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    20 April 2013 Volume 26 Issue 2
      
    Article
    Long-time molecular dynamics simulation of allosteric inhibitor system of HIV-1 protease
    WANG Jia-Lei, MENG Xian-Mei, ZHANG Qiang-Gang, ZHANG Yi-Ci, ZHANG Shao-Long
    J4. 2013, 26(2):  1-6.  doi:10.3976/j.issn.1002-4026.2013.02.001
    Abstract ( )   PDF (2104KB) ( )  
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    We performed 100 nanosecond molecular dynamics simulation for the allosteric inhibitor system and active site inhibitor system of HIV-1 protease on NVIDIA CUDA GPU with new developed force field ff12SB. We also calculated the bind free energy of inhibitor TL-3 and HIV-1 protease with MM-PB/GBSA. Exo site binded fragment 2-methylcyclohexanol is favorable for the binding of inhibitor near the site. The bind free energy of inhibitor TL-3 and protease is -85.78 kcal/mol in allosteric inhibitor system and -79.45 kcal/mol in active site inhibitor system. These results are benefit for the deep learning of the dynamics process of HIV-1 PR, which provides important guidelines for the design of new strong inhibitors.

    Research on the scaleless band of particles escape curves in RIKEN mesoscopic device
    YANG Qin-Nan, ZHANG Yan-Hui, CA Xiang-Ji, SHEN Zhi-Peng, XU Xue-You
    J4. 2013, 26(2):  7-12.  doi:10.3976/j.issn.1002-4026.2013.02.002
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    Particle escape curves have the property of chaotics in a RIKEN mesoscopic device, so these curves are the ideal models to investigate fractals and selfsimilar structures. We found selfsimilar structures of the escape curves and defined them by similar ratio through the research on the chaotic escape curves and the scaleless band. We also discovered that the similar ratio is constant in the same scaleless band by the comparisons among different selfsimilar structures. We further acquired the linear relationship between the similar ratios and fractal dimensions of the escape curves. Similar ratio is therefore a means to quantitatively describe the scaleless band and chaotic behaviors. This provides a new method to characterize the chaotic property of a mesoscopic system.

    Characteristics of composite vortex formed by overlay of two annulus vortexes
    WANG Wen-Lei, XU Jian-Bo, ZHOU Li-Feng, HAN Long, SONG Xiao-Fang
    J4. 2013, 26(2):  13-17.  doi:10.3976/j.issn.1002-4026.2013.02.003
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    We address the composite vortex superposed by two annulus vortexes with numerical simulation, whose background beam is Gaussian beam. We further present a graphical method to get the position of collinear superposition vortex, by which we can obtain the accurate distribution characteristics of the vortex position. Results show that the singularities and intensity distribution of the composite optical vortices will change with topological charge value and beam waist radius.

    Research advances of visible-light sensitized europium luminescence complex
    XUE Fu-Min, CHENG Chuan-Ge, HAN Shu-Xin, LI Fu-Wei, LIU Jing, DING Shang-Zhi
    J4. 2013, 26(2):  19-28.  doi:10.3976/j.issn.1002-4026.2013.02.004
    Abstract ( )   PDF (1409KB) ( )  
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    Sensitized luminescence of lanthanide ions has been a research focus in the field of organic lanthanide luminescence. Visible-light excitation has such positives as efficient interference reduction of background fluorescence and  damage reduction to biological tissue in the fields of live bioimaging and fluorescent immunoassay, as compared with ultraviolet excitation. Visible-light excitated organic europium complex luminescence has been received attention in the research on the preparation of lanthanide probe. Trivalent europium complex can obtain higher luminescence quantum yield and its characterized emission light is red in the above complexes, so such complexes excite much more research interest in the applications of imaging and immunoassay. This paper reviews the luminescent mechanism, the species of sensitized ligands and luminescence properties of visible-light excitated organic europium complex in recent years.  The paper also analyzes the impacts of different sensitized ligands on the properties of lanthanide ion complexes luminescence, and points out how to synthesize organic europium complexes with excellent luminescence property from the preparation of sensitized ligands

    Impulsive time-delay synchronization of a system with uncertain parameters
    ZHANG Li, YAN Bao-Qiang
    J4. 2013, 26(2):  29-34.  doi:10.3976/j.issn.1002-4026.2013.02.005
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    This paper addresses impulsive timedelay synchronization of a system with channel timedelay, where the parameters are uncertain. The system is a chaotic system after certain parameters are given. The paper employs impulsive control to prove its practical stability. Lyapunov function is more general in the process of proof. Simulation results demonstrate the effectiveness of the method.

    A weakly intra-regular ordered Γ-semigroup characterized
    LI Ying
    J4. 2013, 26(2):  35-38.  doi:10.3976/j.issn.1002-4026.2013.02.006
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    We address a weakly intraregular ordered Γ-semigroup by fuzzy ideals, fuzzy interior ideals and fuzzy quasiideals in an ordered Γ-semigroup. We also present some of its characterizations, and prove that fuzzy ideals are equivalent to fuzzy interior ideals in a weakly intraregular ordered Γ-semigroup

    Fuzzy congruence of Γ-semigroups
    GAO Ai-Xia
    J4. 2013, 26(2):  39-40.  doi:10.3976/j.issn.1002-4026.2013.02.007
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    We generalize the fuzzy congruence on semigroups to Γ-semigroups. We also define fuzzy congruence on  Γ-semigroups, and present the largest fuzzy congruence contained in the fuzzy equivalent relation on Γ-semigroups.

    Soluble expression and purification of GnRHPE39KDEL and the inhibition to the activity of a tumor cell
    GUO Kai, ZHAO Xiao-Yan, ZHOU Hong-Zi, CHEN Kai, LI Ji-Shun, CHEN Quan, YANG He-Tong
    J4. 2013, 26(2):  41-47.  doi:10.3976/j.issn.1002-4026.2013.02.008
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    We obtained fulllength nucleic acid sequence of an recombinant immunotoxin of GnRH and PE39KDEL by gene synthesis based on the E. coli codon bias. Factor Xa restriction site was inserted at the C termanol of GnRHPE39KDEL to obtion pET24bGnRHPE39KDEL recombinated plasmid which was then converted into E. coli BL21 (DE3) and BL21 (DE3) plyS. Results show that recombinant immunotoxin exhibits highlevel soluble expression after 0.2 mmol/L IPTG induction at 30 ℃ for 2 h in LB media with 0.2 % glucose till OD600 is acquired at 37 ℃ for about 0.6 h. The purity of fusion protein is above 95% and the protein yield is about 2.6 mg/g after sonication, highspeed centrifugation, HisTrap column purification and desalt. IC-50 detection indicates that the recombinant protein can significantly inhibit the growth of tumor cell strains.

    Species diversity and antibiological activities of endolichenic fungi from Zhejiang Mt. Qingliang
    LIU Jing, HU Ling, WANG Hai-Ying, ZHAO Zun-Tian
    J4. 2013, 26(2):  48-52.  doi:10.3976/j.issn.1002-4026.2013.02.009
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    We directly selected medulla mycelium of the lichen to culture the endolichenic fungi from Zhejiang Mt. Qingliang. The ITS nrDNA and 28S nrDNA sequences based growth analysis indicates that 55 fungi belong to Ascomycota. We determined the bacteriostatic activity of secondary metabolite of these 55 endolichenic fungi by the method of paper disc. Results show that 14.55% of the total strains (8 strains) have highly antifungal activity. Maximum diameter of filter parer piece is 3 cm. Our research demonstrates that endolichenic fungi can produce abundant secondary metabolites with antimicrobial activity. They can be served as good resources to screen active substances for many pathogens. They form a potential and rich resource library of antimicrobial compounds.

    Karyotype analysis of Suaeda salsa (L.) Pall.
    ZHANG Feng, YAO Yan
    J4. 2013, 26(2):  53-55.  doi:10.3976/j.issn.1002-4026.2013.02.010
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    The paper originally analyzes the number of chromosomes and karyotype of Suaeda salsa (L.) Pall. Results show that its chromosome number is 2n=18, and that its karyotype formula is K(2n)=2x=18=16m+2sm. The karyotype is 1A based on the classification standard of Stebbins.

    Traditional Chinese medicine and natural active products
    Impacts of different drying methods on antioxidant activity and chemical ingredients of honeysuckle by chemiluminescence detection
    WANG Mei, LIU Feng, LIN Chang-Hu, ZHANG Qing-Hai, ZHANG Yong-Qing, LIU Jian-Hua, WANG Xiao
    J4. 2013, 26(2):  56-60.  doi:10.3976/j.issn.1002-4026.2013.02.011
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    We addressed the impacts of different drying methods (microwavedrying, hotair drying and shadedrying) on the antioxidant activity and chemical ingredient of honeysuckle. We also assessed the impacts of the three drying methods on the antioxidant activity of honeysuckle and determined the content of total phenolic and total flavonoid with Luminol chemiluminescence, and superoxide anion, hydrogen peroxide and hydroxyl radical scavenging as indices. Experimental results show that honeysuckle has remarkable antioxidant activity. The three different drying methods all exhibit significant impacts on the antioxidant activity and the content of active components. Antioxidant activity of total phenolic and total flavonoid is the strongest, and their content is the highest, 30.40±2.75 mg/g and 61.24±7.62 mg/g under the conditions of microwave drying at 70 ℃ for 10 min. IC-50 of the three indices is 9.44%, 0.029% and 0.12%. Antioxidant activity of total phenolic and total flavonoid is the weakest and their contents are the lowest, 10.22±0.81mg/g and 17.50±2.28 mg/g under the condition of shadedrying for 4 days. IC-50 of the three indices is 11.97%, 0.53% and 0.37% of the original extract concentration.

    Isolation of 6-gingerol, 8-gingerol and 6-shogaol from dry rhizome  of Zingiber officinale Rosc. by silica gel column chromatography and highspeed countercurrent chromatagraphy
    XU Mei-Xia, WANG Xiao, LIU Jian-Hua, GENG Yan-Ling, WANG Dai-Jie, LIU Feng
    J4. 2013, 26(2):  61-65.  doi:10.3976/j.issn.1002-4026.2013.02.012
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    We constructed the method of isolating 6gingerol, 8gingerol and 6shogaol from dry rhizome of Zingiber officinale Rosc. by silica gel column chromatography and highspeed countercurrent chromatagraphy based on experiments. We extracted the samples of Zingiber officinale Rosc. by ethyl acetate ultrasonic extraction and then coarsely treated them by silica gel column chromatography. We further selected fraction A3 and A4 to be separated by highspeed countercurrent chromatography(HSCCC). The purity of the obtained single ingredient was detected by highperformance liquid chromatography(HPLC) and the structure of the obtained compound was identified by electrospray ionization(ESIMS) and 1HNMR. Results show that the method has such positives as simplicity, rapidity, highpurity products, large amount of preparation and highefficiency separation.

    Analysis and comparison of inorganic elements in the peel of three strains of  Trichosanthes kirilowii Maxim. from Changqing
    YU Jing-Ping, LI Jia, ZHANG Yong-Qing, FAN Ying-Cai
    J4. 2013, 26(2):  66-71.  doi:10.3976/j.issn.1002-4026.2013.02.013
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    We determined 20 elements in the peel of three strains of T. kirilowii from Changqing with ICPMS, ICPAES and AFS for investigating the distribution characteristics of inorganic elements. We also employed SPSS to analyze their correlations. Analytical results show that twenty inorganic elements including Cu, Zn, Ca, Mg, Mn and Fe all exist in the peel of these stains. However, the contents of these inorganic elements are different. The contents of N, Ca, P and S of strain I are all higher than those of strains II and III except Mg and K. The contents of Mn, Fe, Cu and Se of stain I are higher than those of strains II and III. The contents of B and Sr of stain II are all higher than those of strains I and III. The contents of Zn, Ni and Mo of strain III are all higher than those of strains I and II. 35 pairs of elements are significantly relative, P less than 0.05. 22 pairs of elements are perfectly significantly relative, P less than 0.01. The peel of the three strains all has inorganic elements against cardiovascular diseases. Different germplasms exhibit different impacts on their contents.

    Article
    Application of ceramic solar plate heating system
    XIU Da-Peng, CAO Shu-Liang, XU Jian-Hua, CAI Bin, WANG Qi-Chun, YANG Yu-Guo
    J4. 2013, 26(2):  72-77.  doi:10.3976/j.issn.1002-4026.2013.02.014
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    We develop a new and highly efficient flat solar bodythe black porcelain composite ceramic solar plate. The solar body is constructed through slip casting with ordinary china clay as raw material, whose surface is sprayed with industrial solid wastes mixed black porcelain mud. The body is formed through firing at 1 200℃ by continuous roller kiln after drying, whose sunlight absorption rate is 0.95. We further present the construction method of ceramic solar plate roof solar heating system. The system shares structure layer, thermal insulation layer, waterproof layer with a building, is integrated with a building and has the same lifetime as a building. Its heat insulation and preservation effect is better than that of ordinary roof. Daily acquired heat of the solar heating system is 8.6 MJ/m2, much higher than the national standard 7.0 MJ/m2, by the comparison of heat collection efficiency of the system and that of vacuum glass tube water heater. The cost of solar energy is lower than that of conventional energy.

    Research advances of key materials of proton
    DING Lu, PAN Yi, YANG Shuang-Chun
    J4. 2013, 26(2):  78-82.  doi:10.3976/j.issn.1002-4026.2013.02.015
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    Membrane electrode is a key component of proton exchange membrane fuel cell (PEMFC). This paper reviews recent advances in membrane material, electrode catalyst and gas diffusion layer based on its structure, including Nafion modified membrane, SPA / SPE (sulfonated poly aromatic hydrocarbons) class film, Pt modified catalyst, nonnoblemetal catalyst and GDL diffusion layer. The paper then points out that we should focus the simple improved method of Nafion membrane, development of aromatic hydrocarbon polymer blend membrane, research on Co and N contained electrode catalyst and the development of microporous layer, externally rough and strongly hydrophobic gas diffusion layer in future.

    Genetic algorithm based product innovation design
    HU Chun-Yu, LIU Hong
    J4. 2013, 26(2):  83-87.  doi:10.3976/j.issn.1002-4026.2013.02.016
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    This paper presents a genetic algorithm based method for the creative design of product modeling by the analysis of doublelayer structure coding and binary coding. The method employs doublelayer structure coded genetic algorithm to design modeling, based on which we can produce components with various shapes. The method employs binary coded genetic algorithm to assemble components, based on which we can acquire many different combination schemes. This paper explains its application mode and procedure, taking the design of a kite as an example. The paper verifies its feasibility and practicability with the example.

    Design of a Cortex-M4 based ultrasonic phased array detection system
    ZHAO Lian-Rui, YANG Ji-Min, LI Zhen-Jiang, LI Yu-Kun
    J4. 2013, 26(2):  88-91.  doi:10.3976/j.issn.1002-4026.2013.02.017
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    We design an obstacle detection system with ultrasonic phased array detection and  the microcontroller Cortex-M4 as a processor. Experiments show that the actual sound field strength of the focal area is greater than that of conventional ultrasonic technology and sound energy is more convergent. Its detection distance is from 0.3 to 5.5 m, and measurement accuracy is ±1 cm. The system is therefore effective and satisfactory.

    Tranfic and Transportation
    Prediction of Beijing traffic carrying capacity
    LI Rong, WU Jian-Jun
    J4. 2013, 26(2):  98-104.  doi:10.3976/j.issn.1002-4026.2013.02.019
    Abstract ( )   PDF (1152KB) ( )  
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    The essentials  that cause traffic congestion, environmental pollution and resource deficiency lie in too rapid vehicle increase which even exceeds traffic carrying capacity. We employ multivariate analysis to analyze the key factors impacting vehicle number. We also construct a time series prediction model for every key factor, and employ multiple regression analysis to predict vehicle number. We further establish a quantitative calculation model to determine urban traffic carrying capacity based on the analysis of key factors of traffic carrying capacity. The number of motor vehicle will exceed Beijing traffic carrying capacity after 2010 based on the calculation of the present data, and the vehicle growth rate will exceed that of traffic carrying capacity. Some relevant specifications therefore must be drawn to restrict the increase in vehicle number.