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AN AB INITIO N_(2)-H_(2)O POTENTIAL FOR COMPUTER SIMULATIONS

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Chinese Chemical Letters 1995年第2期6卷 169-172页

作者： jian De gu Jing Lai ZHANG An Min TIAN guo Sen YAN Chemistry Dept.of Sichuan University Chengdu 610064

N2-H2O system was studied by ab initio SCF calculations with a 6-31G** basis set. The results were fitted to an analytical funotion assuming psirwise additivity for the interaction between individual centres. The analytical functions were Lennard-Jones 10-6 and exponential form. A satisfactory fitting result was achieved by the simulated anneal algorithm. Special care was paid to repulsive region, which gives the important contribotions to the formation of the first solvation shell of apoler solutes.

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Intelligent identifi cation method for near-surface ground fi ssures based on seismic data

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Applied Geophysics 2020年第5期17卷 639-648,899页

作者： Shi Su-Zhen gu jian-Ying Feng jian Duan Pei-fei Qi You-chao Han Qi State Key Laboratory for Coal Resources and Safety Mining China University of Mining and Technology(Beijing)Beijing 100083China College of Geoscience and Surveying Engineering China University of Mining Technology(Beijing)Beijing 100083China Zhongshui North Survey Design and Research Co.Ltd.

Taking a study area in Jinzhong Basin in Qixian County,Shanxi Province,as an example,this work performs an intelligent interpretation of ground *** the basis of a complete analysis of the regional geological background in the study area,dip-steering cube operation and median filtering of seismic data were performed using fast Fourier transform to improve the continuity of seismic events and eliminate random noise.A total of 200 stratigraphic continuous sample training points and 500 discontinuous training points were obtained from the processed seismic ***,a variety of attributes(coherence,curvature,amplitude,frequency,etc.)were extracted as the input for the multilayer perceptron neural network *** the training period,the training results were traced by normalized root mean square error(RMSE)and misclassifi *** training results showed a downward trend during the training *** misclassifi cation curve was stable at 0.3,and the normalized RMSE curve was stable at *** the value of the normalized RMSE curve reached the minimum,the training was terminated,and the training results were extended to the whole data volume to obtain the attribute cube of intelligent ground fi ssure *** characteristics of ground fi ssures were analyzed and identifi ed from the sections and slices.A total of 11 ground fissures were finally *** interpretation results showed that the dip angles were 60°-85°,the fault throws were 0-43 m,and the extension lengths were 300-1,100 m in the whole *** strike of 73%of the ground fi ssures was consistent with the direction of the regional tectonic *** cally,four ground fi ssures coincided with the surface disclosed,and the verifi cation rate reached 100%.In conclusion,the intelligent ground fi ssure detection attribute based on the dip-steering cube is eff ective in predicting the spatial distribution of ground fi ssures.

关键词： neural network ground fi ssures development area dip-steering cube intelligent ground fi ssure detection attribute

Stable Cycling of All-Solid-State Lithium Batteries Enabled by Cyano-Molecular Diamond Improved Polymer Electrolytes

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Nano-Micro Letters 2024年第10期16卷 561-575页

作者： Yang Dai Mengbing Zhuang Yi-Xiao Deng Yuan Liao jian gu Tinglu Song Hao Yan Jin-Cheng Zheng Department of Chemical Engineering Shanghai UniversityShangda Road 99Shanghai 200444People's Republic of China Department of Physics Xiamen UniversityXiamen 361005People's Republic of China Experimental Center of Advanced Materials School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081People's Republic of China Department of Physics and Department of New Energy Science and Engineering Xiamen University Malaysia43900 SepangMalaysia

The interfacial instability of the poly(ethylene oxide)(PEO)-based electrolytes impedes the long-term cycling and further application of all-solid-state lithium metal *** this work,we have shown an effective additive 1-adaman-tanecarbonitrile,which con-tributes to the excellent per-formance of the poly(ethylene oxide)-based *** to the strong interaction of the 1-Adamantanecarboni-trile to the polymer matrix and anions,the coordination of the Li^(+)-EO is weakened,and the binding effect of anions is strengthened,thereby improving the Li^(+)conductivity and the electrochemical *** diamond building block on the surface of the lithium anode can sup-press the growth of lithium ***,the 1-Adamantanecarbonitrile also regulates the formation of LiF in the solid electrolyte interface and cathode electrolyte interface,which contributes to the interfacial stability(especially at high voltages)and protects the electrodes,enabling all-solid-state batteries to cycle at high voltages for long periods of ***,the Li/Li symmetric cell undergoes long-term lithium plating/stripping for more than 2000 h.1-Adamantanecarbonitrile-poly(ethylene oxide)-based LFP/Li and 4.3 V Ni_(0.8)Mn_(0.1)Co_(0.1)O_(2)/Li all-solid-state batteries achieved stable cycles for 1000 times,with capacity retention rates reaching 85%and 80%,respectively.

关键词： 1-Adamantanecarbonitrile(ADCN) Poly(ethylene oxide) All-solid-state batteries Interfacial stability High voltage

Visualizing Material Processing via Photoexcitation-ControlledOrganic-Phase Aggregation-Induced Emission

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Research 2021年第1期2021卷 1402-1412页

作者： jian gu Bingbing Yue Glib V.Baryshnikov Zhongyu Li Man Zhang Shen Shen HansÅgren Liangliang Zhu State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200438China College of Science University of Shanghai for Science and TechnologyShanghai 200093China Division of Theoretical Chemistry and Biology School of Biotechnology KTH Royal Institute of TechnologySE-10691 StockholmSweden Department of Physics and Astronomy Uppsala UniversityBox 516SE-75120 UppsalaSweden

Aggregation-induced emission(AIE)has been much employed for visualizing material aggregation and ***,water is generally required for the preparation of the AIE aggregates,the operation of which limits numerous material processing *** hexathiobenzene-based small molecules,monopolymers,and block copolymers as different material prototypes,we herein achieve AIE in pure organic phases by applying a nonequilibrium strategy,photoexcitationcontrolled *** strategy enabled a dynamic change of molecular conformation rather than chemical structure upon irradiation,leading to a continuous aggregation-dependent luminescent enhancement(up to~200-fold increase of the luminescent quantum yield)in organic *** by the materialization of the nonequilibrium strategy,photoconvertible self-assemblies with a steady-state characteristic can be achieved upon organic solvent *** visual monitoring with the luminescence change covered the whole solution-to-film transition,as well as the in situ photoprocessing of the solid-state materials.

关键词： excitation aggregation nonequilibrium

Preparation of high-efficiency ceramic planar membrane and its application for water desalination

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Journal of Advanced Ceramics 2018年第2期7卷 117-123页

作者： Shan TAO Yan-Dong XU jian-Qiang gu Hamidreza ABADIKHAH Jun-Wei WANG Xin XU Sinopec Northwest Oilfield Branch Research Institute of Petroleum Engineering CAS Key Laboratory of Materials for Energy Conversion Department of Materials Science and EngineeringUniversity of Science and Technology of China

Highly efficient Si3N4 ceramic planar membrane for water desalination process using membrane distillation was prepared by the dual-layer phase inversion tape casting and sintering method. In comparison with typical phase inversion tape casting method, the green tape was formed using Si3N4 slurry on the top and graphite slurry on the bottom. After consuming away the graphite structure, a ceramic membrane consisting of a two-layered structure （skin and finger-like layers） was obtained. The skin layer was relatively tight, and thus could act as a functional layer for separation, while the finger-like layer contained straight open pores with a diameter of 100 gm, acting as a support with low transport resistance. For comparison, typical Si3N4 ceramic membrane was fabricated by phase inversion technique without graphite substrate, resulting in a three-layered structure （skin, finger-like, and sponge layers）. After membrane modification from hydrophilic to hydrophobic with polymer derived nanoparticle method, the water desalination performance of the membranes was tested using the sweeping gas membrane distillation （SGMD） with different NaC1 feed solutions. With the increase of salt content from 4 to 12 wt%, the water flux decreased slightly while rejection rate maintained over 99.99%. Comparing with typical three-layered Si3N4 membrane, an excellent water flux enhancement of over 83% was resulted and the rejection rate remained over 99.99%.

关键词： dual-layer phase inversion tape casting graphite full-inorganic hydrophobic membrane membrane distillation

Celastrus orbiculatus Extract Inhibits Immune Inflammatory Thrombotic State of B-Lymphoma

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Chinese Journal of Integrative Medicine 2024年第11期30卷 1018-1026页

作者： ZHU Miao SHI Qing-qing NI Jun WU Wei SUN Xing SUN Mei XU Kai-lin LIU Yan-qing gu jian gu Hao Department of Hematology Clinical Medical CollegeYangzhou UniversityYangzhouJiangsu Province 225001China Yangzhou Institute of Hematology YangzhouJiangsu Province 225001China Department of Hematology The Affiliated Hospital of Xuzhou Medical UniversityXuzhouJiangsu Province 221000China Department of Oncology The Affiliated Hospitalof Yangzhou UniversityYangzhou UniversityYangzhouJiangsu Province 225001China Department of Neurology The Affiliated Brain Hospital of Nanjing Medical UniversityNanjing 210000China

Objective:To investigate the inhibitory effect of Celastrus orbiculatus extracts(COE)on the proliferation of lymphoma cells and the immune regulation ability on inflammation and thrombophilia in ***:The 38B9 lymphoma cells were treated with COE(160μg/mL)and CTX(25μmol/L).The apoptosis rate and cell cycle of each group were detected by flow *** secretion of inflammatory factors,including interleukin(IL)-6,IL-10,and tumor necrosis factorα(TNF-α),in cell supernatant was detected by enzyme-linked immunosorbent assay(ELISA).In vivo,BALB/c mice were subcutaneously injected with 38B9 lymphoma cells to establish lymphoma ***(3 mg·kg^(-1)·d^(-1))and CTX(40 mg·kg^(-1)·d^(-1))were administered to the model mice,*** expression of plasma inflammatory factors(IL-6,IL-10 and TNF-α)and thrombus indexes,including D-dimer(D-D),von Willebrand factor(vWF)and tissue factor(TF),were detected by ELISA before tumor bearing(1 d),after tumor formation(14 d)and after intervention(21 d).PicoGreen dsDNA was used to detect the level of serum neutrophil extracellular traps(NETs).Flow cytometry was used to detect the expression of platelet activation marker calcium-dependent lectin-like receptor 2(CLEC-2).The tumor growth and survival of mice were ***:The 38B9 lymphoma cells were apoptotic after the intervention of COE and *** ratio of G_(2)-M phase cells decreased in COE intervented cells compared with the control cells(P<0.05),and S phase cells decreased in CTX intervented cells(P<0.05).Also,the secretion level of IL-6 was significantly reduced after COE or CTX intervention(P<0.05),and IL-10 was significantly increased(P<0.05).Furthermore,the tumor mass was reduced,and the median survival time was longer in COE and CTX intervented tumor-bearing mice than in non-intervented *** significantly lower levels of TNF-α,IL-6,NETs,TF,DD and CLEC-2,as well as higher IL-10 were observed in COE and CTX treatment mice in comparision with the control

关键词： Celastrus orbiculatus extract murine lymphoma cells tumor inflammation thrombotic state immune regulation proliferation inhibition lymphoma

ENZYME REACTION IN AQUEguB-ORGANIC BYSTEM —KINETIC RESOLUTION OP RACEMIC OXIRANECARBOXYLIC ESTERS WITH LIPASE

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Chinese Chemical Letters 1992年第3期3卷 173-174页

作者： jian Xing gu Zu Yi LI Shanghai Institute of Organic Chemistry Academia Sinica345 Lingling LuShanghai 200032

The chiral oxiranecarboxylic acids or esters 2a-e were obtained with lipase (CCL) in aqueous-organic *** ee and the absolute configurations of the products were determined.

关键词： Miller Co OP KINETIC RESOLUTION OP RACEMIC OXIRANECARBOXYLIC ESTERS WITH LIPASE ENZYME REACTION IN AQUEguB-ORGANIC BYSTEM

Controlled synthesis of Ce(OH)CO_3 flowers by a hydrothermal method and their thermal conversion to CeO_2 flowers

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Particuology 2012年第6期10卷 771-776页

作者： Dongen Zhang Feng Li jian gu Qing Xie Shanzhong Li Xiaobo Zhang guiquan Han Ailing Ying Zhiwei Tong Department of Chemical Engineering Huaihai Institute of Technology SORST Japan Science and Technology Agency(JST)Japan College of Chemistry China University of Mining and Technology

Highly uniform Ce（OH）CO3 flowers were successfully prepared in large quantities using a facile hydrothermal approach from the reaction of Ce（NH4）（NO3）4 with CO（NH2）2 at 160℃ in a water-N2H4 complex. The influences of the N2H4 content and temperature on flower formation were discussed. CeO2 flowers were prepared by thermal conversion of Ce（OH）CO3 flowers at 500 ℃ in air. Both Ce（OH）CO3 and CeO2 flowers were characterized by X-ray powder diffraction （XRD）, and scanning electron microscopy （SEM）. The UV-vis adsorption spectrum of the CeO2 flowers showed that the band gap energy （Eg） is 2.66 eV, which is lower than that of bulk ceria.

关键词： Crystal growth Flowers Self-assembly

Transurethral assistant transumbilical laparoendoscopic single-site radical prostatectomy

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Asian Journal of Andrology 2017年第4期19卷 473-476页

作者： Chen Zhu jian Su Lin Yuan Yang Zhang Zi-Jie Lu Yun Su Ning-Hong Wang Xiao-jian gu Qing-Yi Zhu Department of Urology Affiliated Hospital of Nanjing University of Traditional Chinese Medicine Nanjing China.

The laparoendoscopic single-site （LESS） technique is the latest technical innovation in laparoscopic surgery to undergo exponential development in urology. This study undertaken to illustrate our initial experience LESS radical prostatectomy （RP） and analyze early outcomes. Nineteen patients diagnosed with prostate cancer underwent LESS-RP in our institute. The patients were divided into two groups： conventional LESS and transurethral assistant LESS. Preoperative, perioperative, postoperative, pathologic, and functional outcomes data were assessed. With the help of a transurethral assistant, the mean operation and anastomosis time were decreased markedly. No focal positive margins were encountered. No prostate-specific antigen recurrence was detected 1 month postoperatively. Complete continence recovery （no pad） was observed in 32% of the patients at 1 month after the operation. No intraoperative and postoperative complications were reported, LESS-RP is a feasible and effective surgical procedure for treatment of prostate cancer. Moreover, transurethral assistant LESS could reduce the difficulty of LESS-RP and shorten the operation time.

关键词： laparoendoscopic single-site surgery prostate cancer transurethral assistant