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Chinese Journal of Chemical Physics 2008年第1期21卷 45-54页

作者： Jing-bo Wang jian-yi ma Xiang-yuan Li Fu-cheng He Ke-xiang Fu College of Chemical Engineering Sichuan University Chengdu 610065 China Institute for Nanobiomedical Technology and Membrane Biology 5ichuan University Chengdu510055 China

A novel algorithm was designed and implemented to realize the numerical calculation of the solvent reorganization energy for electron transfer reactions, on the basis of nonequilibrium solvation theory and the dielectric polarizable continuum model. Applying the procedure to the well-investigated intramoleeular electron transfer in biphenyl-androstane-naphthyl and biphenyl-androstane-phenanthryl systems, the numerical results of solvent reorganization energy were determined to be around 60 k J/mol, in good agreement with experimental data. Koopman＇s theorem was adopted for the calculation of the electron transfer coupling element, associated with the linear reaction coordinate approximation. The values for this quantity obtained are acceptable when compared with experimental results.

关键词： Nonequilibrium salvation Electron transfer Solvent reorganization energy Continuum model

Molecular design,synthesis and biological activities of amidines as new ketol-acid reductoisomerase inhibitors

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Chinese Chemical Letters 2008年第6期19卷 651-654页

作者： Bao Lei Wang Yong Hong Li jian Guo Wang yi ma Zheng Ming Li Elemento-Organic Chemistry Institute State-Key Laboratory of Elemento-Organic Chemistry Nankai University Tianjin 300071 China

Diamidine （A） was identified in our in vitro bio-assay as a possible inhibitor of ketol-acid reductoisomerase （KARI） from the ACD database search based on the known three-dimensional crystal structure of KARI. An investigation on interaction of A on KARI active sites, led to the design and synthesis of 15 novel monoamidines. Some of those showed better biological activity than A on rice KARI （in vitro） and in greenhouse herbicidal tests （in vivo）. The structure-biological activity relationship was investigated, which provides valuable information to further study of potential KARI inhibitors.

关键词： KARl Molecular design Synthesis Biological activity

Application of Novel Nonequilibrium Solvation Theory on Electronic Spectrum and Electron Transfer

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Application of Novel Nonequilibrium Solvation Theory on Elec...

Exosomes:the next-generation therapeutic platform for ischemic stroke

中国化学会第十二届全国量子化学会议

作者： Hai-Sheng Ren jian-yi ma Xiang-Yuan Li College of Chemistry Sichuan University Institute of Atomic and Molecular Physics Sichuan University College of Chemical Engineering Sichuan University

The electrostatic interaction between solute and solvent molecules will produce the electronic polarization which manifests ultrafast processes in electronic excitation and electron *** means that the system will reach a nonequilibrium *** is well known that accurate theoretical descriptions of electronic spectra and electron transfer require a proper account of nonequilibrium solute-solvent ***,how to set up a correct nonequilibrium state is a challenge for theorists.[1-2]In recent years,our group proposed a new way to obtain the rational formula of electrostatic solvation energy of nonequilibrium polarization by introducing the constrained equilibrium approach in framework of continuum *** formula has been successfully applied to obtain the expression of solvent reorganization energy which plays a key role in electronic excitation and electron transfer reactions.[3-5]As typical test cases,self-exchange ET reactions between tetracyanoethylene（TCNE）and tetrathiafulvalene（TTF）and their corresponding ionic radicals in acetonitrile solution have been *** obtained reorganization energies are 7293 cm-1 and5939 cm-1 for TCNE/TCNE-and TTF/TTF+reactions,agreeing well with the available experimental results of 7250 cm-1 and 5810 cm-1,respectively.[6]

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Neural Regeneration Research 2025年第5期20卷 1221-1235页

作者： Wenjing yin Hongyin ma Yang Qu Jiaxin Ren yingying Sun Zhen-Ni Guo yi Yang Stroke Center Department of NeurologyFirst Hospital of Jilin UniversityChangchunJilin ProvinceChina Neuroscience Research Center Department of NeurologyFirst Hospital of Jilin UniversityChangchunJilin ProvinceChina

Current therapeutic strategies for ischemic stroke fall short of the desired objective of neurological functional ***,there is an urgent need to develop new methods for the treatment of this *** are natural cell-derived vesicles that mediate signal transduction between cells under physiological and pathological *** have low immunogenicity,good stability,high delivery efficiency,and the ability to cross the blood–brain *** physiological properties of exosomes have the potential to lead to new breakthroughs in the treatment of ischemic *** rapid development of nanotechnology has advanced the application of engineered exosomes,which can effectively improve targeting ability,enhance therapeutic efficacy,and minimize the dosages *** in technology have also driven clinical translational research on *** this review,we describe the therapeutic effects of exosomes and their positive roles in current treatment strategies for ischemic stroke,including their antiinflammation,anti-apoptosis,autophagy-regulation,angiogenesis,neurogenesis,and glial scar formation reduction ***,it is worth noting that,despite their significant therapeutic potential,there remains a dearth of standardized characterization methods and efficient isolation techniques capable of producing highly purified *** optimization strategies should prioritize the exploration of suitable isolation techniques and the establishment of unified workflows to effectively harness exosomes for diagnostic or therapeutic applications in ischemic ***,our review aims to summarize our understanding of exosome-based treatment prospects in ischemic stroke and foster innovative ideas for the development of exosome-based therapies.

关键词： blood–brain barrier electroacupuncture engineering exercise exosomes ischemic stroke mesenchymal stem cells microglia neuroprotection stents

maintaining moderate levels of hypochlorous acid promotes neural stem cell proliferation and differentiation in the recovery phase of stroke

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Neural Regeneration Research 2025年第3期20卷 845-857页

作者： Lin-Yan Huang yi-De Zhang Jie Chen Hai-Di Fan Wan Wang Bin Wang Ju-Yun ma Peng-Peng Li Hai-Wei Pu Xin-yian Guo jian-Gang Shen Su-Hua Qi School of Medical Technology Xuzhou Key Laboratory of Laboratory DiagnosticsXuzhou Medical UniversityXuzhouJiangsu ProvinceChina School of Pharmacy Xuzhou Medical UniversityXuzhouJiangsu ProvinceChina Department of Laboratory Medicine Branch Hospital of Huai’an First People’s HospitalHuai’anJiangsu ProvinceChina Department of Laboratory Medicine the Affiliated Hospital of Xuzhou Medical UniversityXuzhouJiangsu ProvinceChina School of Chinese Medicine The University of Hong KongHong Kong Special Administrative RegionChina

It has been shown clinically that continuous removal of ischemia/reperfusion-induced reactive oxygen species is not conducive to the recovery of late ***,previous studies have shown that excessive increases in hypochlorous acid after stroke can cause severe damage to brain *** previous studies have found that a small amount of hypochlorous acid still exists in the later stage of stroke,but its specific role and mechanism are currently *** simulate stroke in vivo,a middle cerebral artery occlusion rat model was established,with an oxygen-glucose deprivation/reoxygenation model established in vitro to mimic *** found that in the early stage(within 24 hours)of ischemic stroke,neutrophils produced a large amount of hypochlorous acid,while in the recovery phase(10 days after stroke),microglia were activated and produced a small amount of hypochlorous ***,in acute stroke in rats,hypochlorous acid production was prevented using a hypochlorous acid scavenger,taurine,or myeloperoxidase inhibitor,4-aminobenzoic acid *** results showed that high levels of hypochlorous acid(200μM)induced neuronal apoptosis after oxygen/glucose deprivation/***,in the recovery phase of the middle cerebral artery occlusion model,a moderate level of hypochlorous acid promoted the proliferation and differentiation of neural stem cells into neurons and *** suggests that hypochlorous acid plays different roles at different phases of cerebral ischemia/reperfusion *** levels of hypochlorous acid(5 and 100μM)promoted nuclear translocation ofβ-*** transfection of single-site mutation plasmids,we found that hypochlorous acid induced chlorination of theβ-catenin tyrosine 30 residue,which promoted nuclear ***,our study indicates that maintaining low levels of hypochlorous acid plays a key role in the recovery of neurological function.

关键词： cell differentiation cerebral ischemia/reperfusion injury chlorination hypochlorous acid microglia neural stem cell neurogenesis nuclear translocation stroke β-catenin

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海南岛土壤粘粒矿物特征与土壤系统分类

土壤学报 2002年第4期39卷 467-475页

作者：杨德涌陈世俭马毅杰中国科学院南京土壤研究所南京210008

研究了海南岛不同母质土壤的粘粒矿物特征:都含有较多的高岭石,其中玄武岩发育土壤粘粒中高岭石最多,但其结晶最差。片岩和紫色砂岩发育土壤含相当多的水云母,粘粒部分水云母含量高达40％～45％,石灰岩发育土壤水云母含量亦较高,达20％... 详细信息

研究了海南岛不同母质土壤的粘粒矿物特征:都含有较多的高岭石,其中玄武岩发育土壤粘粒中高岭石最多,但其结晶最差。片岩和紫色砂岩发育土壤含相当多的水云母,粘粒部分水云母含量高达40％～45％,石灰岩发育土壤水云母含量亦较高,达20％～37％,此类水云母属二八面体型的水化白云母。玄武岩和花岗岩发育的“湿润”土壤粘粒中针铁矿与赤铁矿的含量之比为（3～4）:1,而花岗岩发育的“常湿”土壤粘粒中只有针铁矿,不见赤铁矿存在,证明土壤中氧化铁矿物的类型是土壤湿润状况的反应,在中国土壤系统分类中可以用来区分“湿润”和“常湿”土壤的一个指标。

关键词：海南岛土壤粘粒矿物特征土壤系统分类

Unlocking the future:Mitochondrial genes and neural networks in predicting ovarian cancer prognosis and immunotherapy response

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World Journal of Clinical Oncology 2025年第1期16卷 43-52页

作者： Zhi-jian Tang Yuan-Ming Pan Wei Li Rui-Qiong ma jian-Liu Wang Department of Obstetrics and Gynecology Peking University People’s HospitalBeijing 100044China Cancer Research Center Beijing Chest HospitalBeijing 101149China Department of Thoracic Surgery Sichuan Provincial People's HospitalChengdu 610072Sichuan ProvinceChina

BACKGROUND Mitochondrial genes are involved in tumor metabolism in ovarian cancer(OC)and affect immune cell infiltration and treatment *** To predict prognosis and immunotherapy response in patients diagnosed with OC using mitochondrial genes and neural *** Prognosis,immunotherapy efficacy,and next-generation sequencing data of patients with OC were downloaded from The Cancer Genome Atlas and Gene Expression *** genes were sourced from the MitoCarta3.0 *** discovery cohort for model construction was created from 70% of the patients,whereas the remaining 30% constituted the validation *** the expression of mitochondrial genes as the predictor variable and based on neural network algorithm,the overall survival time and immunotherapy efficacy(complete or partial response)of patients were *** In total,375 patients with OC were included to construct the prognostic model,and 26 patients were included to construct the immune efficacy *** average area under the receiver operating characteristic curve of the prognostic model was 0.7268[95% confidence interval(CI):0.7258-0.7278]in the discovery cohort and 0.6475(95%CI:0.6466-0.6484)in the validation *** average area under the receiver operating characteristic curve of the immunotherapy efficacy model was 0.9444(95%CI:0.8333-1.0000)in the discovery cohort and 0.9167(95%CI:0.6667-1.0000)in the validation *** The application of mitochondrial genes and neural networks has the potential to predict prognosis and immunotherapy response in patients with OC,providing valuable insights into personalized treatment strategies.

关键词： Ovarian cancer Mitochondria Prognosis Immunotherapy Neural network

Mesospheric tide comparisons at low latitudes observed by two collocated meteor radars

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Earth and Planetary Physics 2025年第1期9卷 54-68页

作者： jian Li Wen yi XiangHui Xue Jie Zeng HaiLun Ye jianYuan Wang JinSong Chen Na Li TingDi Chen Chinese Academy of Sciences(CAS)Key Laboratory of Geospace Environment Department of Geophysics and Planetary SciencesUniversity of Science and Technology of ChinaHefei 230026China CAS Center for Excellence in Comparative Planetology Anhui Mengcheng Geophysics National Observation and Research StationUniversity of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230026China Collaborative Innovation Center of Astronautical Science and Technology Harbin 150001China National Key Laboratory of Electromagnetic Environment China Research Institute of Radiowave PropagationQingdao 266107China Yunnan Kunming Electromagnetic Environment National Observation and Research Station Qujing Kunming 655000China

Accurate knowledge of mesospheric winds and waves is essential for studying the dynamics and climate in the mesosphere and lower thermosphere(MLT)*** this study,we conduct a comparative analysis of the mesosphere tidal results obtained from two adjacent meteor radars at low latitudes in Kunming,China,from November 2013 to December *** two radars operate at different frequencies of 37.5 MHz and 53.1 MHz,***,overall good agreement is observed between the two radars in terms of horizontal winds and tide *** results show that the dominant tidal waves of the zonal and meridional winds are diurnal and semidiurnal ***,we conduct an exhaustive statistical analysis to compare the tidal amplitudes and vertical wavelengths recorded by the dual radar systems,which reveals a high degree of alignment in tidal *** investigation includes variances and covariances of tidal amplitudes,which demonstrate remarkable consistency across measurements from both *** finding highlights clear uniformity in the mesospheric tidal patterns observed at low latitudes by the two neighboring meteor *** of the comparative analysis specifically underscore the significant correlation in vertical wavelength measurements,validating the robustness of radar observations for tidal research.

关键词： mesosphere and lower thermosphere region meteor radar mesospheric winds tides

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

基于增量反馈RBM的电能替代终端能源评价模型

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计算机工程与设计 2017年第11期38卷 3066-3071页

作者：高鑫胡彩娥王健丁屹峰马龙飞国网北京市电力公司北京100075 国网北京市电力公司电力科学研究院北京100075

针对电能替代终端能源评价方法中存在的效率低、精确度不高等问题,提出一种基于深度学习思想的电能替代终端能源的评价模型。重新设计最优RBM训练算法,提出增量反馈的模型优化迭代策略,优化模型训练参数的初始化赋值,提升电能替代终端... 详细信息

针对电能替代终端能源评价方法中存在的效率低、精确度不高等问题,提出一种基于深度学习思想的电能替代终端能源的评价模型。重新设计最优RBM训练算法,提出增量反馈的模型优化迭代策略,优化模型训练参数的初始化赋值,提升电能替代终端能源评价效率和精确度。实验结果表明,对比其它优化算法模型,增量反馈的RBM在抽取和表现特征方面,能够很好将样本的本质特征体现出来,取得了更加高效和准确的评价结果。

关键词：电能替代增量反馈受限玻尔兹曼机评价模型终端能源