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Predicting Glass Transition Temperature of Polyethylene/Graphene Nanocomposites by Molecular Dynamic Simulation

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Chemical Research in Chinese Universities 2013年第4期29卷 788-792页

作者： SHENG Yan-zhen YANG Hua LI jun-yin SUN Miao Tianjin Key Laboratory of Structure and Performance for Functional Molecules Key Laboratory of Inorganic-organic Hybrid Functional Material Chemistry Ministry of Education College of Chemistry Tianjin Normal University Tianjin 300387 P. R. China School of Chemical and Environmental Engineering Harbin University of Science and Technology Harbin 150080 P. R. China

The glass transition temperature of polyethylene/graphene nanocomposites was investigated by molecular dynamic simulation. The specific volumes of three systems（polycthylene, polyethylene with a small graphene sheet and two small graphene sheets） were examined as a function of temperature. We found that the glass transition temperature decreases with increasing graphene. Then the van der Waals energy changes obviously with increasing graphene and the torsion energy also plays an important role in the glass transition of polymer. The radial distribution functions of the inter-molecular carbon atoms suggest the interaction between PE and graphene weakens with increasing graphene. These indicate that graphene can prompt the motion of chain segments of polymer and decrease the glass transition temperature （Tg） of polymer.

关键词： Molecular dynamic simulation Glass transition Polyethylene Graphene

Simultaneous multi-material embedded printing for 3D heterogeneous structures

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International Journal of Extreme Manufacturing 2023年第3期5卷 485-498页

作者： Ziqi Gao jun yin Peng Liu Qi Li Runan Zhang Huayong Yang Hongzhao Zhou State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang UniversityHangzhou 310058People’s Republic of China School of Mechanical Engineering Zhejiang UniversityHangzhou 310058People’s Republic of China Department of Mechanical Engineering Centre for Power Transmission and Motion ControlUniversity of BathBath BA27AYUnited Kingdom

In order to mimic the natural heterogeneity of native tissue and provide a better microenvironment for cell culturing,multi-material bioprinting has become a common solution to construct tissue models in *** the embedded printing method,complex 3D structure can be printed using soft biomaterials with reasonable shape ***,the current sequential multi-material embedded printing method faces a major challenge,which is the inevitable trade-off between the printed structural integrity and printing ***,we propose a simultaneous multi-material embedded printing *** this method,we can easily print firmly attached and high-precision multilayer *** multiple individually controlled nozzles,different biomaterials can be precisely deposited into a single crevasse,minimizing uncontrolled squeezing and guarantees no contamination of embedding medium within the *** analyse the dynamics of the extruded bioink in the embedding medium both analytically and experimentally,and quantitatively evaluate the effects of printing parameters including printing speed and rheology of embedding medium,on the 3D morphology of the printed *** demonstrate the printing of double-layer thin-walled structures,each layer less than 200μm,as well as intestine and liver models with 5%gelatin methacryloyl that are crosslinked and extracted from the embedding medium without significant impairment or *** peeling test further proves that the proposed method offers better structural integrity than conventional sequential printing *** proposed simultaneous multi-material embedded printing method can serve as a powerful tool to support the complex heterogeneous structure fabrication and open unique prospects for personalized medicine.

关键词： embedded printing multi-material printing printability soft materials heterogeneous structures

Finite element simulation of real cavity closure in cast Ti6Al4V alloy during hot isostatic pressing

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China Foundry 2022年第1期19卷 55-62页

作者： Qian Xu Wen Li Ya-jun yin Jian-xin Zhou Hai Nan State Key Laboratory of Materials Processing and Die and Mould Technology Huazhong University of Science and TechnologyWuhan 430074China AECC Beijing Institute of Aeronautical Materials Beijing 100095China

The healing behavior of shrinkage cavity inside the cast Ti6Al4V alloy during hot isostatic pressing(HIP)was investigated experimentally by interrupted hot isostatic pressing *** X-ray micro computed tomography was used to record the morphology changes before and after hot isostatic *** two-dimensional geometry obtained by the microCT scan was used in simulation to study the evolution of the real shrinkage cavity during hot isostatic *** cavities,shrinkage porosity and small gas pores can be effectively eliminated under proper HIP *** two-dimensional morphology in the simulation results agrees well with the experimental *** study reveals that plastic deformation,creep and diffusion are the main mechanisms of cavity closure during hot isostatic *** addition,the simplified elliptical pores with aspect ratios at different positions were used to replace the real pores to further study the factors affecting the position of dimples after HIP by *** is found that the position of the dimples mainly depends on the aspect ratio of the elliptical pore and the distance between the pore surface and the external surface of the geometric model.

关键词： cast Ti6Al4V alloy hot isostatic pressing shrinkage cavity simulation closure behavior

Heptamethine cyanines in bioorthogonal chemistry

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Chinese Chemical Letters 2024年第2期35卷 131-137页

作者： Yuanyuan Liao Yuting Liang Yurou Huang Xiaoyan Zeng Tian He jun yin National Key Laboratory of Green Pesticide International Joint Research Center for Intelligent Biosensor Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan 430079China

Due to their excellent fluorescence properties and biological function,cyanine dyes have been widely applied in biological *** cyanine(Cy7)dyes,as a type of classic near-infrared(NIR)fluorescent dyes,are considered as one of the effective fluorescent tools in the living organisms due to their good biocompatibility and very low background *** reactions performed in living cells and tissues have developed by leaps and bounds in recent *** NIR fluorescent labeling technique involving cyanine has attracted widespread *** review summarizes their recent application in the field of bioorthogonal imaging,mainly concluding Cy7-type dyes,labeling strategy,bioimaging application,*** expect this work can provide some helps for the studies of NIR bioorthogonal reaction in vivo.

关键词： Fluorescent probes Heptamethine cyanines Bioorthogonal reaction Imaging Cell

Light-and Heat-Controlled Formation of Osmanaphthalenes and Osmanaphthalynes

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Chinese Journal of Chemistry 2022年第24期40卷 2853-2860页

作者： Ming-Xing Zhang Xiaofei Yang Zhiqiang Xu jun yin Sheng Hua Liu Key Laboratory of Pesticide and Chemical Biology Ministry of EducationCollege of ChemistryCentral China Normal UniversityWuhanHubei430079 China Hubei Key Laboratory of Purification and Application of Plant Anti-cancer Active Ingredients College of Chemistry and Life ScienceHubei University of EducationWuhanHubei430205 China Key Laboratory for Green Chemical Process of Ministry of Education School of Chemical Engineering and PharmacyWuhan Institute of TechnologyWuhanHubei430205 China

mple and efficient synthesis of metalla-aromatics with tailored distinctive optical,magnetic,redox,and light-emitting properties is attractive yet *** have now successfully synthesized three paramagnetic osmanaphthalenes bearing different electron-donating groups as well as the first osmabenzo[b]carbazole containing an osmanaphthalene unit with four fused rings in good yields by subjecting suitable osmium carbyne precursors to a visible-light-induced *** contrast,the four corresponding diamagnetic cyclic metal carbynes containing an osmanaphthalyne unit were obtained from the same osmium carbyne precursors by a heating *** lowest-energy absorptions of the paramagnetic osmanaphthalenes are red-shifted compared to the corresponding ***,experimental observations including X-ray analysis as well as nucleus-independent chemical shift(NICS),anisotropy of the current-induced density(AICD)calculations revealed these novel osmapolycycles bearing phosphonium substituents to be of aromatic character.

关键词： Metallacycles Aromaticity Osmanaphthalyne Osmanaphthalene Photolysis

Optimal scheduling of zero-carbon park considering variational characteristics of hydrogen energy storage systems

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Global Energy Interconnection 2024年第5期7卷 603-615页

作者： jun yin Heping Jia Laijun Chen Dunnan Liu Shengwei Mei Sheng Wang School of Energy and Electrical Engineering Qinghai UniversityXining 810016P.R.China School of Economics and Management North China Electric Power UniversityBeijing 102206P.R.China Department of Electrical Engineering Tsinghua UniversityBeijing 100084P.R.China School of Engineering Newcastle UniversityNewcastle-upon-TyneNE17RUUK

Zero-carbon parks have broad prospects in carbon *** an energy hub,hydrogen energy storage plays an important role in zero-carbon ***,the nonlinear characteristics of hydrogen energy storage systems(HESSs)have a significant impact on the system ***,considering the variable working condition characteristics of HESSs,a hybrid operation method is proposed for HESS,to support the efficient and economic operation of zero-carbon parks,By analyzing the operating principle of a zero-carbon park with HESS,the system structure framework and variable condition linearization model of the equipment in HESS are ***,considering the energy output characteristics of hydrogen energy storage equipment under variable working conditions,a multimodule hybrid operation strategy is proposed for electrolytic and fuel cells,effectively meeting the thermoelectric load demand of zero-carbon parks in different ***,the economy of the proposed hybrid operation strategy was verified in typical scenarios,using a zero-carbon park embedded with a HESS.

关键词： Zero-carbon park Variational characteristics Hydrogen energy storage Hybrid operation

Design strategies,advances and future perspectives of colon-targeted delivery systems for the treatment of inflammatory bowel disease

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Asian Journal of Pharmaceutical Sciences 2024年第4期19卷 56-84页

作者： Baoxin Zheng Liping Wang Yan Yi jun yin Aihua Liang Key Laboratory of Beijing for Identification and Safety Evaluation of Chinese Medicine Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing 100700China School of Traditional Chinese Material Shenyang Pharmaceutical UniversityShenyang 110016China

Inflammatory bowel diseases(IBD)significantly contribute to high mortality globally and negatively affect patients’qualifications of *** gastrointestinal tract has unique anatomical characteristics and physiological environment ***,certain natural or synthetic anti-inflammatory drugs are associated with poor targeting,low drug accumulation at the lesion site,and other side effects,hindering them from exerting their therapeutic ***-targeted drug delivery systems represent attractive alternatives as novel carriers for IBD *** review mainly discusses the treatment status of IBD,obstacles to drug delivery,design strategies of colon-targeted delivery systems,and perspectives on the existing complementary ***,based on recent reports,we summarized the therapeutic mechanism of colon-targeted drug ***,we addressed the challenges and future directions to facilitate the exploitation of advanced nanomedicine for IBD therapy.

关键词： Colon-targeted drug delivery system Inflammatory bowel disease Design strategy Treatment mechanism Advanced complementary therapy

Fluorescent probes for glucolipid metabolism of bacterial cell wall

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Green Chemical Engineering 2023年第4期4卷 417-426页

作者： Yurou Huang Xiaoxie Ma Caimin Gao Yuan Xie Mingqiang Qiu jun yin Key Laboratory of Pesticide and Chemical Biology Ministry of EducationHubei International Scientific and Technological Cooperation Base of Pesticide and Green SynthesisInternational Joint Research Center for Intelligent Biosensing Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan430079China Guangdong Provincial Key Laboratory of Radioactive and Rare Resource Utilization Shaoguan512026China

Cell wall is a basic component of bacteria that promotes bacteria to adapt the complicated environment as well as play an essential role in antimicrobial *** structure of bacterial cell wall is remarkably rich,and some complex components,such as peptidoglycan,lipopolysaccharide,and peptidoglycan-arabinogalactan et al.,can only be found in ***,the biosynthesis and transfer of these glycolipids are indispensable for bacteria during cell *** the process of biosynthesis and transfer are generally associated with metabolism and sophisticated enzyme ***,how the metabolic process takes place,what role enzymes play in this process and how they function have been major concerns for scientists in this *** significant progresses on fluorescent probes and biological imaging bring opportunity for the studying of metabolism and enzyme mechanisms recently due to its non-invasive and high *** this review,we focused on metabolic fluorescent probes for the detection of glycolipids in bacterial cell wall and highlighted the involving mechanisms and biological application.

关键词： Fluorescent probes Bacteria Cell wall Glucolipid metabolism

Channel effect of the modified powdery mixture of ammonium nitrate and fuel oil

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International Journal of Minerals,Metallurgy and Materials 2010年第5期17卷 519-525页

作者： Chun-ping Wu Lian-sheng Liu Xu-guang Wang Yong Liu yin-jun Wang School of Civil and Environmental Engineering University of Science and Technology Beijing Beijing 100083 China Beijing General Research Institute of Mining and Metallurgy Beijing 100044 China College of Resource and Environmental Engineering Jiangxi University of Science and Technology Ganzhou 341000 China Ordnance Industry Planning Project Institute of China Beijing 100053 China

The modified powdery mixture of ammonium nitrate and fuel oil （MPANFO） is a new breed of industrial explosives developed years ago in China. As one of the important properties of an industrial explosive, the channel effect of MPANFO was reported in this paper. A series of experiments were conducted to determine the channel effect of MPANFO. The blasthole diameter range was estimated to avoid the channel effect of MPANFO. Three empirical formulae for predicting the detonation length of MPANFO were provided in terms of the channel effect. Experiments and theoretical analysis indicate that the channel effect of MPANFO is very serious. The reason why the channel effect of MPANFO is worse than that of other industrial explosives is explained at a theoretical level. In addition, some properties of MPANFO, such as sympathetic distance, detonation velocity and brisance, are determined.

关键词： energetic materials explosives detonation channel effect