Triblock poly(lactic acid)-b-poly(ethylene glycol)-b-poly(lactic acid)/paclitaxel conjugates: Synthesis, micellization, and cytotoxicity

A triblock poly(lactic acid)-b-poly(ethylene glycol)-b-poly(lactic acid) (PLA-PEG-PLA)/paclitaxel (PTX) conjugate was synthesized by the reaction of carboxyl-terminated copolymer PLA-PEG-PLA with PTX in the presence of dicyclohexylcarbodiimide and dimethylaminopyridine. Carboxyl-terminated copolymer PLA-PEG-PLA was prepared by the reaction of the hydroxyl end groups in copolymer PLA-PEG-PLA with succinic anhydride. Its structure was confirmed by NMR and gel permeation chromatography. The PLA-PEG-PLA/PTX conjugates could self-assemble into micelles in aqueous solutions with a low critical micelle concentration. Dynamic light scattering and environmental scanning electron microscopy analyses of the PLA-PEG-PLA/PTX micelles revealed their spherical structure and size of 220 nm. The antitumor activity of the conjugate against woman Hela cancer cells, evaluated by the 3-(4,5-dimethylthiazol2-yl)-2,5-diphenyl tetrazolium bromide method, showed that the conjugates had an antitumor activity similar to that of pure PTX. The obtained PLA-PEG-PLA/PTX conjugates are expected to be used in clinical practice.

Self-assembly of a water chain with tetrameric and decameric clusters in the channel of a mixed-valence (CuCuII)-Cu-I complex

The reaction of Cu(BF4)(2) with pyridine-2,6-dicarboxylic acid (H(2)pydc) and trans-1,2-bis(4-pyridyl)ethylene (bpe) under hydrothermal conditions afforded a porous mixed-valence (CuCuII)-Cu-I coordination polymer. Coexistence of tetrameric and decameric water clusters within the channels of the complex leads to a novel water chain. The metal-organic framework provides both hydrophilic and hydrophobic environments for stabilizing the clusters and retains its integrity upon dehydration and rehydration.

Novel trichromatic phosphor codoped with two rare earth ions in a single matrix

The luminescence properties of CaBPO5: Eu, Tb phosphor and the sensitization of Ce3+ were investigated. The CaBPO5: Eu, Tb phosphors were synthesized in the ambient air and the emission spectra of Eu3+, Tb3+ and Eu2+ were Observed in the phosphor. The result shows that there is electron transfer between conjugate rare earth ions. Sensitization of Ce3+ can improve the intensity of emission of Tb3+ and Eu2+. A novel trichromatic lamp phosphor codoped with Eu3+-Tb3+ in matrix CaBPO5 is then predicted.

Hydrophobic pocket modification and humanized catalytic antibodies with glutathione peroxidase activity (I) - Preparation and characterization of haptenes and conjugates

The thiol group of glutathione (GSH) was protected by 2,4-dinitrochlorobenzene (DNCB), the product S-substituted dinitrophenyl GSH(GSH-S-DNP) was alcoholized to obtain haptenes 4 and 5 respectively. As haptenes, the two GSH derivatives were characterized by means of H-1 NMR, MALDI-TOF-MS and IR, followed by individually coupling with bovine serum albumin (BSA) via glutaraldehyde. BSB-Hp4 and BSA-Hp5 were purified by Sephadex G-25 gel filtration chromatography. For each conjugate, the average haptene-BSA ratio was 12 : 1. The electrophoresis analysis showed that the average molecular weight of each conjugate was 76 500. The CD spectrum indicated that the conjugates had more a-helix content than BSA did.

MOLECULAR CHAIN STRUCTURE OF DOPED POLYANILINE

The chain structure of polyaniline doped with HCl or CF_3COOH has been investigated by FTIR, solid state ~(13)CNMR, resonance laser Raman and UV-VIS spectroscopies. The results show that during the protonic acid doping, a partial redox reaction takes place between the quinone-diimine and benzene-diamine units and it leads to a long conjugate system with a certain charge distribution.

Interaction between phycobilisomes from Porphyridium cruentum and thylakoid membranes from Gymnodinium sp or spinach

Thylakoid membranes were isolated from Gymnodinium sp. and spinach, whereas the phycobilisomes were isolated and purified from red alga Porphyridium cruentum. The absorption spectra of the purified phycobilisomes (PBS) showed three peaks at 548, 564, and 624 nm, respectively, and the ratio of the fluorescence intensity at the lambda(680)(em) to lambda(80)(em5) that at was about 7.3. All these results demonstrated that the purified PBS remained intact. The thylakoid membranes were incubated with the purified phycobilisomes, and the thylakoid membranes, which harbored the phycobilisomes, were purified by sucrose density gradient centrifugation. Meantime, the conjugates of phycobilisome-thylakoid membranes were constructed using glutaraldehyde and further purified. Their characteristics were studied by measuring the absorption spectra and fluorescence emission spectra. The results showed that the phycobilisomes from Porphyridium cruentum can attach to the thylakoid membranes from Gymnodinium sp. and spinach without covalent cross-linking, but the excited energy transfer did not occur. The conjugate of phycobilisome-thylakoid. membranes with covalent cross-linking exhibits the excited energy transfer between the phycobilisomes and the thylakoid membranes.

Comparative studies on the efficiency of energy transfer of two R-phycoerythrin-C-phycocyanin conjugates constructed from sodium periodate and glutaraldehyde respectively

The C-phycocyanin and the R-phycoerythrin were purified from the blue-green alga Spirulina platensis and red alga Polysiphonia urceolata respectively. Both sodium periodate and glutaraldehyde are effective coupling agents being capable of constructing the R-phycoerythrin-C-phycocyanin conjugate, which was also called phycobiliproteins energy transfer model. The two artificial conjugates constructed with different methods were purified by Sephadex G-200 chromatography respectively. Spectra analysis indicated that energy transfer occurred in the two conjugates. The conjugate with sodium periodate had the higher efficiency of energy transfer than that with glutaraldehyde conjugate.

紫球藻藻红蛋白和藻蓝蛋白共价交联物的构建及其与天然藻胆体特性的比较研究

用蔗糖密度梯度超速离心的方法从单细胞红藻---紫球藻（Porphyridium cruentum）中分离纯化了完整的藻胆体。光谱分析表明，藻胆体在可见光区域有四个吸收峰（545nm, 565nm, 618nm 和 650nm）和一个吸收肩（498nm）；荧光发射峰分别在680nm和595nm，二者的比值（λ_(680nm)~(em)/λ_(595nm)~(em)）可高达10以上，说明分离的藻胆体非常完整。非变性电泳结果显示，分离的藻胆体至少有三种颜色的条带，分别为：B－PE，R－PC和b－PE，APC可能含量很少而未见到。SDS－PAGE电泳鉴定至少有三条明显的带，为PE的α和β的重叠带，γ亚基和RPC的亚基。用羟基磷灰石层析和Sephadex G-200层析的方法分离到了高纯度的B－藻红蛋白、b-藻红蛋白和较纯的R－藻蓝蛋白。光谱检验发现，分离得到的藻胆蛋白均为天然态，其中藻红蛋白的荧光发射峰在580nm左右，藻蓝蛋白的荧光发射峰在640nm左右。SDS－PAGE电泳分析，B-藻红蛋白有两条带，分子量大约在20kD，31kD。小分子量的条带极宽，是因为α和β亚基的分子量相近，所以有重叠；大分子量的条带是γ亚基。相对应的是b-藻红蛋白只有20kD的条带，无γ亚基的条带。藻蓝蛋白有两条明显的条带，大约为16kD和20kD。用戊二醛共价交连的方法得了紫球藻B-藻红蛋白和R－藻蓝蛋白和共价结合体。吸收光谱表明，交联体和对照最明显的区别是紫外光区278nm的峰高增加并且蓝移到268nm；交联体的荧光发射光谱与对照相比，498nm激发产生的峰值在588nm（游离的PE的发射峰）和650nm（交联体中PC的发射峰），而对照只有590nm的发射峰，并且交联体在588nm的峰高明显低于对照。非变性电泳鉴定，发现有与对照不同的新的条带出现。这一切证明藻胆蛋白能量传递模型共价交联成功。人工构建的交联物和天然的藻胆体相比，对低离子强度和低温（4 ℃）更为稳定，但能量传递效率相对较低。

玻璃海鞘多肽PCI的分离纯化及其抗血管生成活性研究

血管生成是肿瘤生长、发展的必经之路，并且与实体瘤的发生、转移有着密切的关系，抑制肿瘤新生血管生成具有特异性高、疗效好、不易产生耐药性以及毒副作用低等特点，因此抑制肿瘤血管形成可望成为治疗癌症的一个突破点，以抗血管生成为主的肿瘤生物治疗研究已成为近十年的研究热点。玻璃海鞘（Coina intestinalis）属于内性目、玻璃海鞘科，因其进化上的独特地位常作为研究神经发育、免疫系统进化的材料。在其它种属的海鞘中分离发现了多种具有抗肿瘤活性的多肽，但关于玻璃海鞘抗血管生成活性多肽的分离纯化和活性研究未见报道。本文利用多种分离纯化手段，采用活性追踪的方法首次从玻璃海鞘中分离得到具有抗新生血管生成作用的多肽，并对其抗血管生成活性做了初步研究。 本研究利用冷丙酮分级沉淀，超滤截留分子量小于5kDa的蛋白，再经SephadexG25、Superdex75柱层析，µRPC C2/C18反相柱层析等分离手段，采用活性追踪的方法，由玻璃海鞘（Coina intestinalis）中分离纯化出抗血管生成多肽PCI，据保留时间计算其分子量为1.8 kDa。MTT检测表明其对人脐静脉血管内皮细胞（HUVEC）具有强烈的抑制作用，IC50为7.5 μg/ml，并对多种肿瘤细胞有直接的抑制作用。斑马鱼胚胎体内实验进一步表明PCI在40 μg/ml的浓度下作用12h，斑马鱼胚胎新生血管生成受到显著抑制，肠下静脉血管长度为正常组的30%，斑马鱼胚胎血管生成率为正常组的45%。

坛紫菜中藻胆蛋白和多糖的化学结构特征研究

本文对北移坛紫菜（Porphyra haitanensis）中的藻胆蛋白和多糖进行了深入的研究，并发现其化学结构特征与南方坛紫菜存在一定差异，其主要结果如下：坛紫菜的水溶性色素粗提物经过耱酸铵沉淀和羟基磷灰石（HA）柱层析后，分离到三种藻胆蛋白，即藻蓝蛋白（RPC）、藻红蛋白（RPE）和变藻蓝蛋白（APC）。在中性介质中，其吸收光谱和荧光发射光谱与文献报告基本一致，但在酸性（PH_3）或碱性（PH_(12)）介质中，吸收光谱有明显改变，原有的荧光性质也消失。RPC和APC只分离到一种聚集体，但RPE有两种不同的聚体，用Sephadex G-100凝胶过滤方法，测得藻胆蛋白的分子量分别为：RPC 117，000，APC 122，000，小分子RPE 34，000，大分子RPE 232，000。 而且RPE的两种聚集体的吸收光谱、荧光光谱以及等电点等物理性质都有所差异。对RPE的氨基酸分析结果表明，以天冬氨酸、丙氨酸和谷氨酸为主，且酸性氨基酸的含量大于碱性基酸的含量。用分级法对南北方两种坛紫菜的热水和冷水提取多糖进行了层析分级，用~(13)C-NMR和红外光谱研究了各级分的化学结构特征，南北方坛紫菜琼胶分别主要由用1.0M和0.5M NaCl从DEAE-Sephadex A50层析柱洗脱下的带电荷的琼胶分子组成，~(13)C-NMR谱图表明坛紫菜主要由琼胶糖结构及其生物前体（硫酸基结合在L-半乳糖的第6位碳上）构成，且甲基化琼胶糖在南方坛紫菜中的含量明显比北移坛紫菜高，这是坛紫菜由南方移植北方后的明显差异，这种差异对于进一步研究坛紫菜的生理学特点是有意义的。

面向CIMS的多数据源互操作与开放分布处理系统———CIMS-MIODP的设计与实现

多数据源互操作与开放分布处理系统ＣＩＭＳ－ＭＩＯＤＰ是采用分布对象互操作与代理技术，实现面向ＣＩＭＳ的基于ＲＰＣ的远程对象访问ＲＯＡ（ＲｅｍｏｔｅＯｂｊｅｃｔＡｃｅｓ）功能和基于ＳＱＬ３的远程数据库访问ＲＤＡ（ＲｅｍｏｔＤａｔａｂａｓｅＡｃｅｓ）功能的系统，为ＣＩＭＳ环境下的信息集成与分布处理提供了不同层次的支持功能。本文讨论了ＣＩＭＳ－ＭＩＯＤＰ系统的主要设计和实现问题，包括基本模型、扩展服务和协议、对ＳＱＬ３的支持、系统实现结构等。

反假频重建理论及其在储层预测中的应用

To extend the cross-hole seismic 2D data to outside 3D seismic data, reconstructing the low frequency data to high frequency data is necessary. Blind deconvolution method is a key technology. In this paper, an implementation of Blind deconvolution is introduced. And optimized precondition conjugate gradient method is used to improve the stability of the algorithm and reduce the computation. Then high-frequency retrieved Seismic data and the cross-hole seismic data is combined for constraint inversion. Real data processing proved the method is effective. To solve the problem that the seismic data resolution can’t meet the request of reservoir prediction in the river face thin-layers in Chinese eastern oil fields, a high frequency data reconstruction method is proposed. The extrema of the seismic data are used to get the modulation function which operated with the original seismic data to get the high frequency part of the reconstruction data to rebuild the wide band data. This method greatly saves the computation, and easy to adjust the parameters. In the output profile, the original features of the seismic events are kept, the common feint that breaking the events and adding new zeros to produce alias is avoided. And the interbeded details are enhanced compared to the original profiles. The effective band of seismic data is expended and the method is approved by the processing of the field data. Aim to the problem in the exploration and development of Chinese eastern oil field that the high frequency log data and the relative low frequency seismic data can’t be merged, a workflow of log data extrapolation constrained by time-phase model based on local wave decomposition is raised. The seismic instantaneous phase is resolved by local wave decomposition to build time-phase model, the layers beside the well is matched to build the relation of log and seismic data, multiple log info is extrapolated constrained by seismic equiphase map, high precision attributes inverse sections are produced. In the course of resolve the instantaneous phase, a new method of local wave decomposition --Hilbert transform mean mode decomposition(HMMD) is raised to improve the computation speed and noise immunity. The method is applied in the high resolution reservoir prediction in Mao2 survey of Daqing oil field, Multiple attributes profiles of wave impedance, gamma-ray, electrical resistivity, sand membership degree are produced, of which the resolution is high and the horizontal continuous is good. It’s proved to be a effective method for reservoir prediction and estimation.

太阳耀斑和日食期间电离层行为的统计和模拟研究

The ionosphere is the ionized component of the Earth's upper atmosphere. Solar EUV radiation is the source of ionospheric ionization. Thus the ionosphere is affected strongly by the variations in solar radiation. Solar flares and solar eclipses can induce remarkable short time changes in solar radiation: the solar radiation would increase suddenly during solar flares and decrease significantly during solar eclipses. Solar flare and eclipse events not only affect directly the photochemical processes, but also affect the dynamic processes, and even affect the neutral atmosphere, which is strongly coupled with the ionosphere. The study on the ionospheric response to solar flares and eclipses can advance our knowledge on the ionosphere and its photochemical and dynamic processes and help us to evaluate the ionospheric parameters (such as ion loss coefficients). In addition, the study on the ionospheric responses to solar flares and eclipses is an important part of the ionospheric space weather, which can provide guides for space weather monitoring. This thesis devotes to the study on the ionospheric responses to solar flares and solar eclipses. I have developed two models to simulate the variations of solar EUV radiation during solar flares and solar eclipses, and involved in developing a 2D mid- and low-latitude ionospheric model. On the basis of some observed data and the ionospheric model, I study the temporal and spatial variations of the ionosphere during solar flares and eclipses, and investigate the influences of solar activity, solar zenith angle, neutral gas density, and magnetic dip angle on the ionospheric responses to solar flares and solar eclipses. The main points of my works and results are summarized as follows. 1. The ionospheric response to the X17.2 solar flare on October 28, 2003 was modeled via using a one-dimension theoretical ionospheric model. The simulated variation of TEC is in accordance with the observations, though there are some differences in the amplitude of the variation. Then I carried out a series of simulations to explore the local time and seasonal dependences of the ionospheric responses to solar flares. These calculations show that the ionospheric responses are largely related with the solar zenith angle (SZA). During the daytime (small SZA), most of the increases in electron density occur at altitudes below 300 km with a peak at around 115 km; whereas around sunrise and sunset (SZA>90°), the strongest ionospheric responses occur at much higher altitudes. The TEC increases slower at sunrise than at sunset, which is caused by the difference in the evolution of SZA at sunrise and sunset: SZA decreases with time at sunrise and increase with time at sunset. The ionospheric response is largest in summer and smallest in winter, which is also related to the seasonal difference of SZA. 2. Based on the observations from the ionosondes in Europe and the ionospheric model, I investigated the differences of the ionosphere responses to solar eclipses between the E-layer and F1-layer. Both the observation and simulation show that the decrease in foF1 due to the solar eclipses is larger than that in foE. This effect is due to that the F1 region locates at the transition height between the atomic ion layer and the molecular ion layer. With the revised model of solar radiation during solar flares, our model calculates the radiations from both the inside and outside of photosphere. Large discrepancy can be found between the observations and the calculations with an unrevised model, while the calculations with the revised model consist with the observations. 3. I also explore the effects of the F2-layer height, local time, solar cycle, and magnetic dip angle on the ionospheric responses to solar eclipses via using an ionospheric model and study on the solar zenith angle and the dip dependences by analyzing the data derived from 23 ionosonde stations during seven eclipse events. Both the measured and simulated results show that these factors have significant effect on the ionospheric response. The larger F2-layer height causes the smaller decrease in foF2, which is because that the electron density response decreases with height. The larger dip results in the smaller eclipse effect on the F2 layer, because the larger dip would cause the more diffusion from the top ionosphere which can make up for the plasma loss. The foF2 response is largest at midday and decreases with the increasing SZA. The foF2 response is larger at high solar activity than at low solar activity. The simulated results show that the local time and solar activity discrepancy of the eclipse effect mainly attribute to the difference of the background neutral gas density. 4. I carried out a statistical study on the latitudinal dependence of the ionospheric response to solar eclipses and modeled this latitudinal dependence by the ionospheric model. Both the observations and simulations show that the foF2 and TEC responses have the same latitudinal dependence: the eclipse effects on foF2 and TEC are smaller at low latitudes than at middle latitudes; at the middle latitudes (>40°), the eclipse effect decreases with increasing latitude. In addition, the simulated results show the change in electron temperature at the heights of above 300 km of low latitudes is much smaller than that at the same heights of middle latitudes. This is due to the smaller decrease in photoelectron production rate at its conjugate low heights. 5. By analyzing the observed data during the October 3, 2005 solar eclipse, I find some significant disturbances in the conjugate region of the eclipse region, including a decrease in Te, an increase in foF2 and TEC, and an uprising in hmF2. I also simulated the ionosphere behavior during this eclipse using a mid-low latitude ionospheric model. The simulations reproduce the measured ionospheric disturbances mentioned above in the conjugated hemisphere. The simulations show that the great loss of arriving photoelectron heat from the eclipse region is the principal driving source for the disturbances in the conjugate hemisphere.

地下水流动数值模拟的并行计算方法研究

Numerical modeling of groundwater is very important for understanding groundwater flow and solving hydrogeological problem. Today, groundwater studies require massive model cells and high calculation accuracy, which are beyond single-CPU computer’s capabilities. With the development of high performance parallel computing technologies, application of parallel computing method on numerical modeling of groundwater flow becomes necessary and important. Using parallel computing can improve the ability to resolve various hydro-geological and environmental problems. In this study, parallel computing method on two main types of modern parallel computer architecture, shared memory parallel systems and distributed shared memory parallel systems, are discussed. OpenMP and MPI (PETSc) are both used to parallelize the most widely used groundwater simulator, MODFLOW. Two parallel solvers, P-PCG and P-MODFLOW, were developed for MODFLOW. The parallelized MODFLOW was used to simulate regional groundwater flow in Beishan, Gansu Province, which is a potential high-level radioactive waste geological disposal area in China. 1. The OpenMP programming paradigm was used to parallelize the PCG (preconditioned conjugate-gradient method) solver, which is one of the main solver for MODFLOW. The parallel PCG solver, P-PCG, is verified using an 8-processor computer. Both the impact of compilers and different model domain sizes were considered in the numerical experiments. The largest test model has 1000 columns, 1000 rows and 1000 layers. Based on the timing results, execution times using the P-PCG solver are typically about 1.40 to 5.31 times faster than those using the serial one. In addition, the simulation results are the exact same as the original PCG solver, because the majority of serial codes were not changed. It is worth noting that this parallelizing approach reduces cost in terms of software maintenance because only a single source PCG solver code needs to be maintained in the MODFLOW source tree. 2. P-MODFLOW, a domain decomposition–based model implemented in a parallel computing environment is developed, which allows efficient simulation of a regional-scale groundwater flow. The basic approach partitions a large model domain into any number of sub-domains. Parallel processors are used to solve the model equations within each sub-domain. The use of domain decomposition method to achieve the MODFLOW program distributed shared memory parallel computing system will process the application of MODFLOW be extended to the fleet of the most popular systems, so that a large-scale simulation could take full advantage of hundreds or even thousands parallel processors. P-MODFLOW has a good parallel performance, with the maximum speedup of 18.32 (14 processors). Super linear speedups have been achieved in the parallel tests, indicating the efficiency and scalability of the code. Parallel program design, load balancing and full use of the PETSc were considered to achieve a highly efficient parallel program. 3. The characterization of regional ground water flow system is very important for high-level radioactive waste geological disposal. The Beishan area, located in northwestern Gansu Province, China, is selected as a potential site for disposal repository. The area includes about 80000 km2 and has complicated hydrogeological conditions, which greatly increase the computational effort of regional ground water flow models. In order to reduce computing time, parallel computing scheme was applied to regional ground water flow modeling. Models with over 10 million cells were used to simulate how the faults and different recharge conditions impact regional ground water flow pattern. The results of this study provide regional ground water flow information for the site characterization of the potential high-level radioactive waste disposal.

地震波阻抗反演的迭代正则化算法

Post-stack seismic impedance inversion is the key technology of reservoir prediction and identification. Geophysicists have done a lot of research for the problem, but the developed methods still cannot satisfy practical requirements completely. The results of different inversion methods are different and the results of one method used by different people are different too. The reasons are due to the quality of seismic data, inaccurate wavelet extraction, errors between normal incidence assumption and real situation, and so on. In addition, there are two main influence factors: one is the band-limited property of seismic data; the other is the ill-posed property of impedance inversion. Thus far, the most effective way to solve the band-limited problem is the constrained inversion. And the most effective way to solve ill-posed problems is the regularization method assisted with proper optimization techniques. This thesis systematically introduces the iterative regularization methods and numerical optimization methods for impedance inversion. A regularized restarted conjugate gradient method for solving ill-posed problems in impedance inversion is proposed. Theoretic simulations are made and field data applications are performed. It reveals that the proposed algorithm possesses the superiority to conventional conjugate gradient method. Finally, non-smooth optimization is proposed as the further research direction in seismic impedance inversion according to practical situation.