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PARTICLE METHODS FOR COMPLEX FLOWS IN CHEMICAL ENGINEERING ——THE PSEUDO-PARTICLE APPROACH

Particuology 2005年第Z1期 58-59页

作者： Wei GE and Jinghai LI Multi-Phase Reaction Laboratory, institute of Process Engineering, chinese {2. of Sciences,{3., P. R. China

The multi-scale structures of complex flows in chemical engineering have been great challenges to the design and scaling of such systems, and multi-scale modeling is the natural way in response. Particle methods (PMs) are ideal constituents and powerful tools of multi-scale models, owing to their physical fidelity and computational simplicity. Especially, pseudo-particle modeling (PPM, Ge & Li, 1996; Ge & Li, 2.03. is most suitable for molecular scale flow prediction and exploration of the origin of multi-scale structures; macro-scale PPM (MaPPM, Ge & Li, 2.01) and similar models are advantageous for meso-scale simulations of flows with complex and dynamic discontinuity, while the lattice Boltzmann model is more competent for homogeneous media in complex geometries; and meso-scale methods such as dissipative particle dynamics are unique tools for complex fluids of uncertain properties or flows with strong thermal fluctuations. All these methods are favorable for seamless interconnection of models for different scales. However, as PMs are not originally designed as either tools for complexity or constituents of multi-scale models, further improvements are expected. PPM is proposed for microscopic simulation of particle-fluid systems as a combination of molecular dynamics (MD) and direct simulation Monte-Carlo (DSMC). The collision dynamics in PPM is identical to that of hard-sphere MD, so that mass, momentum and energy are conserved to machine accuracy. However, the collision detection procedure, which is most time-consuming and difficult to be parallelized for hard-sphere MD, has been greatly simplified to a procedure identical to that of soft-sphere MD. Actually, the physical model behind such a treatment is essentially different from MD and is more similar to DSMC, but an intrinsic difference is that in DSMC the collisions follow designed statistical rules that are reflection of the real physical processes only in very limited cases such as dilute gas. PPM is idea

关键词： multi-scale method particle method pseudo-particle modeling multi-phase flow

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Mobile Internet Oriented 3. Teleco 2.0

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ZTE Communications 2009年第4期7卷 13-15页

作者： Hou Ziqiang (institute of Acoustics , chinese {2. of Science ,{3. , P . R . China )

Mobile Internet will be the killer application of 3.. For the mobile Internet, the business model of telecom operators has to evolve to Teleco2.0. IP Multimedia Subsystem (IMS) will be used mainly for VIP and enterprise customers. mass-oriented entertainment and new media services will be based on the Intelligent Node Overlay Node (INON)/Distributed Service Network (DSN). The core network will be flat, with an evolution route from Internet High Speed Packet Access (I-HSPA) to System Architecture Evolution (SAE), and even the Internet can be used as the core network. The low-cost mobile phone can be accessed to HTTP Internet by using 'client end software + portal'model with cloud computing. Flat rate will be the only fee model to be accepted by customers, and cheap and reasonable prices will contribute to the development of mobile Internet.

关键词： HSPA Access IMS SGSN Mobile Internet Oriented 3. Teleco 2.0 DSN RNC IP

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Levels and distributions of polychlorinated biphenyls in sewage sludge of urban wastewater treatment plants

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Journal of Environmental Sciences 2009年第4期21卷 468-473页

作者： GUO Li, ZHANG Bing, XIAO Ke, ZHANG Qinghua, ZHENG Minghui State Key Laboratory of Environmental chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, {2. {3. of Sciences,beijing 100085, China [a]State Key Laboratory of Environmental chemistry and Ecotoxicology Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing 100085 China

Concentrations of polychlorinated biphenyls （PCBs） have been measured in sewage sludge samples from 8 urban wastewater treatment plants in beijing, China. The PCB congeners were analyzed by isotope dilution high resolution gas chromatography/high resolution mass {2. method. The concentration of PCBs ranged from 65.6 to 157 ng/g dry weight （dw）, with a mean value of 101 ng/g dw. The dioxin-like PCB WHO-TEQs （World Health Organization-Toxic Equivalents） of the sludge were lower than 1 pg /g dw. Consequently, all the concentrations of PCBs in sludge samples were below the upper limit for land application according to the {3. legislation law for agriculture use. The PCB homologue profiles in sludge samples were dominated by tri-CBs and tetra- CBs. Similar distributions have been found in one of the {3. PCB commercial products. The patterns of dioxin-like and indicator congeners observed in this study were quite similar in all samples. The predominant congener for dioxin-like and indicator PCBs were PCB-118 and PCB-2., respectively, while PCB-12. had the highest TEQ value.

关键词： polychlorinated biphenyls wastewater treatment plant sewage sludge distribution

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Pharmacokinetics of sifuvirtide, a novel anti-HIV-1 peptide, in monkeys and its inhibitory concentration in vitro1

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Acta Pharmacologica Sinica 2005年第10期26卷 1274-1280页

作者： Shu-jia DAI~2. Gui-fang DOU~3. Xiao-hong QIAN~(4,5), Hai-feng SONG~4, Zhong-ming TANG~2. De-sheng LIU~2. Xiu-wen LIU~2. Liu-meng YANG~6, Yong-tang ZHENG~6, Qing LIANG~7 ~2.Laboratory of Metabolism of Biotechnology Derived Drugs, beijing institute of Radiation Medicine, beijing 100850 ~3.Laboratory of Drug Metabolism and Pharmacokinetics, beijing institute of Transfusion Medicine, beijing 100850 ~5 Laboratories of Genomics and Proteomics, beijing institute of Radiation Medicine, beijing 100850 ~6 Laboratory of Molecular hnmunopharmacology, Kunming institute of Zoology, chinese academy of Sciences, Kunming 6502.3.~7 FusoGen Pharmaceuticals Inc, Tianjin 3.0051, China LaboratoryofMetabolismofBiotechnologyDerivedDrugs BeijingInstituteofRadiationMedicineBeijing100850 LaboratoryofDrugMetabolismandPharmacokinetics BeijingInstituteofTransfusionMedicineBeijing100850

Aim: To study the pharmacokinetics of sifuvirtide, a novel anti-human immunodeficiency virus （HIV） peptide, in monkeys and to compare the inhibitory concentrations of sifuvirtide and enfuvirtide on HIV-1-infected-cell fusion. Methods: Monkeys received 1.2.mg/kg iv or sc of sifuvirtide. An on-line solid-phase extraction procedure combined with liquid chromatography tandem mass spectrometry （SPELC/MS/MS） was established and applied to determine the concentration of sifuvirtide in monkey plasma. A four-12.I iodinated peptide was used as an internal standard. Fifty percent inhibitory concentration (IC50) of sifuvirtide on cell fusion was determined by co-cultivation assay. Results: The assay was validated with good precision and accuracy. The calibration curve for sifuvirtide in plasma was linear over a range of 4.88-5000μg/L, with correlation coefficients above 0.992.. After iv or sc administration, the observed peak concentrations of sifuvirtide were 10 62.±2.886μg/L and 52.±191μg/L, and the terminal imination half-lives (T1/2. were 6.3.0.9 h and 5.5±1.0 h, respectively. After sc, Tmaxwas 0.2.-2., and the absolute bioavailability was 49%±13.. Sifuvirtide inhibited the syncytium formation between HIV-1 chronically infected cells and uninfected cells with an IC50of 0.3.μg/L. Conclusion: An on-line SPE-LC/MS/MS approach was established for peptide pharmacokinetic studies. Sifuvirtide was rapidly absorbed subcutaneously into the blood circulation. The T1/2.f sifuvirtide was remarkably longer than that of its analog, enfuvirtide, reported in healthy monkeys and it conferred a long-term plasma concentration level which was higher than its IC50in vitro.

关键词： sifuvirtide pharmacokinetics HIV HIV fusion inhibitors enfuvirtide on-line solid-phase extraction macaque

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Experimental Study of the Overheating Decomposition Products of Perfluorocarbon Used in Evaporative Cooling Transformers

Experimental Study of the Overheating Decomposition Products...

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第11届国际电机与系统学术会议

作者： Feng Zhang~1 Guoqiang Zhang~2.Wenhao Niu~2.Xin Wang~2.1 Graduate School of {3. academy of Sciences {2. 100190 China 2.{3. of Electrical Engineering {3. academy of Sciences {2. 100190 China

＜正＞Evaporative cooling power transformers with perfluorocarbon as coolant and dielectric is a new kind of power transmission and distribution equipment To lay the foundation for safety operation and maintenance,as well as fault diagnosis,an overheating experimental model of perfluorocarbon in the two-phase flow was designed,the decomposition products were analyzed by means of gas chromatography/mass spectrometry（GC/MS）,and the toxicity of those products was identified by searching the toxicity database.

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氨基甲酸酯热分解法制备对氯苯基异氰酸酯

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石油化工 2009年第1期38卷 52-57页

作者：戴云生王越王庆印刘良明王公应中国科学院成都有机化学研究所四川成都610041 中国科学院研究生院北京100049 常州化学研究所江苏常州213164

对氨基甲酸酯热分解法制备对氯苯基异氰酸酯(4CPI)的工艺进行了研究。以对氯苯胺和碳酸二甲酯为原料,合成了热分解前体对氯苯基氨基甲酸甲酯(M4CPC);通过核磁共振氢谱、傅里叶变换红外光谱和热重分析对M4CPC的结构和性能进行了表征,确... 详细信息

对氨基甲酸酯热分解法制备对氯苯基异氰酸酯(4CPI)的工艺进行了研究。以对氯苯胺和碳酸二甲酯为原料,合成了热分解前体对氯苯基氨基甲酸甲酯(M4CPC);通过核磁共振氢谱、傅里叶变换红外光谱和热重分析对M4CPC的结构和性能进行了表征,确定了适宜的M4CPC热分解温度为150～2.0℃。常压下对M4CPC热分解溶剂的考察结果表明,高介电常数的有机溶剂对M4CPC的分解比较有利。M4CPC热分解制备4CPI的主要副产物为N,N′-双(4-氯苯基)脲。以低毒的N,N′-二甲基乙酰胺为溶剂,在M4CPC的摩尔分数为10%、催化剂用量为m(Bi2.3.∶m(M4CPC)=0.05、反应温度162.164℃、反应时间1h的优化条件下,M4CPC的转化率为90.4%,4CPI的选择性为66.0%。

关键词：对氯苯基异氰酸酯氨基甲酸酯对氯苯胺碳酸二甲酯热分解

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Uptake kinetics of 3.buten-1-ol,4-penten-1-ol and 3.methy1-3.buten-1-ol into sulfuric acid solutions

Uptake kinetics of 3-buten-1-ol,4-penten-1-ol and 3-methy1-3...

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中国科学院地质与地球物理研究所第11届（2.11年度）学术年会

作者： XU ZhiFang~(1,2.,LIU Ze~2.GE MaoFa~(2.) & WANG WeiGang~2.1 Key Laboratory of Engineering Geomechanics,institute of Geology and Geophysics,chinese {2. of Sciences,{3. 10002.,China 2.State Key Laboratory for Structural chemistry of Unstable and Stable Species,{3. National Laboratory for Molecular Sciences institute of chemistry,chinese {2. of Sciences,{3. 100190,China

Unsaturated alcohols are important components in complex mixtures of oxygenated volatile organic compounds,and play a significant role in atmospheric *** uptake kinetics of 3.buten-l-ol(B03.),4-penten-1-ol(P041) and 3.methyl- 3.buten-1-ol(MB03.1) into 2. wt%-80 wt%HSO solutions were studied,using a rotated wetted-wall reactor coupled to a differentially pumped single-photon ionization time of flight mass spectrometer(SPI-TOFMS).With increasing acidity,the uptake processes changed from reversible to irreversible(reactive).Reactive uptake was observed in 60 wt%-80 wt%,50 wt%-80 wt% and 3. wt%-80 wt%HSO solutions for B03.,P041 and MB03.1,*** uptake coefficients were acquired and are reported here for the first *** order followed the trend:B03.

关键词： heterogeneous reaction unsaturated alcohols reactive uptake coefficients sulfuric acid OVOCs

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Proteomic analysis of mitochondria reveals a metabolic switch from fatty acid oxidation to glycolysis in the failing heart

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Science China(Life Sciences) 2009年第11期52卷 1003-1010页

作者： WANG Jun1,2. BAI Ling1,2. LI Jing3. SUN ChaoFeng1,2. ZHAO Jin1, CUI ChangCong1,2. HAN Ke1,2. LIU Yu1,2. ZHUO XiaoZhen1,2. WANG TingZhong1,2. LIU Ping1,2. FAN FenLing1,2. GUAN YouFei3.& MA AiQun1,2.1 Department of Cardiology, First affiliated hospital of medical college of Xi’an Jiaotong University, Xi’an 710061, China 2.Ion Channel Disease Laboratory, Key Laboratory of Environment and Genes Related to Diseases of Education Ministry, Xi’an 710061, China 3.Department of Physiology and Pathophysiology Key Laboratory of Molecular Cardiovascular Sciences of the Ministry of Education, Peking University Health Science Center, {13. 100083. China 1. Department of Cardiology First affiliated hospital of medical college of Xi’an Jiaotong University Xi’an 710061 China 2. Ion Channel Disease Laboratory Key Laboratory of Environment and Genes Related to Diseases of Education Ministry Xi’an 710061 China 3. Department of Physiology and Pathophysiology Key Laboratory of Molecular Cardiovascular Sciences of the Ministry of Education Peking University Health Science Center Beijing 100083 China

This work characterizes the mitochondrial proteomic profile in the failing heart and elucidates the molecular basis of mitochondria in heart failure. Heart failure was induced in rats by myocardial infarction, and mitochondria were isolated from hearts by differential centrifugation. Using two-dimensional gel electrophoresis and matrix-assisted laser desorption/ionization-time of flight mass spectrometry, a system biology approach was employed to investigate differences in mitochondrial proteins between normal and failing hearts. mass spectrometry identified 2. proteins differentially expressed that involved in energy metabolism. Among those, the up-regulated proteins included tricarboxylic acid cycle enzymes and pyruvate dehydrogenase complex subunits while the down-regulated proteins were involved in fatty acid oxidation and the OXPHOS complex. These results suggest a substantial metabolic switch from free fatty acid oxidation to glycolysis in heart failure and provide molecular evidence for alterations in the structural and functional parameters of mitochondria that may contribute to cardiac dysfunction during ischemic injury.

关键词： mitochondria heart failure proteome two-dimensional electrophoresis energy metabolism

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Development of the universal and simplified soil model coupling heat and water transport

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Science China Earth Sciences 2008年第1期51卷 88-102页

作者： LI Qian1,2.& SUN ShuFen1 1 State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics, institute of Atmospheric Physics, chinese {2. of Sciences, {3. 10002., China 2.Graduate University of the chinese {2. of Sciences, {3. 100049, China State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics Institute of Atmospheric Physics Chinese Academy of Sciences Beijing 100029 China Graduate University of the chinese academy of Sciences Beiji

It is very important to develop a universal soil model with higher simplicity and more accuracy, which can be widely applied to very general cases such as wet or dry soil, frozen or unfrozen soil and homogeneous or heterogeneous soil. Firstly in this study, based on analysis of both magnitude order and the numerical simulation results, the universal and simplified soil model (USSM) coupling heat and mass transport processes is developed. Secondly, in order to avoid the greater uncertainty caused by the phase change term in numerical iteration process for the model solution obtaining, new version of the universal simplified soil model (NUSSM) is further derived through variables transformation, and accordingly a more efficient numerical scheme for the new version is designed well. The simulation results from the NUSSM agree with the results from more complicated and accurate soil model very well, also reasonably reproduce the observed data under widely real conditions. The new version model, because of its simplicity, will match for the development of land surface model.

关键词： universal and simplified soil model coupled heat and mass transport processes frozen soil arid soil heterogeneous soil

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Replacement of inner cell mass in mouse

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chinese Science Bulletin 2003年第13期48卷 1347-1351页

作者： BI Chunming, WEN Duancheng, XU Ying, SUN Qingyuan & CHEN Dayuan State Key Laboratory of Reproductive Biology, institute of Zoology,chinese {2. of Sciences,{3., China Correspondence should be addressed to Chen Dayuan(e-mail: chendy@ ***) State Key Laboratory of Reproductive Biology Institute of Zoology Chinese Academy of Sciences China

The intra- or inter-strain reconstitutedblastocysts were produced by replacing the inner cell mass of Kunming mouse blastocysts with that of Kunming orC57BL/6 mouse strain blastocysts. A total of 192.intra-strain reconstituted blastocysts were transferred into 17pseudopregnant Kunming mice, and 2.reconstituted embryos were developed into term; while 115 inter-strain reconstituted blastocysts were produced, analysis of thereconstituted blastocysts showed that the morphology andcytoskeleton srtucture of the blastocysts were not differentfrom those of normal blastocysts, however, no viableoffspring was obtained after embryo transfer for these inter-strain reconstituted blastocysts. The resultsdemonstrated that the intra-strain reconstituted blastocystscould normally develop into term, whereas the inter-strain reconstituted blastocysts possessed less developmental potential as the intra-strain reconstituted blastocysts. Thisstudy may give light to solve the problem of low implantation rate and placenta abnormality in mammal cloning.

关键词：内细胞群细胞替代老鼠再生胚泡形态学克隆技术

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