Homology modelling of annexin I: implicit solvation improves side-chain prediction and combination of evaluation criteria allows recognition of different types of conformational error

Annexin I homology models were built from the annexin V crystalstructure. Three methods for side-chain prediction were testedbased on molecular mechanics conformational search, the useof a rotamer database, or a combination of these two methods.We showed that rotamer-based methods were more efficient andthat molecular mechanics energy minimizations, prior to rotamerselection, did not afford clearly improved predictions. Modelsbuilt in vacuo and with an implicit solvation term were comparedwith the annexin I crystal structure which became availableduring the course of this study. The analysis of solvation energies,root mean square deviations, Xi angles and hydrogen bonds showedthat models built with implicit solvation were of better quality.In annexin V, repeat III displays A-B and D-E loop conformationsquite different from other repeats. Since the sequence differencessuggest that repeat III in annexin I might present a conformationsimilar to other repeats, two annexin I models with differentrepeat III conformations were built and compared to determinewhether the correct conformation could have been predicted.We show that using a combination of evaluation criteria, itis possible to discriminate unequivocally between the nativeand the incorrect fold, stressing that only one criterion shouldnot be used to evaluate protein structures.     

磷矿山环境污染的形成与防治

以湖北省黄麦岭、荆襄磷矿为研究对象，分析了造成磷矿山环境污染的污染源类型及特点，并从矿石特征、矿山生产环节、区域自然环境条件等方面，讨论了对矿山污染的制约和影响，以此，有针对性地提出防治矿山污染的对策和措施。     

External and internal electrostatic potentials of cholinesterase models

The electrostatic potentials for the three-dimensional structures of cholinesterases from various species were calculated, using the Delphi algorithm, on the basis of the Poisson–Boltzmann equation. We used structures for Torpedo californica and mouse acetylcholinesterase, and built homology models of the human, Bungarus fasciatus, and Drosophila melanogaster acetylcholinesterases and human butyrylcholinesterase. All these structures reveal a negative external surface potential, in the area around the entrance to the active-site gorge, that becomes more negative as the rim of the gorge is approached. Moreover, in all cases, the potential becomes increasingly more negative along the central axis running down the gorge, and is largest at the base of the gorge, near the active site. Ten key acidic residues conserved in the sequence alignments of AChE from various species, both in the surface area near the entrance of the active-site gorge and at its base, appear to be primarily responsible for these potentials. The potentials are highly correlated among the structures examined, down to sequence identities as low as 35%. This indicates that they are a conserved property of the cholinesterase family, could serve to attract the positively charged substrate into and down the gorge to the active site, and may play other roles important for cholinesterase function.     

Effect of chloride ions on immersion plating of copper onto porous silicon from a methanol solution

The effect of chloride ions (Cl⁻) during the immersion plating of copper onto porous silicon (PS) from a methanol (MeOH) solution has been studied. The presence of Cl⁻ in the Cu²⁺ solution was found to slow down the rate of copper deposition, as confirmed by inductively coupled argon plasma emission spectroscopy and X-ray photoelectron spectroscopy measurements. The threshold concentration of Cl⁻ at which the deposition of copper is very severely diminished was found to be 0.1 M. The inhibition effect is discussed on the basis of the rest potential values of PS and polarization curve measurements. They revealed that the rest potential of PS upon dipping in these solutions appears to direct the metal deposition. Current density-potential curves show that at Cl⁻ concentrations higher than 0.1 M, the reduction of Cu ions proceeds in two steps; the reduction of Cu(II) to Cu(I) followed by the reduction of Cu(I) to Cu(0). This suggests that Cu(I) species in MeOH solution can be stable over a certain potential range and this stability of Cu(I) is responsible for the inhibition of metal deposition. Fourier transform infrared spectroscopy and scanning electron microscopy (SEM) were also performed to investigate the structural changes and characterizations of PS samples after the plating process.     

Performance Characteristics of a Drying Heat Pump Using Superheated Steam

A complete mathematicalhumerical model is proposed, in order to simulate the performance characteristics of a novel concept of a drying heat pump based on the theory of minimum energy cyclcs. The drying heat pump involvcs vapour condensation in a Lava1 nozzle. removal of the liquid phase in a supersonic separator as well as compression of the working medium. which is superheared vapour.     

Void formation and growth in a class of compressible solids

A new class of compressible elastic solids, which includes the Blatz-Ko material as a special case, is proposed. A closed-form solution is constructed and studied for a bifurcation problem modeling void formation in this class of compressible elastic solids. The relation between the void-formation condition and the material parameters is obtained analytically. An energy comparison of the void-formation deformation and the homogeneous expansion deformation is carried out.     

The relationship between denitrifying bacteria and methanogenic bacteria in a mixed culture system of acclimated sludges

The interaction between denitrification and methanogenesis, with methanol functioning as an electron donor, has been examined through usage of a mixed culture system of denitrifying sludge and methanogenic sludge in an anaerobic bioreactor. Competition for methanol between these two kinds of biocommunity could not be observed, whereas methanogenesis was suppressed as long as nitrate and nitrite were made available in the mixed system. The inhibition of methanogenesis in the methanogenic sludge caused by nitrogen oxides was studied. The redox potential (E_h) of the culture was monitored and/or controlled for the sake of characterizing the behavior of the biocommunities. An addition of nitrite elevated the E_h of the culture less than nitrate did. Nitrite addition, however, exerted a stronger inhibitory effect on methanogenesis as compared to nitrate at the same concentration. The influence of redox potential on the methanation of methanol was examined by using a methanogenic sludge in the E_h-stat batch culture. The hypothesis that the inhibitory effect being expressed by the nitrogen oxides is not simply attributed to an elevation of the redox potential of the culture is supported by the experimental results. The toxic effect of the nitrogen oxides themselves could also have possibly contributed significantly.     

华北盆地南缘大地电磁测深资料地质解释及大别山推覆体成因探讨

根据新近在大别山北麓获得的四条大地电磁测深剖面可以看出,该区地下介质的电性恃征具了明显的纵向上分层、横向上分块的特点。纵向上目上而下分为9个电性层.均有确定的地质属性。其中:第二和第九电性层为本区低阻标志层;第三和第六电性层为相对高阻层;第八电性层为高阻率电阻率高达1000Ω·m以上);第四、第五、第七电性层既有高阻、又有低阻分布.情况比较复杂。■向上的电性分块结构与本区的凸、凹相间的构造格局相对应。这四条大地测深剖面,均反映本区在5～15km深处有一个面积达15000km~2的连续低阻层(第九电性层).电阻率仅有1～3Ω·m。经分析,认为此低阻层可能是一个区域性的主滑脫面,是形成大別山推覆体由北向南的运动面.     

上马水库地裂缝成因及工程处理措施探讨

文中着重阐述了上马水库库坝区的地裂缝产生的原因及发育规律,分析了地裂缝对水库的直接危害,为水库除险加固设计提供了指导,并提出了切实可行的工程处理措施建议。     

聚醚多元醇钻井液研制及应用

以新研制的多功能聚醚多元醇SYP-1为主剂,对聚合物包被剂、防塌剂和降滤失剂进行了优选实验.在此基础上,研制了一种新型的聚醚多元醇钻井液.对聚醚多元醇钻井液的抑制性、流变性、滤失造壁性、润滑性以及对油气层的保护性能进行了室内评价实验,并分析了该钻井液的作用机理.在LN3-6H井和HD4-23H井进行的聚醚多元醇钻井液现场试验表明,在钻进过程中井壁稳定,井径规则,起、下钻畅通,井下安全,测井、下套管及固井作业顺利.室内实验和现场应用表明,聚醚多元醇钻井液具有优良的防塌性和润滑性,能有效地抑制岩屑分散,起到稳定井壁和保护油气层的作用,满足复杂地质条件下钻井的需要.