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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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international Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi Feng Guimin Lu National Engineering Research Center for integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint international Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

Co-production of hydrogen, oxygen, and electricity via an integrated solar-driven system with decoupled water electrolyzer and Na-Zn ion battery

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Journal of Energy Chemistry 2025年第1期100卷 621-627页

作者： Fei Lv Longjie Liu Jiazhe Wu Pengfei Wang Lixia Pan Dengwei Jing Yubin Chen international Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University

Combining water electrolysis and rechargeable battery technologies into a single system holds great promise for the co-production of hydrogen （H2） and ***,the design and development of such systems is still in its ***,an integrated hydrogen-oxygen （O2）-electricity co-production system featuring a bipolar membrane-assisted decoupled electrolyzer and a Na-Zn ion battery was established with sodium nickelhexacyanoferrate （NaNiHCF） and Zn2+/Zn as dual redox *** decoupled electrolyzer enables to produce H2and O2in different time and space with almost 100%Faradaic efficiency at 100 mA ***,the charged NaNiHCF and Zn electrodes after the electrolysis processes formed a Na-Zn ion battery,which can generate electricity with an average cell voltage of 1.75 V at 10 m A *** connecting Si photovoltaics with the modular electrochemical device,a well-matched solar driven system was built to convert the intermittent solar energy into hydrogen and electric energy with a solar to hydrogen-electricity efficiency of 16.7%,demonstrating the flexible storage and conversion of renewables.

关键词： Hydrogen Electricity Decoupled water electrolyzer Na-Zn ion battery Solar energy

Efficient photocatalytic H2 evolution over tubular mesoporous carbon nitride with N-vacancy by microwave-assisted synthesis

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Science China Chemistry 2025年

作者： Yuanlong Pan Qiang Zhang Guangzheng Huang Yannan Luo Honglin Gao School of Materials and Energy National Center for International Research on Photoelectric and Energy MaterialsYunnan University

Modifying the microstructure of photocatalysts while simultaneously introducing vacancies has shown significant potential in enhancing their performance for hydrogen production. Herein, a novel tubular mesoporous carbon nitride（TMCN） with nitrogen vacancies was fabricated using a microwave-assisted synthesis strategy, employing melamine-cyanuric acid supramolecular（MC-S） as the precursor. The optimized TMCN exhibited an outstanding H2production rate, approximately 29 times higher than that of pristine g-C3N4. The N-vacancies serve as sites for reactant adsorption and activation, leading to enhanced delocalization of HOMO-LUMO. Furthermore, the porous structures of TMCN facilitate the reactant diffusion, while its tubular architectures promote the oriented transfer of charge carriers. Crucially, the markedly improved photocatalytic performance of TMCN can be predominantly attributed to the synergistic effects arising from its superior structure and N-vacancy defects. This work opens new possibilities for the simultaneous formation of surface defect states as photocatalytic reaction sites and distinctive structures conducive to charge carrier transport.

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Looking Back and Beyond Sendai:25 Years of international Policy Experience on Disaster Risk Reduction

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international Journal of Disaster Risk Science 2015年第1期6卷 1-7页

作者： Sálvano Briceo Science Committee Integrated Research on Disaster Risk(IRDR) Program of International Council for Science (ICSU)/International Social Science Council (ISSC)/United NationsInternational Strategy for Disaster Reduction (UNISDR)

The evolution in knowledge and application of disaster risk reduction in the 25 years of global cooperation on this issue has been uneven. While advances in knowledge have improved our understanding of the full nature of risk—the combination of hazards meeting vulnerability—the application of such knowledge has not been conducive to the development of institutional and technical mechanisms to address the full range of risk elements. Governance of risk(policies, legislation, and organizational arrangements) still focuses largely on preparing to respond to the hazards and planning for recovery. This leaves largely unattended the vulnerability component of risk, which is the only component on which change can be *** arrangements, risk assessments, early warning systems, and other institutional and technical capacities still concentrate on natural hazards and this is the main change that remains to be substantively addressed.

关键词： Climate change adaptation Disaster risk reduction Risk governance Risk management

Thermoresponsive helical dendronized poly(arylacetylene)s:modulating the dynamic chirality

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Science China Chemistry 2025年

作者： Xueting Lu Lei Wang Liangxuan Ren Wen Li Afang Zhang international Joint Laboratory of Biomimetic&Smart Polymers School of Materials Science and EngineeringShanghai University

Helical poly(arylacetylene)s have formed an intriguing class of polymers,whose chiralities are dynamic and liable to external *** combining dendronized polymer topology with dendritic oligoethylene glycols (OEGs),we here report on synthesis of a homologous series of thermoresponsive dendronized poly(arylacetylene)s with either poly(phenyl acetylene) or poly(naphthalene acetylene) as the backbones,and investigate tunability of their helical *** polymers carry dendritic OEG pendants with either methoxyl-or ethoxyl-terminals to tune their unprecedent thermoresponsive behaviors,and at the same time,dendritic shielding plays an important role in mediating their thermal phase transition *** of these polymers is originated from the chiral alanine or phenylalanine moieties within the dendritic pendants,which can be tailored through manipulating solvation in different organic solvents or via thermal dehydration and collapse in ***,achiral additives such as linear or dendritic OEGs and benzene derivatives can act similarly as thermal dehydration to induce chirality transitions of these polymers in aqueous phase through interplay competitions between the additives and the polymers against their hydration.

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Salsolinol as an RNA m~6A methylation inducer mediates dopaminergic neuronal death by regulating YAP1 and autophagy

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Neural Regeneration Research 2025年第3期20卷 887-899页

作者： Jianan Wang Yuanyuan Ran Zihan Li Tianyuan Zhao Fangfang Zhang Juan Wang Zongjian Liu Xuechai Chen Beijing international Science and Technology Cooperation Base for Antiviral Drugs College of Chemistry and LifeBeijing University of TechnologyBeijingChina Department of Rehabilitation Beijing Rehabilitation HospitalCapital Medical UniversityBeijingChina

Salsolinol(1-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline,Sal)is a catechol isoquinoline that causes neurotoxicity and shares structural similarity with 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine,an environmental toxin that causes Parkinson's ***,the mechanism by which Sal mediates dopaminergic neuronal death remains *** this study,we found that Sal significantly enhanced the global level of N~6-methyladenosine(m~6A)RNA methylation in PC12 cells,mainly by inducing the downregulation of the expression of m~6A demethylases fat mass and obesity-associated protein(FTO)and alk B homolog 5(ALKBH5).RNA sequencing analysis showed that Sal downregulated the Hippo signaling *** m~6A reader YTH domain-containing family protein 2(YTHDF2)promoted the degradation of m~6A-containing Yes-associated protein 1(YAP1)mRNA,which is a downstream key effector in the Hippo signaling ***,downregulation of YAP1 promoted autophagy,indicating that the mutual regulation between YAP1 and autophagy can lead to *** findings reveal the role of Sal on m~6A RNA methylation and suggest that Sal may act as an RNA methylation inducer mediating dopaminergic neuronal death through YAP1 and *** results provide greater insights into the neurotoxic effects of catechol isoquinolines compared with other studies and may be a reference for assessing the involvement of RNA methylation in the pathogenesis of Parkinson's disease.

关键词： ALKBH5 autophagy FTO Hippo pathway m~6A Parkinson's disease RNA methylation salsolinol YAP1 YTHDF2

Recent development in electrode design for wide-temperature supercapacitors

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Science China Chemistry 2025年第1期 96-117页

作者： Jianhong Liu Qiang Zhou Yuxiao Lin Xinsheng Zhao Guangmin Zhou Xiaoxiao Li School of Physics and Electronic Engineering Jiangsu Normal University Tsinghua-Berkeley Shenzhen Institute & Tsinghua Shenzhen international Graduate School Tsinghua University

An ever-increasing market demand has stimulated the soaring enthusiasm of researchers to develop wide-temperature supercapacitors(SCs). The active electrode is one of the most important parts of SC, which is directly related to the energy density,power transmission and long-term cyclability of the device in the wide-temperature environment. Compared with the SC electrodes aimed for room-temperature application, the SC electrodes for operating at wide-temperature scene often face greater challenges. In this review, the main challenges of SC electrodes under various temperature conditions, including low, high and cross-fade temperatures, are summarized. The relevant performance decay and failure mechanisms of wide-temperature SC electrodes are analyzed. In addition, this review deals with the recent studies and developments in robust wide-temperature SC electrodes with respect to the rational design of electrode structures and the exploitation of advanced active materials. Finally, the future directions for exploring reliable wide-temperature SCs are also proposed.

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Two paths, one goal: mechanism of calcium homeostasis to balance plant growth and immunity

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Science China Life Sciences 2025年第1期 306-308页

作者： Aziz Ul Ikram Yanping Jing Huan Chen Jian Chen international Genome Center Jiangsu University Joint Center for Single Cell Biology School of Agriculture and BiologyShanghai Jiao Tong University

Calcium(Ca2+) is an essential nutrient and a cellular signal in plants. The level of free Ca2+in the apoplast is ～10,000-fold higher than that in the cytoplasm at the resting state. This large Ca2+level gradient across the membrane between the interior and exterior can cause Ca2+overload and toxicity. Plants have evolved mechanisms to export Ca2+out of the cytoplasm or store it in intracellular organelles, such as endoplasmic reticulum（ER）, mitochondria, and vacuole.

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The dopaminergic system and Alzheimer's disease

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Neural Regeneration Research 2025年第9期20卷 2495-2512页

作者： Yuhan Zhang Yuan Liang Yixue Gu international Medical College Chongqing Medical UniversityChongqingChina College of Pharmacy Chongqing Medical UniversityChongqingChina Department of Neurology The First Affiliated Hospital of Chongqing Medical UniversityChongqing Key Laboratory of NeurologyChongqingChina

Alzheimer's disease is a common neurodegenerative disorder in older *** its prevalence,its pathogenesis remains unclea *** addition to the most widely accepted causes,which in clude excessive amyloid-beta aggregation,tau hyperphosphorylation,and deficiency of the neurotransmitter acetylcholine,numerous studies have shown that the dopaminergic system is also closely associated with the occurrence and development of this *** is a crucial catecholaminergic neurotransmitter in the human ***-associated treatments,such as drugs that target dopamine receptor D and dopamine analogs,can improve cognitive function and alleviate psychiatric symptoms as well as ameliorate other clinical *** r,therapeutics targeting the dopaminergic system are associated with various adverse reactions,such as addiction and exacerbation of cognitive *** review summarizes the role of the dopaminergic system in the pathology of Alzheimer's disease,focusing on currently available dopamine-based therapies for this disorder and the common side effects associated with dopamine-related *** aim of this review is to provide insights into the potential connections between the dopaminergic system and Alzheimer's disease,thus helping to clarify the mechanisms underlying the condition and exploring more effective therapeutic options.

关键词： adverse drug reaction Alzheimer's disease catecholamine dopamine receptor dopamine receptor heterodimers dopaminergic system neurodegenerative disease neurotransmitter signaling pathways traditional Chinese medicine treatment