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Molecular dynamics simulations of helium transport through inorganic mineral nanopores

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Science china Earth Sciences 2025年第1期68卷 237-252页

作者： Dandan SONG Ping guan chi ZHANG Jiahao REN School of Earth and Space Sciences Peking University

Helium transport through nanoscale inorganic mineral pores and pore throats is essential for its overall migration. To elucidate helium's transport dynamics within nanopores, we employed equilibrium and non-equilibrium molecular dynamics simulations to investigate helium's static self-diffusion and pressure-driven flow in quartz slit-shaped nanopores. We also introduced water and various gases, including hydrogen, methane, ethane, nitrogen, and carbon dioxide, into the nanopores to assess their influence on helium transport. Our findings indicate minimal helium adsorption on quartz pore surfaces. Under conditions where the pore size is less than 5 nm and the pressure under 10 MPa, environmental factors markedly influence helium diffusion. Large pore sizes, high temperatures, and low gas pressures enhance helium desorption and facilitate faster diffusion. We observed a positive correlation between helium flow velocity and factors such as pore size, pressure gradient, and surface smoothness of the pores. Notably, the presence of pore water and carrier gases in quartz nanopores, which diffuse more slowly than helium, tends to reduce helium surface adsorption and slow its diffusion. Among the carrier gases studied, nitrogen showed similar adsorption capacity, diffusivity, and stability to helium, while carbon dioxide displayed the highest adsorption capacity and the slowest diffusion rate, markedly differing from helium. Based on the simulation results, we concluded that water and carrier gases primarily function as transport mediums in helium migration, moving together with helium. Nitrogen, which shares similar properties with helium, effectively assists in this co-migration process. conversely, carbon dioxide, due to its high adsorption capacity and slow diffusion, tends to be lost during co-migration. As a result, gas reservoirs with high nitrogen levels and low carbon dioxide levels are more likely to have higher helium concentrations. Additionally, the smaller por

关键词： Helium transport Slit nanopores Molecular dynamics simulations Diffusion Flow carriers

Number of J/ψ events at BESIII

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chinese Physics c 2022年第7期46卷 74-84页

作者： M.Ablikim M.N.Achasov P.Adlarson S.Ahmed M.Albrecht R.Aliberti A.Amoroso M.R.An Q.An X.H.Bai y.Bai O.Bakina R.Baldini Ferroli I.Balossino y.Ban K.Begzsuren N.Berger M.Bertani D.Bettoni F.Bianchi J.Bloms A.Bortone I.Boyko R.A.Briere H.cai X.cai A.calcaterra G.F.cao N.cao S.A.cetin J.F.chang W.L.chang G.chelkov G.chen H.S.chen M.L.chen S.J.chen X.R.chen y.B.chen Z.J.chen W.S.cheng G.cibinetto F.cossio J.J.cui X.F.cu H.L.Dai J.P.Dai X.c.Dai A.Dbeyssi R.E.de Boer D.Dedovich Z.y.Deng A.Denig I.Denysenko M.Destefanis F.De Mori y.Ding c.Dong J.Dong L.y.Dong M.y.Dong X.Dong S.X.Du P.Egorov y.L.Fan J.Fang S.S.Fang y.Fang R.Farinelli L.Fava F.Feldbauer G.Felici c.Q.Feng J.H.Feng M.Fritsch c.D.Fu y.Gao y.Gao I.Garzia P.T.Ge c.Geng E.M.Gersabeck A Gilman K.Goetzen L.Gong W.X.Gong W.Gradl M.Greco L.M.Gu M.H.Gu c..y.guan A.Q.Guo A.Q.Guo L.B.Guo R.P.Guo y.P.Guo A.Guskov T.T.Han W.y.Han X.Q.Hao F.A.Harris K.K.He K.L.He F.H.Heinsius c.H.Heinz y.K.Heng c.Herold M.Himmelreich T.Holtmann G.y.Hou y.R.Hou Z.L.Hou H.M.Hu J.F.Hu T.Hu y.Hu G.S.Huang L.Q.Huang X.T.Huang y.P.Huang Z.Huang T.Hussain N Husken W.Ikegami Andersson W.Imoehl M.Irshad S.Jaeger S.Janchiv Q.Ji Q.P.Ji X.B.Ji X.L.Ji y.y.Ji H.B.Jiang X.S.Jiang J.B.Jiao Z.Jiao S.Jin y.Jin M.Q.Jing T.Johansson N.Kalantar-Nayestanaki X.S.Kang R.Kappert M.Kavatsyuk B.c.Ke I.K.Keshk A.Khoukaz P.Kiese R.Kiuchi R.Kliemt L.Koch O.B.Kolcu B.Kopf M.Kuemmel M.Kuessner A.Kupsc M.G.Kurth W.Kuhn J.J.Lane J.S.Lange P.Larin A.Lavania L.Lavezzi Z.H.Lei H.Leithoff M.Lellmann T.Lenz c.Li c.H.Li cheng Li D.M.Li F.Li G.Li H.Li H.Li H.B.Li H.J.Li H.N.Li J.L.Li J.Q.Li J.S.Li Ke Li L.K.Li Lei Li P.R.Li S.y.Li W.D.Li W.G.Li X.H.Li X.L.Li Xiaoyu Li Z.y.Li H.Liang H.Liang H.Liang y.F.Liang y.T.Liang G.R.Liao L.Z.Liao J.Libby A.Limphirat c.X.Lin D.X.Lin T.Lin B.J.Liu c.X.Liu D.Liu F.H.Liu Fang Liu Feng Liu G.M.Liu H.M.Liu Huanhuan Liu Huihui Liu J.B.Liu J.L.Liu J.y.Liu K.Liu K.y.Liu Ke Liu L.Liu M.H.Liu P.L.Liu Q.Liu Q.Liu S.B.Liu T.Liu T.Liu W.M.Liu X.Liu y.Liu y.B.Liu Z.A.Liu Z.Q.Liu X.c.Lou F.X.Lu H.J.Lu J.D. Institute of High Energy Physics Beijing 100049China Beihang University Beijing 100191China Beijing Institute of Petrochemical Technology Beijing 102617China Bochum Ruhr-University D-44780 BochumGermany camnegie Mellon University PittsburghPennsylvania 15213USA central china Normal University Wuhan 430079China china center of Advanced Science and Technology Beijing 100190China cOMSATS University Islamabad Lahore CampusDefence RoadOff Raiwind Road54000 LahorePakistan Fudan University Shanghai 200443China G.I.Budker Institute of Nuclear Physies SBRAS(BINP) Novosibirsk 630090Russia GSI Helmholtzcentre for Heavy Ion Research GmbH D-64291 DarmstadtGermany guangxi Normal University Guilin 541004China Hangzhou Normal University Hangzhou 310036China Helmholtz Institute Mainz Staudinger Weg 18D-55099 MainzGermany Henan Normal University Xinxiang 453007China Henan University of Science and Technology Luoyang 471003China Henan University of Technology Zhengzhou 450001China Huangshan college Huangshan 245000China Hunan Normal University Changsha 410081China Hunan University Changsha 410082China Indian Institute of Technology Madras Chennai 600036India Indiana University BloomingtonIndiana 47405USA INFN Laboratori Nazionali di Frascati I-00044FrascatiItaly INFN Sezione di Perugia I-06100PerugiaItaly University of Perugia I-06100PerugiaItaly University of Ferrara I-44122FerraraItaly Institute of Modern Physics Lanzhou 730000China Institute of Physies and Technology Peace Ave 54BUlaanbaatar 13330Mongolia Jilin University Changchun 130012China Johannes Gutenberg University of Mainz Johann-Joachim-Becher-Weg 45D-55099 MainzGermany Joint Institute for Nuclear Research 141980 DubnaMoscow regionRussia Justus-Liebig-Universitaet Giessen Ⅱ.Physikaliches InstitutHeinricH-Buff-Ring 16D-35392 GiessenGermany Lanzhou University Lnzhou 730000China Liaoning Normal University Dalian 116029China Liaoning University Shenyang 110036China Nanjing Normal University Nanjing 210023China Nanjing Univ

Using inclusive decays of J/ψ aprecise determination of the number of J/ψ events collected with the BESIII detector was *** the two data sets taken in 2009 and 2012,the numbers of J/ψ events were recalculated to be(224.0±1.3)×10^(6) and(1088.5±4.4)×10^(6),respectively;these numbers are in good agreement with the previous measurements. For the J/ψ sample taken in 2017-2019,the number of events was determined to be(8774.0±39.4)×10^(6).The total number of J/ψ events collected with the BESIII detector was determined to be(10087±44)×10^(6),where the uncertainty is dominated by systematic effects,and the statistical uncertainty is negligible.

关键词： number of J/ψevents BESIII detector inclusive J/ψdecays

Decreased levels of phosphorylated synuclein in plasma are correlated with poststroke cognitive impairment

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Neural Regeneration Research 2025年第9期20卷 2598-2610页

作者： yi Wang yuning Li yakun Gu Wei Ma yuying guan Mengyuan Guo Qianqian Shao Xunming Ji Jia Liu Department of clinical Laboratory Beijing Bo’ai HospitalChina Rehabilitation Research CenterCapital Medical UniversityBeijingChina Beijing Institute of Brain Disorders Laboratory of Brain DisordersMinistry of Science and TechnologyCollaborative Innovation Center for Brain DisordersBeijing Advanced Innovation Center for Big Data-based Precision MedicineCapital Medical UniversityBeijingChina Department of Neurosurgery Xuanwu HospitalCapital Medical UniversityBeijingChina

Poststro ke cognitive impairment is a major secondary effect of ischemic stroke in many patients;however,few options are available for the early diagnosis and treatment of this *** aims of this study were to(1)determine the specific relationship between hypoxic andα-synuclein during the occur of poststroke cognitive impairment and(2)assess whether the serum phosphorylatedα-synuclein level can be used as a biomarker for poststro ke cognitive *** found that the phosphorylatedα-synuclein level was significantly increased and showed pathological aggregation around the cerebral infa rct area in a mouse model of ischemic *** addition,neuronalα-synuclein phosphorylation and aggregation were observed in the brain tissue of mice subjected to chronic hypoxia,suggesting that hypoxia is the underlying cause ofα-synuclein-mediated pathology in the brains of mice with ischemic *** phosphorylatedα-synuclein levels in patients with ischemic stroke were significantly lower than those in healt hy subjects,and were positively correlated with cognition levels in patients with ischemic ***,a decrease in serum high-density lipoprotein levels in stroke patie nts was significantly correlated with a decrease in phosphorylatedα-synuclein *** ischemic stroke mice did not show significant cognitive impairment or disrupted lipid metabolism 14 days after injury,some of them exhibited decreased cognitive function and reduced phosphorylatedα-synuclein *** together,our results suggest that serum phosphorylatedα-synuclein is a potential biomarker for poststroke cognitive impairment.

关键词： biomarker high-density lipoprotein ischemic stroke phosphorylatedα-synuclein poststroke cognitive impairment

Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of cO2

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Journal of Energy chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen guan cailing chen chao Wu Xiaoling Liu Biao Meng Tao chen yu Han Jun Wang Shibo Xi yu Zhou State Key Laboratory of Materials-Oriented chemical Engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) college of Materials Science and Engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （cO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-Nc-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of cO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of cO2,the coexistence of Ni SAs and NPs strengthened the cO2activation and the affinity towards the key intermediate of*cOOH,lowering the free energy for the potential-determining*cO2→*cOOH step,and therefore promoted the catalysis efficiency.

关键词： Activation energy

Multiple dynamic bonds enable high mechanical strength and efficient room-temperature self-healable polyurethane for triboelectric nanogenerators

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Science china chemistry 2025年

作者： Wenwen Zhang Huixia Xuan Xiaofei Xu Jiaming Lou Qingbao guan Zhengwei you State Key Laboratory for Modification of chemical Fibers and Polymer Materials Institute of Functional Materials College of Materials Science and Engineering Shanghai Key Laboratory of Lightweight Composite Shanghai Engineering Research Center of Nano-Biomaterials and Regenerative Medicine Donghua University

For room temperature self-healing triboelectric nanogenerators（TENGs）, the inherent contradiction between mechanical strength and self-healing properties was an urgent problem to be solved. Based on the phenol-carbamate bond, this paper proposed a strategy to design a new molecular structure and coordinate the triple dynamic bonds, which provided a feasible strategy to solve this contradiction. With polytetramethylene ether glycol（M_n= 1,000） as the soft segment in the main chain of polyurethane（PU）, meanwhile methylene diphenyl diisocyanate and 4,4′-dihydroxybiphenyl（BP） as the hard segment and chain extension agent, respectively, the combination of tetrad benzene ring endowed the resultant 4BP-PU with π-π interaction. The effective reversible dissociation and association with hydrogen bond not only bestowed 4BP-PU with high mechanical strength（16.14 MPa）, but also promoted high self-healing efficiency（94.8%） at room temperature. 4BP-PU was selected as the elastic substrate between polydimethylsiloxane and copper sheet to prepare a self-healing TENG to collect energy from natural ***, the rational molecular structure design provided new ideas for developing self-healing materials and fabricating energy harvest electronics.

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Endoplasmic reticulum stress and autophagy in cerebral ischemia/reperfusion injury:PERK as a potential target for intervention

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Neural Regeneration Research 2025年第5期20卷 1455-1466页

作者： Ju Zheng yixin Li Ting Zhang yanlin Fu Peiyan Long Xiao Gao Zhengwei Wang Zhizhong guan Xiaolan Qi Wei Hong yan Xiao Key Laboratory of Endemic and Ethnic Diseases Ministry of Education&Key Laboratory of Medical Molecular Biology of Guizhou ProvinceGuizhou Medical UniversityGuiyangGuizhou ProvinceChina Guizhou center for Disease control and Prevention GuiyangGuizhou ProvinceChina Department of Histology and Embryology Guizhou Medical UniversityGuiyangGuizhou ProvinceChina collaborative Innovation center for Prevention and control of Endemic and Ethnic Regional Diseases co-constructed by the Province and Ministry GuiyangGuizhou ProvinceChina

Several studies have shown that activation of unfolded protein response and endoplasmic reticulum(ER)stress plays a crucial role in severe cerebral ischemia/reperfusion *** occurs within hours after cerebral ischemia,but the relationship between ER stress and autophagy remains *** this study,we established experimental models using oxygen-glucose deprivation/reoxygenation in Pc12 cells and primary neurons to simulate cerebral ischemia/reperfusion *** found that prolongation of oxygen-glucose deprivation activated the ER stress pathway protein kinase-like endoplasmic reticulum kinase(PERK)/eukaryotic translation initiation factor 2 subunit alpha(e IF2α)-activating transcription factor 4(ATF4)-c/EBP homologous protein(cHOP),increased neuronal apoptosis,and induced ***,inhibition of ER stress using inhibitors or by si RNA knockdown of the PERK gene significantly attenuated excessive autophagy and neuronal apoptosis,indicating an interaction between autophagy and ER stress and suggesting PERK as an essential target for regulating *** autophagy with chloroquine exacerbated ER stress-induced apoptosis,indicating that normal levels of autophagy play a protective role in neuronal injury following cerebral ischemia/reperfusion *** from this study indicate that cerebral ischemia/reperfusion injury can trigger neuronal ER stress and promote autophagy,and suggest that PERK is a possible target for inhibiting excessive autophagy in cerebral ischemia/reperfusion injury.

关键词： apoptosis ATF4 autophagy c/EBP homologous protein cerebral ischemia/reperfusion injury eIF2α endoplasmic reticulum stress PERK

Dielectric-ion-conductive ZnNb2O6 layer enabling rapid desolvation and diffusion for dendrite-free Zn metal batteries

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Journal of Energy chemistry 2025年第1期100卷 693-701页

作者： Haifeng yang Jian Wang Panpan Zhang Xiaomin cheng Qinghua guan Jing Dong Bixian chen Lujie Jia Jing Zhang yongzheng Zhang yunjian Liu Hongzhen Lin School of Materials Science and Engineering Jiangsu University i-Lab & cAS Key Laboratory of Nanophotonic Materials and Devices Suzhou Institute of Nano-Tech and Nano-Bionics Chinese Academy of Sciences Helmholtz Institute Ulm (HIU) Karlsruhe Institute of Technology (KIT) School of Materials Science and Engineering Xi'an University of Technology State Key Laboratory of chemical Engineering East China University of Science and Technology

Rechargeable aqueous zinc-metal batteries （AZMBs） are promising candidates for large-scale energy storage systems due to their low cost and high ***,their performance and sustainability are significantly hindered by the sluggish desolvation kinetics at the electrode/electrolyte interface and the corresponding hydrogen evolution reaction where active water molecules tightly participate in the Zn（H2O）62+solvation ***,learnt from self-generated solid electrolyte interphase （SEI） in anodes,the dielectric but ion-conductive zinc niobate nanoparticles artificial layer is constructed on metallic Zn surface （ZNB@Zn）,acting as a rapid desolvation *** zincophilic and dielectric-conductive properties of ZNB layer accelerate interfacial desolvation/diffusion and suppress surface corrosion or dendrite formation,achieving uniform Zn plating/stripping behavior,as confirmed by electronic/optical microscopies and interface spectroscopical measurements together with theoretical ***,the as-prepared ZNB@Zn electrode exhibits excellent cycling stability of over 2000 h and robust reversibility （99.54%） even under high current density and depth of discharge ***,the assembled ZNB@Zn-based full cell displays high capacity-retention rate of 80.21%after 3000 cycles at 5 A g-1and outstanding rate performance up to 10 A *** large-areal pouch cell is stabilized for hundreds of cycles,highlighting the bright prospects of the dielectric but ion-conductive layer in further application of AZMBs.

关键词： Zn metal battery Dielectric artificial layer Rapid ion diffusion Zincophilic diffusion Active water inhibition

Investigating the pharmacological basis and mechanisms of the anti-thrombotic effects of Paeoniae Radix Rubra， both pre- and post-stir-frying with rice wine

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Food Science and Human Wellness 2025年

作者： Jiaxu Zhang Jian guan Ajiao Hou Wenying Niu Haixue Kuang Liu yang Hai Jiang Key Laboratory of Basic and Application Research of Beiyao， Heilongjiang University of chinese Medicine， Ministry of Education

Paeoniae Radix Rubra (PRR) is a commonly used traditional chinese medicine known for promoting blood circulation and alleviating pain. Stir-frying PRR with rice wine enhances its effectiveness in improving blood flow and resolving stasis. To explore the pharmacodynamic basis and mechanisms behind PRR's anti-thrombotic effects—both pre- and post-stir-frying—a comprehensive approach combining pharmacological research， metabolomics， and chemistry was employed. Fraction inter-cross validation experiments， pharmacological assessments， and metabolomic analyses confirm the efficacy of the fraction separation process. Wine-stir-fried PRR (WPRR) shows superior blood activation compared to PRR. PRR mainly affects the TcA cycle and sphingolipid metabolism pathways through its small molecules， enhancing coagulation and fibrinolysis systems' functionality. All the subdivided components of WPRR have anti-thrombotic effects， especially polysaccharides and oligosaccharides. WPRR improves thrombotic conditions in rat blood stasis by modulating arachidonic acid metabolism， TcA cycle， lipid status enhancement， and angiogenesis stimulation while regulating platelet adhesion and aggregation. In conclusion， compared with PRR， the main material basis for the blood-activating efficacy of WPRR has transformed from small molecule compounds to polysaccharide and oligosaccharide components. The action pathways of WPRR in exerting anti-thrombotic efficacy have increased. The polysaccharide components in WPRR might possess considerable potential for being developed into natural anti-thrombotic drugs.

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Inhibitory gamma-aminobutyric acidergic neurons in the anterior cingulate cortex participate in the comorbidity of pain and emotion

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Neural Regeneration Research 2025年第10期20卷 2838-2854页

作者： Lu guan Mengting Qiu Na Li Zhengxiang Zhou Ru ye Liyan Zhong yashuang Xu Junhui Ren yi Liang Xiaomei Shao Jianqiao Fang Junfan Fang Junying Du Department of Neurobiology and Acupuncture Research Third School of Clinical MedicineZhejiang Chinese Medical UniversityHangzhouZhejiang ProvinceChina Key Laboratory for Research of Acupuncture Treatment and Transformation of Emotional Diseases Third School of Clinical MedicineZhejiang Chinese Medical UniversityHangzhouZhejiang ProvinceChina Fuchun community Health Service center of Fuyang District HangzhouZhejiang ProvinceChina

Pain is often comorbid with emotional disorders such as anxiety and *** of the anterior cingulate cortex has been implicated in pain and pain-related negative emotions that arise from impairments in inhibitory gamma-aminobutyric acid *** review primarily aims to outline the main circuitry(including the input and output connectivity)of the anterior cingulate cortex and classification and functions of different gamma-aminobutyric acidergic neurons;it also describes the neurotransmitters/neuromodulators affecting these neurons,their intercommunication with other neurons,and their importance in mental comorbidities associated with chronic pain *** understanding on their role in pain-related mental comorbidities may facilitate the development of more effective treatments for these ***,the mechanisms that regulate gamma-aminobutyric acidergic systems remain *** is also unclear as to whether the mechanisms are presynaptic or *** exploration of the complexities of this system may reveal new pathways for research and drug development.

关键词： anterior cingulate cortex anxiety chronic pain circuit communication comorbidity depression gamma-aminobutyric acidergic neurons parvalbumin neurons synaptic transmission