床用后回收的正畸微小种植体尖端及螺纹表现出更多的磨损,其表面附着有一薄层沉积物,最大植入扭矩以及植入时间增大明显。建议正畸微小种植体再使用时,针对同一患者在某些临床条件下可考虑植入后立即取出并以一定角度再植入,但是临床使用过一段时间的正畸种植体尤其是微小种植体不建议再次植入;针对不同患者,临床操作中不建议微小种植体的再次使用。

关键词：正畸微小种植体表面特征力学性能回收分析

论民族古籍的出版赋值与精品打造——以《彝族古歌》出版为例

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贵州民族研究 2023年第5期44卷 134-137页

作者：禄桑贵州民族出版社贵州贵阳550081

少数民族古籍是中华优秀传统文化的重要组成部分,它蕴涵了各民族的文化审美和精神理念。少数民族古籍的出版,对赓续中华文脉、弘扬民族精神、增强国家文化软实力、建设社会主义文化强国有着重要意义。作为从事民族古籍出版的民族出版机... 详细信息

少数民族古籍是中华优秀传统文化的重要组成部分,它蕴涵了各民族的文化审美和精神理念。少数民族古籍的出版,对赓续中华文脉、弘扬民族精神、增强国家文化软实力、建设社会主义文化强国有着重要意义。作为从事民族古籍出版的民族出版机构,须以挖掘、保护、传承、弘扬优秀民族传统文化为己任,把祖国宝贵的文化遗产保护好、传承好、发展好,打造优质民族古籍出版项目。文章以国家出版基金项目《彝族古歌》的出版为例,探讨了出版环节对民族文献的出版赋值以及民族古籍出版精品的打造,以期对民族古籍的进一步挖掘、整理、出版有所启迪。

关键词：彝族古歌出版赋值策划实施精品打造

Accommodating Uncertain Wind Power Investment and Coal-fired Unit Retirement by Robust Energy Storage System Planning

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CSEE Journal of Power and Energy Systems 2022年第5期8卷 1398-1407页

作者： Dundun Liu Shenxi Zhang Haozhong Cheng lu Liu Zheng Wang Da sang Ruijin Zhu Key Laboratory of Control of Power Transmission and Conversion Ministry of EducationShanghai Jiao Tong UniversityShanghai 200240China State Grid East China Branch Shanghai 200002China State Grid Shanghai Municipal Electric Power Company Shanghai 200002China

Increasing wind power integration and coal-fired unit retirements increases the strain on the power system’s spinning reserve and increases the pressure on peak regulation.With the ability to stock extra power generation and supply the peak load,the energy storage system(ESS)can alleviate the rising demand on the spinning reserve and play an increasingly important role in the power system.In this paper,a trilevel robust ESS planning model is proposed to accommodate uncertain wind power investment as well as coal-fired unit retirement.The upper-level of this model is to determine the planning scheme of ESSs,which iteratively takes the worst-case scenario of wind power investment and coal-fired unit retirement into consideration.The middle-level and lower-level of this model are to make the optimal daily economic dispatch under the worst-case realizations of uncertainties.We derive an equivalent reformulation of the proposed robust ESS planning model and solve it with a dual column-and-constraint generation algorithm.Case studies are conducted using the IEEE RTS-79 system.The results demonstrate the superiority of the proposed planning method in comparison with other methods.Furthermore,the effects of the capital cost of ESS,the expected proportion of wind power,and the uncertainty budget on the development of ESS are studied.Taking the uncertainties of unit retirement and wind power investment into consideration achieves a better trade-off between the ESS investment cost and the operational cost.

关键词： Coal-fired unit retirement energy storage system planning robust optimization uncertainty wind power

Electrostatic Structure of the Electron Phase-space Holes Generated by the Electron Two-stream Instability with a Finite Width

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空间科学学报 2017年第5期37卷 517-523页

作者： sang Longlong WU Mingyu lu Quanming CAS Key Laboratory of Geospace Environment School of Earth and Space Sciences University of Science and Technology of China

Space satellite observations in an electron phase-space hole(electron hole) have shown that bipolar structures are discovered at the parallel cut of parallel electric field, while unipolar structures spring from the parallel cut of perpendicular electric field. Particle-in-cell(PIC) simulations have demonstrated that the electron bi-stream instability induces several electron holes during its nonlinear evolution. However, how the unipolar structure of the parallel cut of the perpendicular electric field formed in these electron holes is still an unsolved problem,especially in a strongly magnetized plasma(Ω_e >ω_(pe), where Ω_e is defined as electron gyrofrequency and ω_(pe) is defined as plasma frequency, respectively). In this paper, with two-dimensional(2D) electrostatic PIC simulations, the evolution of the electron two-stream instability with a finite width in strongly magnetized plasma is investigated. Initially, those conditions lead to monochromatic electrostatic waves, and these waves coalesce with each other during their nonlinear evolution. At last, a solitary electrostatic structure is formed. In such an electron hole, a bipolar structure is formed in the parallel cut. of parallel electric field, while a unipolar structure presents in the parallel cut of perpendicular electric field.

关键词： Electron phase-space hole Two-stream instability PIC simulation

COMPETITIVE STRATEGY IN REMANUFACTURING AND THE EFFECTS OF GOVERNMENT SUBSIDY

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Journal of Systems Science and Systems Engineering 2017年第4期26卷 417-432页

作者： lu Xiao Xianjia Wang Kwai-sang Chin Yong Qin School of Economics and Management Wuhan University Wuhan 430072 China Department of Systems Engineering and Engineering Management City University of Hong Kong Xiangyang Sergeant School of Military Economy Academy Xiangyang 441118 China

In this paper, we consider a single-period model comprised of an original manufacturer （OM） who produces only new products and a remanufacturer who collects used products from consumers and produces remanufactured products. The OM and the remanufacturer compete in the product market. We examine the effects of government subsidy as a means to promote remanufacturing activity. In particularly, we consider three subsidy options： subsidy to remanufacturer, subsidy to consumers, and subsidy shared by remanufacturer and consumers. We find that the introduction of government subsidy on remanufacturer or consumers always increases remanufacturing activity. We also find that subsidy to remanufacturer is the best subsidy option, because subsidy to remanufacturer results in lower price of remanufactttred products, thus leading to higher consumer surplus.

关键词： Remanufacturing competitive strategy government subsidy game theory