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Visualizing charge transfer and nuclear quantum effects in the hydrogen bond network of water

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Science China Chemistry 2025年第03期 810-811页

作者： Ying gao Haotian wang Bin Zhang Department of Chemistry School of ScienceTianjin University

Water,one of the most common and important solvents on earth,is widely used in biology,physics,chemistry,and other fields [1].The hydrogen bond interactions between water molecules form a highly dynamic and synergistic network[2],which plays a key role in the properties of *** electron charge transfer and nuclear quantum effect(NQE)are important factors affecting the stability and structure of hydrogen bond networks [3],directly influencing water-involved biological and chemical processes.

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Decoupling the roles of grain boundary strength and grain size hidden in grain-level electro-chemo-mechanical failure of solid-state electrolyte

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Journal of Energy Chemistry 2025年第2期101卷 685-691页

作者： Ming Xu Xuyang wang Zhengqian Jin Xingxing Jiao Ya gao Zhongxiao Song Xieyu Xu Kai Xi Yangyang Liu School of Chemistry Engineering Research Center of Energy Storage Materials and Devices Ministry of Education Xi'an Jiaotong University State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Research Institute of Frontier Science Southwest Jiaotong University School of Instrument Science and Technology Xi'an Jiaotong University

Garnet lithium lanthanum zirconium oxide(Li7La3Zr2O12,LLZO) is a benchmark solid-state electrolyte（SSE） material receiving considerable attention owing to its high conductivity and chemical stability against Li *** its electro-chemo-mechanical failure mechanisms have been much investigated,the equivocal roles of grain boundary strength and grain size of LLZO remain under-explored,hindering further performance *** we decoupled the effects of grain size and grain boundary strength of polycrystalline LLZO via the combination of electrochemical kinetics and the cohesive zone *** discovered that the disintegration of LLZO is initiated by the accumulation of local displacements,which strongly relates to the changes in both grain size and grain boundary ***,variations in grain boundary strength affect the diffusion and propagation pathways of damage,while the failure of LLZO is determined by the grain *** LLZO grains facilitate transgranular damage under low grain boundary strength,which can alter local chemo-mechanics within the bulk of LLZO,leading to more extensive damage *** results showcase the structure optimization pathways by preferentially controlling the growth of lithium dendrites at grain boundaries and their penetration in garnet-type SSE.

关键词： Electro-chemo-mechanics Grain boundary Growth of lithium metal Solid-state electrolyte

Universal design of three-dimensional porous graphene-iron based promotors for kinetically rationalized lithium-sulfur chemistry

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Journal of Energy Chemistry 2025年第1期100卷 192-200页

作者： Hua gao Yunfeng Zhang Menglei wang Ruoxuan Yang Shuai Feng Xuan Cao Yaping Zhang Zhongyuan Lu Yingze Song State Key Laboratory of Environment-Friendly Energy Materials School of Materials and ChemistrySouthwest University of Science and TechnologyMianyang 621010SichuanChina School of Material Science and Engineering Henan University of TechnologyZhengzhou 450001HenanChina College of Chemistry and Chemical Engineering Taishan UniversityTai’an 271021ShandongChina

Lithium-sulfur(Li-S)batteries are widely deemed to be one of the most potential candidates for future secondary batteries because of their remarkable energy ***,notorious polysulfide shuttling and retarded sulfur reaction kinetics pose significant obstacles to the further application of Li-S *** rationally designed highly active electrocatalysts can facilitate polysulfide conversion,the universal and scalable synthesis strategies need to be ***,a universal synthetic strategy to construct a series of three-dimensional(3D)porous graphene-iron(3DGr-Fe)based electrocatalysts involving 3DGr-FeP,3DGr-Fe_(3)C,and 3DGr-Fe_(3)Se_(4)is exploited for manipulating the Li-S redox *** has been observed that the implementation of a 3D porous Gr architecture leads to the well-designed conductive networks,while the uniformly dispersed iron nanoparticles introduce an abundance of active sites,fostering the lithium polysulfide conversion,thereby bolstering the overall electrochemical *** Li-S battery with the 3DGr-Fe based electrocatalyst exhibits remarkable capacity retention of 94.8%upon 100 times at 0.2 ***,the soft-packaged Li-S pouch cell based on such a 3DGr-Fe electrocatalyst delivers superior capacity of 1060.71 mA h g^(-1)and guarantees for the continuous 30 min work of fan *** investigation gives comprehensive insights into the design,synthesis,and mechanism of 3DGr-Fe based electrocatalysts with high activity toward efficient and durable Li-S batteries.

关键词： Lithium-sulfur battery Universal synthesis 3D graphene-iron based promotor Electrocatalysis

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 EducationSchool of Public HealthSoutheast UniversityNanjing 210009China Key Laboratory of Modern Toxicology of Ministry of Education Department of Hygienic Analysis and DetectionSchool of Public HealthNanjing Medical UniversityNanjing 211166China Department of Psychosomatics and Psychiatry Zhongda HospitalSchool of MedicineSoutheast UniversityNanjing 210009China

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 ***,we developed a strategy that integrated solid phase extraction based on magnetic Fe_(3)O_(4)coated with polydopamine(Fe_(3)O_(4)@PDA)and direct analysis of mass spectrometry in real time(DART-MS)for quantification of 10 *** systematically investigated the optimal conditions of this strategy to achieve good accuracy and *** 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 *** 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 *** results highlighted the potential ability of Fe_(3)O_(4)@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

Evaluation of a user-friendly CSDS cage apparatus for studying depressive-like behaviors in rodents

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Animal Models and Experimental Medicine 2025年第1期8卷 179-186页

作者： Hao Zhang Dongmei gao Minghu Hu Wanqing Zhou Muxuan Han Ya Sun Yang Zhang Jieqiong wang Mingzhou gao High-Level Key Disciplines of Traditional Chinese Medicine:Basic Theory of Traditional Chinese Medicine National Administration of Traditional Chinese MedicineShandong University of Traditional Chinese MedicineJinanChina Key Laboratory of Traditional Chinese Medicine Classical Theory Ministry of EducationShandong University of Traditional Chinese MedicineJinanChina Experimental Center Shandong University of Traditional Chinese MedicineJinanShandongChina College of Traditional Chinese Medicine Shandong University of Traditional Chinese MedicineJinanShandongChina Innovative Institute of Chinese Medicine and Pharmacy Shandong University of Traditional Chinese MedicineJinanShandongChina Social Cooperation and Achievement Transformation Department Shandong University of Traditional Chinese MedicineJinanShandongChina

Background:Previously,a chronic social defeat stress(CSDS)model has been widely-adopted for assessing depressive-like behaviors in ***,there is still room for improvement in the CSDS model to safeguard study accuracy and the wel-fare of lab *** study team developed a novel,standardized apparatus to induce CSDS in rodents and assessed the model's practical ***:An innovative CSDS cage apparatus and water bottle was *** evaluate the effectiveness of the newly developed tools,a variety of animal models,including the tail suspension test(TST),sucrose preference test,forced swimming test(FST),novelty-suppressed feeding test,female urine sniffing test,and open field test(OFT),were adopted to assess depressive-like behaviors in *** treat-ment was also administered to observe the reversal effect,as part of the ***:The CSDS cage apparatus resulted in the manifestation of depressive-like behaviors in the model *** reductions in sucrose preference and urine sniffing time were observed,while the OFT revealed decreased central zone total distance,residence time,and frequency of ***,increased immobility was found in the FST and *** treatment was found to successfully reverse the modeling ***:The CSDS cage apparatus was validated for enhanced usability and ad-dressed the previous challenges of water bottle leakage and lab rodent welfare *** consistent results from multiple behavioral tests also supported real-world application of the apparatus,offering researchers a promising alternative to conven-tional rodent cages.

关键词： CSDS depression experimental cage leak-proof water bottle methodology

Synergistic promotion strategy of “dual-site” and “dual-path” to enhance the C–C coupling between CO_(2) and HCHO driven by photoelectrocatalysis

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Journal of Energy Chemistry 2025年第1期100卷 39-49页

作者： Hongqiang Yang Jianfeng Zheng Guoyu wang Yifei gao Yatao Yang Jia Li Xiaojin Han Yan Cui Zhanggen Huang National Key Laboratory of High Efficiency and Low Carbon Utilization of Coal Institute of Coal ChemistryChinese Academy of ScienceTaiyuan 030001ShanxiChina University of Chinese Academy of Science Beijing 100049China Shenyang University of Chemical Technology Shenyang 110142LiaoningChina

Photoelectrocatalytic coupling CO_(2)and volatile organic compounds (VOCs) is a promising green strategy for the synergistic conversion of the two carbon-containing resources to *** catalytic efficiency is always at the mercy of chemical inertness of CO_(2)and the competitive hydrogen evolution of ***,a modified g-C_(3)N_(4)/ZnAl-LDH Z-scheme heterojunction catalyst with dual reaction site was rationally designed and precisely *** Faraday efficiency of ethanol reached 68.67%with a corresponding formation rate of 227.3μmol g^(-1)h^(-1).As revealed by in-situ characterizations and density functional theory calculations,CO_(2)and HCHO were absorbed at Zn site and N site,***,*CO generated from CO_(2)and HCHO was converted to*CH_(3)O and*CHO on the dual-active-site *** detailed reaction mechanism experiments indicated that C–C coupling only occurred between*CO and*CH_(3)O in electrocatalysis *** from the“*CO+*CH_(3)O”path,another“*CO+*CHO”coupling path was also detected in photoelectrocatalytic *** selectivity of ethanol was significantly enhanced due to the synthesis of dual-site catalyst and the dual-path coupling path between CO_(2)and HCHO simultaneously driven by light and electricity.

关键词： g-C_(3)N_(4)/ZnAl-LDH heterojunction Z-scheme C-C coupling Ethanol

Numerical investigation of dynamic response and rupture properties of rock slopes subjected to earthquake triggering

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Journal of Mountain Science 2025年第2期22卷 710-728页

作者： MA Ke JIANG Zhengchun LIAO Zhiyi gao Zhiliang wang Longjiang KE Hu State Key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian 116024China Institute of Rock Instability and Seismicity Research Dalian University of TechnologyDalian 116024China Dadu River Reservoir&Dam Management Centre CHN EnergyChengdu 610095China

Landslides triggered by seismic activity have led to substantial human and economic ***,the fundamental physical mechanisms underlying the vibration and rupture of rock slopes during earthquakes remain poorly *** this study,finite element method-based numerical simulations were conducted based on the rock slope at Dagangshan Hydropower Station in Sichuan province,***,systematic analysis in both the time and frequency domains were performed to examine the seismic dynamic characteristics of the ***,the transfer function method and the multiple stepwise linear regression method were employed to clarify the underlying mechanism and determine critical factors influencing the slope instability during ***-domain analysis reveals that rock slope dynamic response exhibits notable elevation,surface,and local amplification ***,the Peak Ground Acceleration(PGA)amplification coefficient(MPGA)is significantly higher at elevated locations,near the slope surface and in areas with ***,the existence of fracture zones and anti-shear galleries minimally influences the dynamic responses but considerably affect the ***,fracture zones exacerbate rupture,while anti-shear galleries mitigate ***-domain analysis indicates that the dynamic responses of the slope are closely correlated with the degree of slope *** earthquake magnitude increases,the rupture degree of the slope intensifies,and the dominant frequency of the response within the slope decreases,e.g.,its value shifts from 3.63 to 2.75 Hz at measurement point 9near the slope *** transfer function of rock slope,calculated under the excitation of wide flat spectrum white noise can reflect the interrelationships between the inherent properties and the rupture ***,the peak of the transfer function undergoes inversion as the degree of rupture ***,through multiple stepwise li

关键词： Numerical simulation Rock slope Earthquake trigger Dynamic response Rupture properties

A dual drug-loaded tumor vasculature-targeting liposome for tumor vasculature disruption and hypoxia-enhanced chemotherapy

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Chinese Chemical Letters 2025年第1期36卷 397-402页

作者： Cheng-Zhe gao Hao-Ran Jia Tian-Yu wang Xiao-Yu Zhu Xiaofeng Han Fu-Gen Wu State Key Laboratory of Digital Medical Engineering Jiangsu Key Laboratory for Biomaterials and DevicesSchool of Biological Science and Medical EngineeringSoutheast UniversityNanjing 211189China

Vascular disrupting agents(VDAs)can destroy tumor vasculature and lead to tumor ischemia and hypoxia,resulting in tumor ***,VDAs are easy to induce the upregulation of genes that are associated with cancer cell drug resistance and angiogenesis in tumor ***-activated chemotherapy will be an ideal supplement to VDAs therapy since it can help to fully utilize the ischemia and hypoxia induced by VDAs to realize a synergistic antitumor therapeutic ***,we design a liposome whose surface is modified with a tumor-homing peptide Cys-Arg-Glu-Lys-Ala(CREKA,which can specifically target tumor vessels and stroma)and whose aqueous cavity and lipid bilayer are loaded by a hypoxia-activatable drug banoxantrone dihydrochloride(AQ4N)and a VDA combretastatin A4(CA4),***4 can selectively target vascular endothelial cells and destroy the tumor blood vessels,which will cause the rapid inhibition of blood flow in tumor and enhance the hypoxia in the tumor *** a consequence,AQ4N can exert its boosted cytotoxicity under the enhanced hypoxic *** as-prepared liposome with a uniform particle size exhibits good stability and high cancer cell killing efficacy in *** addition,in vivo experiments confirm the excellent tumortargeting/accumulation,tumor vasculature-damaging,and tumor inhibition effects of the *** work develops a liposomal which can achieve safe and effective tumor suppression without external stimulus excitation by only single injection,and is expected to benefit the future development of effective antitumor liposomal drugs.

关键词： Tumor-homing peptide Liposome Vascular disrupting agents Chemotherapy Hypoxia-activated

Enhanced methanol production from photothermal CO2 reduction via multilevel interface design

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Nano Research 2025年第2期18卷 235-241页

作者： Hongmin wang Bo Shang Chungseok Choi Sungho Jeon Yuanzuo gao Tyler wang Nia J.Harmon Mengxia Liu Eric A.Stach Hailiang wang Department of Chemistry Yale UniversityNew HavenCT 06520USA Energy Sciences Institute Yale UniversityWest HavenCT 06516USA School of Materials Science and Engineering Southeast UniversityNanjing 211189China Current address:SKKU Advanced Institute of Nanotechnology and Department of Nanoengineering Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Materials Science and Engineering University of PennsylvaniaPhiladelphiaPA 19104USA Department of Physics Yale UniversityNew HavenCT 06511USA Department of Electrical Engineering Yale UniversityNew HavenCT 06511USA

Photothermal CO_(2) hydrogenation is a promising route to produce methanol as a sustainable liquid solar ***,most existing catalysts require a combination of solar irradiation and additional heat input to achieve a satisfactory reaction *** the few that can be driven solely by light,their reaction rates are one order of magnitude *** develop a photothermal catalyst with multilevel interfaces that achieves improvedmethanol production from photothermal CO_(2) hydrogenation without external *** catalyst features a layered structure comprising Cu/ZnO/Al_(2)O_(3)(CZA)covered by oxidized carbon black(oCB),where the oCB/CZA interface promotes efficient heat generation and transfer,and the Cu/oxide interface contributes to high catalytic *** a mild pressure of 8 bar,our oCB/CZA catalyst shows a methanol selectivity of 64.7%with a superior production rate of 4.91 mmol-geza-1-h-1,at least one order of magnitude higher than other photothermal catalysts solely driven by *** work demonstrates a photothermal catalyst design strategy for liquid solar fuel production.

关键词： photothermal catalysis CO_(2)hydrogenation methanol production solar fuel multilevel interface Cu/ZnO/Al_(2)O_(3)(CZA)catalyst