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Temperature dependent Grüneisen parameter

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Science China(Technological Sciences) 2019年第9期62卷 1565-1576页

作者： ZHANG xun sun Sheng XU Tao ZHANG TongYi Materials Genome Institute Shanghai University

Grüneisen parameter is one of the most valuable quantities in thermodynamics, which links the material properties of bulk modulus, heat capacity at constant volume, thermal expansion coefficient, and volume together. A new thermodynamic model of temperature-dependent potential energy is proposed here to investigate the temperature dependent Grüneisen parameter of bulk material. The newly developed thermodynamic model leads to temperature dependent analytical solutions of Grüneisen parameter and other thermo-mechanical properties including the Grüneisen equation of state. Molecular dynamics simulations are conducted on single crystalline Ni, Cu, and Au bulk crystals and the simulation results verify the newly developed thermodynamic model and quantitively evaluate the theoretically derived physical quantities. In addition, the Debye model is also employed in the study of temperature dependent Grüneisen parameter and the results also verify the theoretical approach.

关键词： thermo-mechanical properties Grüneisen parameter thermodynamic model temperature-dependent potential energy molecular dynamics simulations

Visualization of the protective role of estrogen against female liver fibrosis via an ER viscosity NIR fluorescent probe

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Science China Chemistry 2025年第1期68卷 360-368页

作者： Zheng Liu Changyu Zhang Zipeng Li Wanying Ma Jia Liu Xiang Xia Ning Xu Wen sun Jianjun Du Jiangli Fan xiaojun Peng State Key Laboratory of Fine Chemicals Dalian University of Technology Ningbo Institute of Dalian University of Technology

Endoplasmic reticulum(ER) viscosity has emerged as a new potential biomarker for hepatic fibrosis(HF). Herein, we report the first ER-targeting viscosity-responsive near-infrared(NIR) fluorescent probe HBT-PP for investigations of HF *** twisted intramolecular charge transfer(TICT) and the excited state intramolecular proton transfer(ESIPT) are combined to endow HBT-PP with the selective response towards viscosity(～62-fold) and a super large stokes shift(～320 nm). HBT-PP mainly targets organelle ER and is able to image the drug-or alcohol-induced viscosity elevation in living cells. Significantly,HBT-PP was successfully applied to visualize the gender difference in HF and the protective role of estrogen in restraining HF progression. Of note, after 10 min of stain with HBT-PP, HF lesions showed a stage-based response, indicating the potential of this probe in fast and early diagnosis of HF. These results clearly demonstrated the promising application of HBT-PP as a new tool for exploring ER viscosity-involved physiological and pathological processes.

关键词： NIR fluorescent probe ER viscosity hepatic fibrosis gender difference estrogen

Dynamic modeling of a three-dimensional braided composite thin plate considering braiding directions

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 123-138页

作者： Chentong GAO Huiyu sun Jianping GU W.M.HUANG College of Aerospace Engineering Nanjing University of Aeronautics and Astronautics School of Mechanical and Aerospace Engineering Nanyang Technological University Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology School of Materials Science and EngineeringNanjing Institute of Technology

Currently, there are a limited number of dynamic models available for braided composite plates with large overall motions, despite the incorporation of three-dimensional(3D) braided composites into rotating blade components. In this paper, a dynamic model of 3D 4-directional braided composite thin plates considering braiding directions is established. Based on Kirchhoff's plate assumptions, the displacement variables of the plate are expressed. By incorporating the braiding directions into the constitutive equation of the braided composites, the dynamic model of the plate considering braiding directions is obtained. The effects of the speeds, braiding directions, and braided angles on the responses of the plate with fixed-axis rotation and translational motion, respectively, are investigated. This paper presents a dynamic theory for calculating the deformation of 3D braided composite structures undergoing both translational and rotational motions. It also provides a simulation method for investigating the dynamic behavior of non-isotropic material plates in various applications.

关键词： Constitutive equations

Experimental research and finite element analysis of bridge piers failed in flexure-shear modes

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Earthquake Engineering and Engineering Vibration 2008年第4期7卷 403-414页

作者： sun Zhiguo Si Bingjun Wang Dongsheng Guo xun Institute of Road and Bridge Engineering Dalian Maritime University Dalian 116026 China School of Civil ＆ Hydraulic Engineering Dalian University of Technology Dalian 116024 China Institute of Engineering Mechanics China Earthquake Administration Harbin 150080 China

In recent earthquakes, a large number of reinforced concrete （RC） bridges were severely damaged due to mixed flexure-shear failure modes of the bridge piers. An integrated experimental and finite element （FE） analysis study is described in this paper to study the seismic performance of the bridge piers that failed in flexure-shear modes. In the first part, a nonlinear cyclic loading test on six RC bridge piers with circular cross sections is carried out experimentally. The damage states, ductility and energy dissipation parameters, stiffness degradation and shear strength of the piers are studied and compared with each other. The experimental results suggest that all the piers exhibit stable flexural response at displacement ductilities up to four before exhibiting brittle shear failure. The ultimate performance of the piers is dominated by shear capacity due to significant shear cracking, and in some cases, rupturing of spiral bars. In the second part, modeling approaches describing the hysteretic behavior of the piers are investigated by using ANSYS software. A set of models with different parameters is selected and evaluated through comparison with experimental results. The influences of the shear retention coefficients between concrete cracks, the Bauschinger effect in longitudinal reinforcement, the bond-slip relationship between the longitudinal reinforcement and the concrete and the concrete failure surface on the simulated hysteretic curves are discussed. Then, a modified analysis model is presented and its accuracy is verified by comparing the simulated results with experimental ones. This research uses models available in commercial FE codes and is intended for researchers and engineers interested in using ANSYS software to predict the hysteretic behavior of reinforced concrete structures.

关键词： RC bridge piers flexure-shear failure seismic behavior finite element ANSYS software

Buried interface bridging for inverted cesium-formamidinium triiodide perovskite solar cells with long operational stability

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Science China Chemistry 2025年第1期68卷 163-173页

作者： Chenhui Zhang Chunjun Liang Fulin sun Ting Zhu Xinghai Huang Yuzhu Guo Xinyu Guo Kunyang Ge Dan Li Fangtian You Zhiqun He Key Laboratory of Luminescence and Optical Information Ministry of Education Institute of Optoelectronic TechnologyBeijing Jiaotong University Department of Physics School of Physical Science and Engineering Beijing Jiaotong University

In the field of perovskite solar cells(PSCs), the research on defects in the buried interface has been relatively limited due to its non-exposure; however, this interface significantly impacts the performance enhancement of inverted PSCs. This study employs phenylethylammonium chloride(PEACl) molecules as a buffer layer to modify the buried interface of p-i-n structured PSCs,aiming to enhance the uniformity of self-assembled monolayers(SAMs) and facilitate the uniform nucleation and growth of perovskite films on the substrate. Furthermore, the introduction of the PEACl buffer layer effectively passivates defects at the bottom of the perovskite layer and notably enhances the crystal quality of the perovskite film by mitigating residual stress,thereby reducing nonradiative recombination loss. Following these optimizations, the MA-free PSCs treated with PEACl achieve a power conversion efficiency(PCE) of 24.11%, with significant improvements in storage, thermal stability, and operational stability. Particularly noteworthy is the device's performance in an unencapsulated state, whereas after 1,500 hours of continuous light operation stability testing, it retains 97% of its original efficiency. This study not only enriches the systematic understanding of the characteristics of the buried interface in PSCs but also contributes significantly to advancing the commercial production of perovskite photovoltaic technology.

关键词： defect-induced recombination buried interfaces inverted perovskite solar cells crystallization lattice mismatch

Smaller, faster, lower-power analog RRAM matrix computing circuits without performance compromise

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Science China(Information Sciences) 2025年

作者： Yubiao LUO Pushen ZUO Shiqing WANG Zhong sun Ru HUANG School of Integrated Circuits Peking University Institute for Artificial Intelligence Peking University Beijing Advanced Innovation Center for Integrated Circuits

Recently, the analog matrix computing (AMC) concept has been proposed for fast, efficient matrix operations, by configuring global feedback loops with crosspoint resistive memory arrays and operational amplifiers (OAs). The implementation of a general real-valued matrix (containing both positive and negative elements) is enabled by using a set of analog inverters,which, however, is considered inefficient regarding circuit compactness, power consumption, and temporal response. Here, with the assistance of the conductance compensation (CC) strategy to take full advantage of the inherent differential inputs of OAs,new AMC circuits without analog inverters are designed. Such a design saves the area occupation and power dissipation of analog inverters, and thus turns to be smaller and lower-power. Simulation results reveal that the new circuit also shows a faster response towards the steady state, thanks to the reduction of poles in the circuit, which, again, is contributed by the elimination of analog inverters. Along with all of these benefits, extensive simulations demonstrate that the CC-AMC circuits do not compromise the computing performance in terms of relative error caused by various non-ideal factors in the circuit.

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Homologous CoS2 interface with directed electron transfer and strong chloridion repulsion for efficient seawater oxidation

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Science China Chemistry 2025年

作者： Yuan Tian Jiang-Bo Chen Jie Ying Ge Tian Yu-Xuan xiao Yi Lu Si-Ming Wu Wei Geng Ling Shen xiao-Yu Yang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and School of Materials Science and Engineering and Shenzhen Research Institute & Laoshan Laboratory Wuhan University of Technology School of Chemical Engineering and Technology Sun Yat-Sen University National Energy Key Laboratory for New Hydrogen-Ammonia Energy Technologies Foshan Xianhu Laboratory

Seawater electrolysis is a highly promising method to produce high energy density hydrogen,especially in dry areas that have scarce freshwater ***,application of seawater electrolysis is confronted by two major problems associated with catalysts employed for the anodic oxygen evolution reaction （OER） including the competitive hypochlorite evolution reaction（HCER） and strong chloridion （Cl–） triggered *** studies aimed at overcoming these problems,a facile method has been developed to synthesize a homologous CoS2heterojunction as an OER *** to a difference in work functions at the interface and increased electron density,this material has directed electron transfer and strong chloridion repulsion properties,*** have shown that CoS2achieves low overpotentials of 289 and 322 mV at 10 mA cm-2current density in respective alkaline （1 M KOH） and alkaline simulated seawater ***,the outstanding stability of CoS2is reflected in a negligible decline in activity during promotion of the OER for 100 *** of density functional theory calculations reveal that the homologous CoS2heterojunction promotes directed electron transport for optimizing adsorption/desorption of reactive species and heightens the Cl-adsorption energy for strongly repulsing Cl-,phenomena that enhance OER performance in alkaline simulated seawater.

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The interaction between KIF21A and KANK1 regulates dendritic morphology and synapse plasticity in neurons

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Neural Regeneration Research 2025年第1期20卷 209-223页

作者： Shi-Yan sun Lingyun Nie Jing Zhang Xue Fang Hongmei Luo Chuanhai Fu Zhiyi Wei Ai-Hui Tang Hefei National Research Center for Physical Sciences at the Microscale CAS Key Laboratory of Brain Function and DiseaseMinistry of Education Key Laboratory for Membrane-less Organelles and Cellular DynamicsDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefeiAnhui ProvinceChina Institute of Artificial Intelligence Hefei Comprehensive National Science CenterHefeiAnhui ProvinceChina CAS Center for Excellence in Molecular Cell Sciences Division of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefeiAnhui ProvinceChina Department of Neurobiology School of Life SciencesSouthern University of Science and TechnologyShenzhenGuangdong ProvinceChina Brain Research Center Southern University of Science and TechnologyShenzhenGuangdong ProvinceChina

Morphological alterations in dendritic spines have been linked to changes in functional communication between neurons that affect learning and ***-4 KIF21A helps organize the microtubule-actin network at the cell cortex by interacting with KANK1;however,whether KIF21A modulates dendritic structure and function in neurons remains *** this study,we found that KIF21A was distributed in a subset of dendritic spines,and that these KIF21A-positive spines were larger and more structurally plastic than KIF21A-negative ***,the interaction between KIF21A and KANK1 was found to be critical for dendritic spine morphogenesis and synaptic *** of either KIF21A or KANK1 inhibited dendritic spine morphogenesis and dendritic branching,and these deficits were fully rescued by coexpressing full-length KIF21A or KANK1,but not by proteins with mutations disrupting direct binding between KIF21A and KANK1 or binding between KANK1 and *** down KIF21A in the hippocampus of rats inhibited the amplitudes of long-term potentiation induced by high-frequency stimulation and negatively impacted the animals’cognitive *** together,our findings demonstrate the function of KIF21A in modulating spine morphology and provide insight into its role in synaptic function.

关键词： actin cytoskeleton dendrite KANK1 KIF21A microtubule spine morphology spine synaptic plasticity talin1

Neuroprotective potential for mitigating ischemia-reperfusion-induced damage

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Neural Regeneration Research 2025年第8期20卷 2199-2217页

作者： Zi Ye Runqing Liu Hangxing Wang Aizhen Zuo Cen Jin Nan Wang Huiqi sun Luqian Feng Hua Yang The Clinical Medical College Guizhou Medical UniversityGuiyangGuizhou ProvinceChina Division of Infectious Diseases Department of Internal MedicinePeking Union Medical College HospitalChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijingChina School of Medical Imaging Guizhou Medical UniversityGuiyangGuizhou ProvinceChina Division of Gastroenterology First Affiliated Hospital of Zhengzhou UniversityZhengzhouHenan ProvinceChina The Second Clinical Medical College Lanzhou UniversityLanzhouGansu ProvinceChina Department of Neurosurgery Affiliated Hospital of Guizhou Medical UniversityGuiyangGuizhou ProvinceChina

Reperfusion following cerebral ischemia causes both structural and functional damage to brain tissue and could aggravate a patient's condition;this phenomenon is known as cerebral ischemia-reperfusion *** studies have elucidated the neuroprotective role of the sirtuin protein family(Sirtuins)in modulating cerebral ischemia-reperfusion ***,the potential of utilizing it as a novel intervention target to influence the prognosis of cerebral ischemia-reperfusion injury requires additional *** this review,the origin and research progress of Sirtuins are summarized,suggesting the involvement of Sirtuins in diverse mechanisms that affect cerebral ischemia-reperfusion injury,including inflammation,oxidative stress,blood-brain barrier damage,apoptosis,pyroptosis,and *** therapeutic avenues related to Sirtuins that may improve the prognosis of cerebral ischemia-reperfusion injury were also investigated by modulating Sirtuins expression and affecting representative pathways,such as nuclear factor-kappa B signaling,oxidative stress mediated by adenosine monophosphate-activated protein kinase,and the forkhead box *** review also summarizes the potential of endogenous substances,such as RNA and hormones,drugs,dietary supplements,and emerging therapies that regulate Sirtuins *** review also reveals that regulating Sirtuins mitigates cerebral ischemia-reperfusion injury when combined with other risk *** Sirtuins show promise as a potential target for the treatment of cerebral ischemiareperfusion injury,most recent studies are based on rodent models with circadian rhythms that are distinct from those of humans,potentially influencing the efficacy of Sirtuinstargeting drug ***,this review provides new insights into the role of Sirtuins in the pathology and treatment of cerebral ischemia-reperfusion injury.

关键词： apoptosis autophagy blood-brain barrier dietary supplements drug hormones inflammation neuroprotection oxidative stress prognosis pyroptosis reperfusion injury risk factors RNA therapeutics