Outline and computational approaches of protein misfolding.

Protein misfolding is a general causation of classical conformational diseases and many pathogenic changes that are the result of structural conversion. Here I review recent progress in clinical and computational approaches for each stage of the misfolding process, aiming to present readers an outline for swift comprehension of this field.

Structure and base properties of calcined hydrotalcites

Five hydrotalcites with Mg/Al molar ratio range of 3-15 were prepared. The structure and basicity of Mg-Al mixed oxides (Mg(Al)O) transformed from hydrotalcites were investigated by TPD, XPS, XRD, FT-IR and NMR techniques. The results of elemental analysis and XPS indicate that Al is enriched in the surface regions of Mg(Al)O, and its amount increases with the Mg/Al molar ratio and, the calcination temperature. Al-27-MAS-NMR results show that Al exists in two chemical environments: tetrahedral aluminium (Al(t)) and octahedral aluminium (Al(o)) in Mg(AI)O. The amount of Al(t) increases with the Mg/Al molar ratio and the calcination temperature. It is assumed that Al(t) may be mainly from the surface Al. Temperature-programmed desorption (TPD) of CO2 shows that the number of basic sites of Mg(Al)O samples increases with the Mg/Al molar ratio, and the maximum number of basic sites is obtained for hydrotalcite calcined at 773 K. Infrared spectra of adsorbed CO2 and B(OCH3)(3) reveal that there are two kinds of basic sites: weak basic OH- sites and strong basic O2- sites on the Mg(AI)O samples, the base strength depends on the Mg/Al molar ratio and calcination temperature.

Comparative studies on parallel and antiparallel duplex and triplex DNA

Parallel strand models for base sequences d(A)(10). d(T)(10), d(AT)(5) . d(TA)(5), d(G(5)C(5)). d(C(5)G(5)), d(GC)(5) . d(CG)(5) and d(CTATAGGGAT). d(GATATCCCTA), where reverse Watson-Crick A-T pairing with two H-bonds and reverse Watson-Crick G-C pairing with one H-bond or with two H-bonds were adopted, and three models of d(T)(14). d(A)(14). d(T)(14) triple helix with different strand orientations were built up by molecular architecture and energy minimization. Comparisons of parallel duplex models with their corresponding B-DNA models and comparisons among the three triple helices showed: (i) conformational energies of parallel AT duplex models were a little lower, while for GC duplex models they were about 8% higher than that of their corresponding B-DNA models; (ii) the energy differences between parallel and B-type duplex models and among the three triple helices arose mainly from base stacking energies, especially for GC base pairing; (iii) the parallel duplexes with one H-bond G-C pairs were less stable than those with two H-bonds G-C pairs. The present paper includes a brief discussion about the effect of base stacking and base sequences on DNA conformations. (C) 1997 Academic Press Limited.

滑坡型泥石流转化机理研究—以四川省达县青宁乡滑坡为例

Slide-debris flow is debris flow which is transformed from landslide consecutively in a short time, it comprises of two phases: First, Landslide starts to slide; Second, landslide changes to debris flow. Slide-debris flow which brings great property and life loss happens frequently at home and abroad. In order to forecast the happening possibility and scope of slide-debris flow, transfromation mechanism of Slide-debris flow must be studied. Research on transformation mechanism of slide-debris flow is intersectant science of landslide kinetics and debris flow starting theory, It is a fringe problem as well as front problem of geological hazard. This paper takes Qingning slide-debris flow in Da County, Sichuan Province for example and has studied the mechanism of its instability and transfromation into debris flow through indoor test (including usual soil test and ring shear test) and digital modeling method.The research gets the following conclusions. Qingning Landslide took place mainly because of confined water head arising from rainfall infiltration. Before Landslide occurring, it rained continuously for 22 days, accumulated precipitation arrived at 521.6mm.Investigation shows that strata of Qingning Landslide contains quaternary loose accumulation, slip soil and highly weathered bedrock, which is a good condition for formation of confined water in the slope. Further more, groundwater seepage in the slope body and corresponding slope safety factor before landslide occurring have been computed through finite element method. The result shows that because of infiltration of rainfall, confined water head in the slope arose sharply, accordingly, the safety factor of the slope declined quickly. The result also shows that force put on the slide body by the rock mass detached from Dazhaiyan mountain was the direct factor for landslide occurring. Qingning slide-debris transformation mode has been summarized, the process the landslide changed into debris flow is divided into three phases in the prospective of macroscopic geological condition: landslide occurring, transformation and debris flow. Landslide occurring phase is from slope’ local creeping slide to Landslide occurring; transformation phase contains slide body sliding on the slide bed after slide occurring and sliding on the slope after shearing opening; debris flow phase is that slide body breaks up completely and flows downward into the ditches. The transformation mechanism of Qingning slide-debris flow has been studied through indoor ring shear test of slip soil. The result shows that transformation mechanism contains two points: first, during slide body sliding on the slide bed and slope after shearing opening, shearing shrinkage, grain crushing and grain layering brought about declining of its volume and produced excess pore water pressure, and because producing velocity of excess pore water pressure is much greater than its dissipating velocity, shear strength of slide body decreased sharply because of accumulated pore water pressure. Second, grains crushing and grains layering during slide body sliding brought about thick liquefied layer at the bottom of the slidebody, liquefied layer contained high water content and its shear strength was very low, its thickness increased as the sliding displacement increasing. Liquefied layer makes slide body sliding fast and easily break down to debris flow. Excess pore water pressure and liquefied layer made shear strength of slidebody became very low, furthermore, water in the pit of slope joining in the slidebody was also a facter that made slidebody accelerate the transformation. Influence of slide body thickness and fine grains content to transformation of slide-debris flow has been studied through ring shear test. The result reaches two conclusions. First, thickness of slide body affects transformation of slide-debris flow by two ways, porewater pressure and effect of “soft base��� increases as thickness of slide body increasing.so the thicker slide body is ,the easier transformation is. Second, actual dissipating velocity of porewater pressure should be considered when studying the influence of fine grains content to tranformation of slide-debris flow. There should be a critical content of fine grains which makes the difference of producing and dissipating velocity of water pore pressre greatest, this value is the best for slide-debris transformation. The whole process of slide-debris flow transformation is reproduced through discrete element method. Transformation mechanism of slide-debris flow is studied through monitoring various parameters including pore water pressure, grain crushing and grain layering in the slide body during the transformation. The result confirms and supplements the transformation mechanism of slide-debris flow got from ring shear test well.

Fully developed laminar flow and heat transfer in smooth trapezoidal microchannel

Numerical analysis of fully developed laminar slip flow and heat transfer in trapezoidal micro-channels has been studied with uniform wall heat flux boundary conditions. Through coordinate transformation, the governing equations are transformed from physical plane to computational domain, and the resulting equations are solved by a finite-difference scheme. The influences of velocity slip and temperature jump on friction coefficient and Nusselt number are investigated in detail. The calculation also shows that the aspect ratio and base angle have significant effect on flow and heat transfer in trapezoidal micro-channel. (c) 2005 Elsevier Ltd. All rights reserved.

河南省封邱县低产土壤上小麦黄叶病的发生及防治对策

河南省封邱县位于黄河下游的大冲积扇平原上。小麦是本县主要作物。本文主要根据野外调查结果讨论了小麦生理性黄叶病和土壤性质的关系。低产土壤包括盐土、碱土、风沙土及低肥力的两合土等。 主要论点及结论如下： l、调查了各种土壤上的小麦黄叶病。这种生理上的黄叶病导因于土壤的不良性质。次生盐渍化旱地上的小麦黄叶病是由于土壤中高量的可溶性盐分不但提高了土壤溶液的渗透势，而且损坏了根系的吸收功能，使得其得不到大量营养元素的补充而引起。次生盐渍化水浇地上的小麦黄叶病的原因是和土壤的水盐动态有关，田间高持水量和盐分使小麦根系黑，田间土体构型改变了盐分在土壤中的再分配。县西牛皮碱地区小麦黄叶病的原因是土壤结构、土壤高PH值。土壤结构呈层片状使小麦根系难以深扎、水稳性差，土壤高PH值损害作物的组织和吸收功能。 2、由于土壤的盐渍化，次生盐渍化的发生，由于土壤的水盐动态关系，土壤的微生物性质、土体构型及微地形差异都发生程度不同的黄叶病。本文还从大环境角度分析了次生盐渍化发生的原因是背河洼地边缘种稻引起地下水位抬高，从而导致大范围小麦生态环境条件恶化。 3、由于沙土、低肥力两合土的保水保肥能力较差，使小麦在主要发育期（拔节）产生生理性的黄叶病。 4、本文根据作者自己的调查结果认为，地下水在盐渍化作用中的影响是有条件的，土壤质地、微地形、土体构型、植被和降水蒸发比是重要因素;认为认为不同的土体构型中浅位粘层返盐效果最显著;认为盐渍土壤温度低是小麦黄叶病的重要原因。

2-C-支链-1,6-脱水吡喃葡萄糖的开环反应及吡喃烯糖的合成研究

在糖化学合成中，1,6-脱水吡喃糖不仅是合成具有生物活性低聚糖、糖共体、抗原、抗体以及天然产物等化合物重要原料，而且还是许多具有生物活性的天然产物的结构单元。同时，它还具有[3,2,1]的双环缩醛结构，使其在糖化学合成中具有高的立体选择性和区域选择性，同时减少了C-1 和C-6 位的保护和去保护的优点。此外，环内的缩醛开环后，又可以相应地在C-1 和C-6 位进行官能团转化以及糖苷化反应。 本文报道了一种新的1,6-脱水吡喃糖的合成方法，并设计合成了2-C-支链-1,6-脱水吡喃葡萄糖1-195、1-197、1-198 以及2-C-支链-6-硫代1,6-脱水吡喃葡萄糖1-225。到目前为止，1,6-脱水糖开环并进行糖苷化反应，存在选择性较差、产率低的缺点。我们发现，在乙腈做溶剂的条件下，NiCl5 能高立体选择性高产率地催化化合物1-195、1-197、1-198 开环并与ROH、RSH 发生糖苷化反应。在NiCl5-乙腈条件下，合成了一系列2-C-支链-α-糖苷和2-C-支链-β-硫代糖苷，并对2-C-支链1,6-脱水吡喃葡萄糖的生成机理以及开环机理进行了探讨。 烯糖在糖化学合成中是重要的起始原料，从Fischer 首次合成烯糖至今，一直不断地有新的合成方法出现。但目前文献报道的方法存在所用试剂有毒、价格贵和操作繁琐等缺点。我们对Fischer-Zach 方法进行了改进， 发现Zn-NaH2PO4-H2O 和Zn-PEG600-H2O 体系都能很好地合成烯糖。该方法具有条件温和、绿色环保、操作简单的优点。在Zn-NaH2PO4 溶液或Zn-PEG600 条件下，以溴代糖为原料，高产率地合成一系列的烯糖。 The 1,6-anhydrohexopyranoses are crucial subunits of myriad bioactive nature products, as well as important syntons of carbohydrate chemistry which have been extensively used to prepare the biologically potential oligosaccharides, glycoconjugates, antibiotics, and structurally varied nature products. Their particular [3.2.1] bicyclic skeleton makes them have high regio- and stereo-control in a variety of reactions, and such structure avoids protecting hydroxyl groups at C1 and C6.Additionally, the cleavage of the internal acetal under acidic conditions could be beneficial for further transformations of functional group and glycosylation of the corresponding pyranosyl sugar at the C6 or C1 site. Herein we developed a novel approach to prepare the 1,6-anhydrohexopyranose, and synthesized the 2-C-branched-1,6-anhydrohexopyranose 1-195, 1-197, 1-198 and 2-C-branched-6-thio-1,6-anhydrohexopyranose 1-225. Until now, glycosylation of 1,6-anhydrohexopyranoses has been limited because of the low yields and low stereoselectivity. In this paper, we found that NiCl5-MeCN system could selectively cleave the ring of 1,6-anhydrohexopyranoses with alcohols and thiols at room temperature in high yields. A series of 2-C-branched-α-glycosides and 2-C-branched-β-thioglycosides have been synthesized via NiCl5-catalyzed. Furthermore, we investigated the formation and ring-opening mechanism of 2-C-acetylmethyl-1,6-anhydrohexopyranose. Glycals are significant starting material in carbohydrate chemistry. After the Fischer-Zach method for forming glucal was reported for the first time, the numerous synthetic methods for glycals have been explored. However, there are several drawbacks in the existing methods, such as the usage of very expensive and toxic reagents, intricate operation, and the influence of acid-sensitive and base-sensitive functional group. We improved the Fischer-Zach method and developed a facile, mild and environmentally benign methodology towards the synthesis of the glycals in Zn-NaH2PO4-H2O or Zn-PEG600-H2O system. Our method involves the treatment of glycosyl bromides with Zn in NaH2PO4 aqueous solution or PEG600-H2O at room temperature, affording various glycals in excellent yields.

Direct spectroscopic evidence for the specific property of aqueous core phase in black soap film

The microenvironment of the aqueous core phase in the black soap film of cationic surfactant cetyltrimethylammonium bromide with the anionic dye Brilliant Yellow as spectral probe has been studied by UV-vis spectroscopy. Under neutral and basic conditions, the dye aggregates in the films exist as both the acid and base forms in contrast to a preference of the base form in the bulk solutions. The specific property of black soap film, that the intrinsic pH value of the aqueous core phase insensitively responds to pH changes of the bulk solution, is directly observed through UV-vis spectra.

沙地马铃薯不同灌溉方式的经济效益分析

从投资回收期和益本比2个方面,对靖边县沙地马铃薯半固定式喷灌、滴灌、大型喷灌机喷灌3种灌溉方式进行经济效益分析,在经济分析的基础上,采用层次分析法,对3种灌溉方式进行综合效益评价。结果表明,半固定式喷灌、滴灌、大型喷灌机喷灌的投资回收期分别为2.1 a,0.6 a,0.9 a,效益费用比分别为2.6,7.9,7.6,滴灌的经济效益十分明显;3种灌溉方式的优劣排序为:滴灌最好,半固定式喷灌次之,大型喷灌机喷灌较差。

(R,R)-DPEN-modified Ru/gamma-Al2O3 - An efficient heterogeneous catalyst for enantioselective hydrogenation of acetophenone

An efficient enantioselective catalyst of 5 wt.% Ru/-gamma-Al2O3 modified with R,R-1,2-diphenylethylene-diamine ((R,R)-DPEN) for the hydrogenation of a non-activated aromatic ketone of acetophenone has been investigated, a relatively high enantiomeric excess (ee) of 60.5% was obtained at both the conversion and selectivity larger than 99%, it was about three times higher than the ee values reported up to now for acetophenone hydrogenation with the supported transition metal catalysts modified by chiral reagents. The influences of some reaction parameters such as phosphine ligand, substrate/catalyst/modifier molar ratios, base, solvent, pressure and reaction temperature have been discussed. The chiral modifier of (R,R)-DPEN was very important in controlling the enantioselectivity through adsorption competing with other substrates on the surface of active metal species. The phosphine ligand and base were also important and indispensable in the present reaction.

A new spirofilid ciliate from the yellow sea: Metastrongylidium distichum n gen, n sp (ciliophora, stichotrichia)

The morphology and infraciliature of a new ciliate, Metastrongylidium distichum, isolated from the Yellow Sea, are investigated using live observation and protargol impregnation. Metastrongylidium distichum is about 170 x 40 pm in vivo, clavate to elongate ellipsoidal with bluntly pointed posterior end, and has two macronuclear nodules, six distinctly large buccal and frontal cirri, three dorsal kineties and two each of spiralled ventral and marginal cirral rows. These features indicate a generic allocation in Strongylidium Sterki, 1878. However, the new ciliate has a distinct feature not recognizable in Strongylidiurn, viz., the presence of (three or four) transverse cirri. Thus, we propose a new genus Metastrongylidium for the new species, M distichum nov. gen., n. sp. Metastrongylidium belongs to the family Spirofilidae, where it differs from Mucotrichidium by the lack of postperistomial cirrus and the different frontal and ventral cirral pattern. Metastrongylidium distichum is easily distinguishable from the seemingly similar species Strongylidium californicum Kahl, 1932 by the macronuclear pattern (invariably 2 vs. many nodules). It highly resembles the poorly known species S. contortum (Gelei 1954) Borror, 1972 in the body outline and nuclear pattern, differing in the biotope, the posterior cirral pattern, and the arrangement of right marginal row.

北京石花洞滴水沉积的季节变化及影响因素

Because of the high resolution, stalagmite laminae can play an important role in the paleoclimate reconstructions. However, few investigations for the formation mechanisms of stalagmite lamilae have been done. Based on two-year observation on calcite growth rate at the drip sites, three-year monitoring of hydrodynamics, physics and chemistry of drip waters at different drip sites and the surrounding environments inside and outside the Beijing Shihua Cave, the seasonal variations of calcite growth rate are revealed and the results can be concluded as follows: 1. The drip waters inside the Cave are mostly sourced from the summer rain, and its minimal response-time to the atmospheric precipitation is less than one day. There are three types of response relationships between the precipitation and the drip rate variations: rapid response type, time-lag response type and stable response type. For rapid response type, the drip discharge is recharged through the flow routes along intensive fractures and interconnectivities; for time-lag response type, the drip discharge is recharged by double-porosity system composed of a high conductivity, low storage capability conduit network and a low-conductivity high-storage capability rock matrix under variable boundary conditions; for stable response type, the drip discharge is mainly recharged by seepage flow and base flow. 2. The observation shows that, inside the Cave, the growth rate of calcite is generally lower in rainy seasons and higher in dry seasons. During the rainy seasons, the drip water is characterized by a lower pH value, higher [Ca2+], [Mg2+], [SO42-] and electrical conductivity (EC) values. According to the calculations of saturation index of calcite (SIc), pCO2 of the drip water, as well as the synthetical analysis of other possible factors, the calcite growth rate is found to be principally influenced by the drip water saturation index of calcite (SIc). And the drip rate and pCO2 in the drip water and in the cave air play the secondly important roles in this process. The recharge mode of heavy rainfall events in the rainy seasons should probably be the main driving force that controls the physicochemical properties and calcite sediment of the drip waters. The abrupt decrease of sedimentary rate and the sharp peak of DOC in drip water in the rainy season probably forms the thin opaque (luminescent under ultraviolet radiation) layers observed in the stalagmites, whereas the relatively higher sedimentary rate in the dry seasons may be responsible for the thicker bright layers. The investigation elucidated here preliminarily reveals the formation mechanism of the stalagmite laminae in Beijing Shihua Cave.

南海北部大陆边缘盆地深部地热特征用地球动力学演化

This report is a conclusion of the major research outcome during my post-doctoral residence of research and work. Its content covers the researches of the deep thermal characteristic and dynamics evolution beneath the northern margin basin of South China Sea. In this report, the each other action and effect between lithosphere ad mantle convection were regarded by the combine of deep and shallow study, subdivision from whole to part, and pay equal attention to determine the nature and fixed quantity. The investigative method we used in this report is geothermal and gravity methods. By the help of geological model and geophysics modeling, we calculated lithosphere thermal structure, rheology structure and mantle convection. Firstly, the report introduces concisely the purpose and the previous achievement to this research. Then, it analyzed the characteristic of heat flow on South China Sea. The structure of deep temperature and thermal has been calculated in some models of heat generation and conduction. The rock rheology structure also was computed by the relationship between temperature and viscosity. All these calculations were finished under the guidelines of combine with geology and geophysics. Meanwhile, the fields both deep mantle convection and small scale upper mantle convection are computed. Beside, the density and temperature disorder resulted by mantle convection were also computed with the convection field. After these, the report bring the contribution of local field of mantle convection, thermal construct and effective viscosity beneath the northern margin basin of South China Sea. And, base on the tectonic background and evolution feature, this report discussion the evolution mechanism of south China Sea and its northern margin basin. The end of this report, the main conclusion of this research was summarized and brings out.