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Optimized third-order force-gradient symplectic algorithms

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Science China(Physics,Mechanics & Astronomy) 2010年第9期53卷 1600-1609页

作者： li rong & wu Xin School of Science,nanchang university,nanchang 330031,China School of Science Nanchang University Nanchang China

With the natural splitting of a Hamiltonian system into kinetic energy and potential energy,we construct two new optimal thirdorder force-gradient symplectic algorithms in each of which the norm of fourth-order truncation errors is *** are both not explicitly superior to their no-optimal counterparts in the numerical stability and the topology structure-preserving,but they are in the accuracy of energy on classical problems and in one of the energy eigenvalues for one-dimensional time-independent Schrdinger *** particular,they are much better than the optimal third-order non-gradient symplectic *** also have an advantage over the fourth-order non-gradient symplectic integrator.

关键词： symplectic integrators symplectic scheme-shooting method celestial mechanics time-independent Schrdinger equation energy eigenvalues numerical stability bisection method topological structure

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The complex effects of miR-146a in the pathogenesis of Alzheimer's disease

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Neural Regeneration Research 2025年第5期20卷 1309-1323页

作者： Yunfan long Jiajia liu Yu Wang Haidong guo guohong Cui Department of Neurology Shanghai No.9 People’s HospitalShanghai Jiaotong University School of MedicineShanghaiChina Academy of Integrative Medicine Shanghai University of Traditional Chinese MedicineShanghaiChina School of Integrative Medicine Shanghai University of Traditional Chinese MedicineShanghaiChina Department of Neurology Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese MedicineShanghaiChina

Alzheimer's disease is a neurodegenerative disorder characterized by cognitive dysfunction and behavioral *** plaques formed through the extracellular deposition of amyloid-βproteins,as well as neurofibrillary tangles formed by the intracellular deposition of hyperphosphorylated tau proteins,comprise two typical pathological features of Alzheimer's *** symptomatic treatment,there are no effective therapies for delaying Alzheimer's disease ***(miR)are small,non-coding RNAs that negatively regulate gene expression at the transcriptional and translational levels and play important roles in multiple physiological and pathological ***,miR-146a,a NF-κB-regulated gene,has been extensively implicated in the development of Alzheimer's disease through several *** has demonstrated substantial dysregulation of miR-146a both during the initial phases and throughout the progression of this *** R-146a is believed to reduce amyloid-βdeposition and tau protein hyperphosphorylation through the TLR/IRAK1/TRAF6 pathway;however,there is also evidence supporting that it can promote these processes through many other pathways,thus exacerbating the pathological manifestations of Alzheimer's *** has been widely reported that miR-146a mediates synaptic dysfunction,mitochondrial dysfunction,and neuronal death by targeting m RNAs encoding synapticrelated proteins,mitochondrial-related proteins,and membrane proteins,as well as other *** the impact on glial cells,miR-146a also exhibits differential *** one hand,it causes widespread and sustained inflammation through certain pathways,while on the other hand,it can reverse the polarization of astrocytes and microglia,alleviate neuroinflammation,and promote oligodendrocyte progenitor cell differentiation,thus maintaining the normal function of the myelin sheath and exerting a protective effect on *** this review,we provide a

关键词： Alzheimer's disease amyloid-β glial cells microRNAs miR-146a neuroinflammatory

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Regulating crystallization and retarding oxidation in Sn-Pb perovskite via 1D cation engineering for high performance all-perovskite tandem solar cells

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Journal of Energy Chemistry 2025年第1期100卷 646-652页

作者： Ranran liu Xin Zheng Zaiwei Wang Miaomiao Zeng Chunxiang Lan Shaomin Yang Shangzhi li Awen Wang Min li Jing guo Xuefei Weng Yaoguang rong Xiong li Michael Gr?tzel Center for Mesoscopic Solar Cells Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences School of Physics and Optoelectronic Engineering Hainan University Suzhou Institute of Nano-Tech and Nano-Bionics (SINANO) Chinese Academy of Sciences School of Chemistry Chemical Engineering and Life Sciences State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

All-perovskite tandem solar cells have the potential to surpass the theoretical efficiency limit of single junction solar cells by reducing thermalization ***,the challenges encompass the oxidation of Sn2+to Sn4+and uncontrolled crystallization kinetics in Sn-Pb perovskites,leading to nonradiative recombination and compositional heterogeneity to decrease photovoltaic efficiency and operational ***,we introduced an ionic liquid additive,1-ethyl-3-methylimidazolium iodide （EMIMI） into Sn-Pb perovskite precursor to form low-dimensional Sn-rich/pure-Sn perovskites at grain boundaries,which mitigates oxidation of Sn2+to Sn4+and regulates the film-forming dynamics of Sn/Pb-based perovskite *** optimized single-junction Sn-Pb perovskite devices incorporating EMIMI achieved a high efficiency of 22.87%.Furthermore,combined with wide-bandgap perovskite sub-cells in tandem device,we demonstrate 2-terminal all-perovskite tandem solar cells with a power conversion efficiency of 28.34%,achieving improved operational stability.

关键词： All-perovskite tandem solar cells Sn-Pb perovskite 1D Regulated crystallization Antioxidation

Emerging trends in the selective production of value-added aromatics

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Science China Chemistry 2025年第1期68卷 15-20页

作者： Yuchao wu Houliang Dai Weisheng Yang Yaxing li lichen liu Petrochemical Research Institute Company limited China National Petroleum Corporation Engineering Research Center of Advanced Rare Earth Materials Department of Chemistry Tsinghua University

1 Introduction Aromatics (mainly benzene, toluene, and xylenes, BTX) are essential intermediates in the chemical industry. They are employed in the synthesis of a broad spectrum of chemicals and materials, e.g., various polymers, plastics, resins, solvents, dyes, pharmaceuticals [1]. The manufacturing pathway of BTX mainly includes petroleum reforming of naphtha, coal-to-aromatics, methanol-to-aromatics [2].

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Direct and rapid detection of serum amino acid and monoamine neurotransmitters to assist the diagnosis of panic disorder

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Science China Chemistry 2025年第1期68卷 377-384页

作者： Shiwen liu Xuerui Wan Meng Zhao Jiaqi Wang Weilan wu linlin You Yonggui Yuan Qian Xu rong Gao Key Laboratory of Environmental Medicine Engineering Ministry of Education School of Public Health Southeast University Key Laboratory of Modern Toxicology of Ministry of Education Department of Hygienic Analysis and Detection School of Public HealthNanjing Medical University Department of Psychosomatics and Psychiatry Zhongda Hospital School of Medicine Southeast University

The measurement of amino acid and monoamine neurotransmitters（NTs） in serum plays a central role in the identification and monitoring of clinical panic disorder（PD）. However, the strong polarity and chemical heterogeneity of NTs make direct extraction and rapid detection extremely challenging. Herein, we developed a strategy that integrated solid phase extraction based on magnetic Fe3O4coated with polydopamine（Fe3O4@PDA） and direct analysis of mass spectrometry in real time（DART-MS） for quantification of 10 NTs. We systematically investigated the optimal conditions of this strategy to achieve good accuracy and precision. Compared with existing magnetic solid phase extraction methods for NTs detection in biological samples, this strategy could adsorb more targets while having similar adsorption efficiencies, and the total process time was reduced by an average of 69.42%. We rapidly determined the metabolic abnormality of 6 types of NTs in the serum of PD patients and demonstrated their diagnostic accuracy. In addition, an outstanding feature of PD in which tryptophan was more metabolized by the KYN pathway and the 5-hydroxytryptamine pathway was inhibited could be elucidated by this strategy. Our results highlighted the potential ability of Fe3O4@PDA coupled with DART-MS to assist in the clinical diagnosis of PD.

关键词： neurotransmitters panic disorder magnetic solid phase extraction direct analysis of mass spectrometry in real time

Inhibiting ceramide synthase 5 expression in microglia decreases neuroinflammation after spinal cord injury

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Neural Regeneration Research 2025年第10期20卷 2955-2968页

作者： Wei Zhang Yubao Lu Ruoqi Shen Yingjie wu Chenrui liu Xingxing Fang liangming Zhang Bin liu limin rong Department of Spine Surgery The Third Affiliated HospitalSun Yat-sen UniversityGuangzhouGuangdong ProvinceChina National Medical Products Administration(NMPA)Key Laboratory for Quality Research and Evaluation of Cell Products GuangzhouGuangdong ProvinceChina Guangdong Provincial Center for Quality Control of Minimally Invasive Spine Surgery GuangzhouGuangdong ProvinceChina Guangdong Provincial Center for Engineering and Technology Research of Minimally Invasive Spine Surgery GuangzhouGuangdong ProvinceChina

Microglia,the resident monocyte of the central nervous system,play a crucial role in the response to spinal cord ***,the precise mechanism remains *** investigate the molecular mechanisms by which microglia regulate the neuroinflammatory response to spinal cord injury,we performed single-cell RNA sequencing dataset analysis,focusing on changes in microglial *** found that the MG1 subpopulation emerged in the acute/subacute phase of spinal cord injury and expressed genes related to cell pyroptosis,sphingomyelin metabolism,and neuroinflammation at high ***,we established a mouse model of contusive injury and performed intrathecal injection of siRNA and molecular inhibitors to validate the role of ceramide synthase 5 in the neuroinflammatory responses and pyroptosis after spinal cord ***,we established a PC12-BV2 cell co-culture system and found that ceramide synthase 5 and pyroptosis-associated proteins were highly expressed to induce the apoptosis of neuron *** ceramide synthase 5 expression in a mouse model of spinal cord injury effectively reduced ***,ceramide synthase 5-induced pyroptosis was dependent on activation of the NLRP3 signaling *** ceramide synthase 5 expression in microglia in vivo reduced neuronal apoptosis and promoted recovery of neurological ***2g7 formed a“bridge”between sphingolipid metabolism and ceramide synthase 5-mediated cell death by inhibiting the NLRP3 signaling ***,these findings suggest that inhibiting ceramide synthase 5 expression in microglia after spinal cord injury effectively suppressed microglial pyroptosis mediated by NLRP3,thereby exerting neuroprotective effects.

关键词： ceramide synthase 5 gasdermin D microglia neuroinflammation NLRP3 nuclear factor kappa B Pla2g7 pyroptosis sphingomyelin metabolism spinal cord injury

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Boosting cationic and anionic redox activity of li-rich layered oxide cathodes via li/Ni disordered regulation

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Journal of Energy Chemistry 2025年第1期100卷 533-543页

作者： Zewen liu Zhen wu Hao Wang Xudong Zhang Yuanzhen Chen Yongning liu Shengwu guo Shenghua Chen Yanli Nan Yan liu State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University School of Materials Science and Engineering Xi'an University of Architecture and Technology Hefei Advanced Computing Center Operation Management Corp Ltd Network Information Center Xi'an Jiaotong University

lithium-rich layered oxides （LLOs） are increasingly recognized as promising cathode materials for nextgeneration high-energy-density lithium-ion batteries （liBs）.However,they suffer from voltage decay and low initial Coulombic efficiency （ICE） due to severe structural degradation caused by irreversible O ***,we introduce a three-in-one strategy of increasing Ni and Mn content,along with li/Ni disordering and TM–O covalency regulation to boost cationic and anionic redox activity simultaneously and thus enhance the electrochemical activity of *** target material,li1.2Ni0.168Mn0.558Co0.074O2（L1）,exhibits an improved ICE of 87.2%and specific capacity of 293.2 mA h g-1and minimal voltage decay of less than 0.53 m V cycle-1over 300 cycles at 1C,compared to li1.2Ni0.13Mn0.54Co0.13O2（Ls）(274.4 mA h g-1for initial capacity,73.8%for ICE and voltage decay of 0.84 mV/cycle over 300 cycles at 1C).Theoretical calculations reveal that the density of states （DOS） area near the Fermi energy level for L1 is larger than that of Ls,indicating higher anionic and cationic redox reactivity than ***,L1 exhibits increased O-vacancy formation energy due to higher li/Ni disordering of 4.76%（quantified by X-ray diffraction Rietveld refinement） and enhanced TM–O covalency,making lattice O release more difficult and thus improving electrochemical *** increased li/Ni disordering also leads to more Ni2+presence in the li layer,which acts as a pillar during li+de-embedding,improving structural *** research not only presents a viable approach to designing low-Co LLOs with enhanced capacity and ICE but also contributes significantly to the fundamental understanding of structural regulation in high-performance liB cathodes.

关键词： Ice

Ni-catalyzed cross-electrophile alkyl-alkyl coupling reactions

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Science China Chemistry 2025年

作者： li-Xu You Lan Tian Chun-ling guo Shun-Xi li Yu-Cheng liu Yu-long li Wei Shu College of Chemistry and Environmental Engineering Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan Sichuan University of Science and Engineering Guangming Advanced Research Institute Shenzhen Grubbs Institute Department of Chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and Technology

Introducing saturated carbon-carbon bonds into organic molecules significantly increases the three-dimensional configuration,thus altering the physical and chemical properties as well as the functions of molecules. Transition-metal-catalyzed carboncarbon cross-couplings represent one of the most straightforward, efficient and modular alternatives to build saturation in a single step. However, the efficient construction of alkyl-alkyl bonds remains a formidable challenge due to the precise manipulation of multiple alkyl metallic intermediates as well as associated competitive side reactions and selectivity control. Over the past years, Ni-catalyzed cross-coupling under reductive conditions has gained more and more attention for alkyl-alkyl crosscoupling partially attributing to the low-valent state of metal centers under reducing conditions, which suppresses the competitive β-hydride elimination process, thus facilitating the formation of alkyl-alkyl bonds. In this review, the initiative and progress of Ni-catalyzed cross-electrophile alkyl-alkyl cross-coupling, including the efforts in racemic and enantioselective formation of alkyl-alkyl bonds, have been summarized and discussed. Moreover, the challenges and further opportunities in this area have also been discussed.

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Dispatchable Capability of Aggregated Electric Vehicle Charging in Distribution Systems

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Energy Engineering 2025年第1期122卷 129-152页

作者： ShiqianWang Bo liu Yuanpeng Hua Qiuyan li Binhua Tang Jianshu Zhou yue Xiang Economic and Technology Research Institute State Grid Henan Electric Power CompanyZhengzhou450052China College of Electrical Engineering Sichuan UniversityChengdu610065China

This paper introduces a method for modeling the entire aggregated electric vehicle(EV)charging process and analyzing its dispatchable *** methodology involves developing a model for aggregated EV charging at the charging station level,estimating its physical dispatchable capability,determining its economic dispatchable capability under economic incentives,modeling its participation in the grid,and investigating the effects of different scenarios and EV penetration on the aggregated load dispatch and dispatchable *** results indicate that using economic dispatchable capability reduces charging prices by 9.7%compared to physical dispatchable capability and 9.3%compared to disorderly ***,the peak-to-valley difference is reduced by 64.6%when applying economic dispatchable capability with 20%EV penetration and residential base load,compared to disorderly charging.

关键词： Aggregated charging dispatchable capability peak shaving and valley filling the economics of charging demand response