GM(1,1)的周期修正模型及其在泉水流量预测中的应用

本文阐述了 GM( 1 ,1 )的残差周期修正模型 ,并将它应用于山西神头泉的流量预测中 ,建立了神头泉流量的 GM( 1 ,1 )周期修正模型 ,对其流量进行了预测 ,为神头泉域岩溶水资源开发利用和保护提供了科学依据     

Finding finer functions for partially characterized proteins by protein-protein interaction networks

Based on high-throughput data, numerous algorithms have been designed to find functions of novel proteins. However, the effectiveness of such algorithms is currently limited by some fundamental factors, including (1) the low a-priori probability of novel proteins participating in a detailed function; (2) the huge false data present in high-throughput datasets; (3) the incomplete data coverage of functional classes; (4) the abundant but heterogeneous negative samples for training the algorithms; and (5) the lack of detailed functional knowledge for training algorithms. Here, for partially characterized proteins, we suggest an approach to finding their finer functions based on protein interaction sub-networks or gene expression patterns, defined in function-specific subspaces. The proposed approach can lessen the above-mentioned problems by properly defining the prediction range and functionally filtering the noisy data, and thus can efficiently find proteins’ novel functions. For thousands of yeast and human proteins partially characterized, it is able to reliably find their finer functions (e.g., the translational functions) with more than 90% precision. The predicted finer functions are highly valuable both for guiding the follow-up wet-lab validation and for providing the necessary data for training algorithms to learn other proteins.     

The controlling factors and distribution prediction of H2S formation in marine carbonate gas reservoir, China

Generally, there are some anhydrites in carbonate reservoir, as H2S is also familiar in carbonate oil and gas reservoirs. Nowadays, natural gas with high H2S concentration is usually considered as TSR origin, so there is close relationship between H2S and anhydrite. On the contrary, some carbonate rocks with anhydrite do not contain H2S. Recently, researches show that H2S is only a necessary condition of H2S formation. The reservoir porosity, sulfate ion content within formation water, reservoir temperature, oil/gas and water interface, hydrocarbon and some elements of reservoir rock have great controlling effects on the TSR occurrence. TSR deoxidizes hydrocarbon into the acidic gas such as H2S and CO2, and the H2S formation is controlled by TSR occurrence, so the relationship among reaction room, the contact chance of sulfate ion and hydrocarbon, the reservoir temperature has great influence on the TSR reaction. H2S has relatively active chemical quality, so it is still controlled by the content of heavy metal ion. Good conditions of TSR reaction and H2S preservation are the prerequisite of H2S distribu- tion prediction. This paper builds a predictive model based on the characteristic of natural gas reservoir with high H2S-bearing. In the porosity reservoir with anhydrite, the formation water is rich in sulfate and poor in heavy metal ion. Oil and gas fill and accumulate in the gas reservoir with good preservation conditions, and they suffered high temperature later, which indicates the profitable area of natural gas with high H2S-bearing.     

路基工程施工探讨

从路基填筑前原地面的处理、路基填料的选择和填土路基的压实等方面全面总结了路基工程的施工经验。     

探针式水位跟踪仪的设计与应用

介绍了水位跟踪原理,分析了一种新型的探针式水位跟踪仪及其构成。     

Synthesis and Characterization of Silica@Copper Core–Shell Nanoparticles: Application for Conjugate Addition Reactions

Silica@copper (SiO₂@Cu) core–shell nanoparticles were synthesized and well characterized by XRD, TEM, AFM, XPS, UV/Vis, TGA–MS, and ICP–AES techniques. The synthesized SiO₂@Cu core–shell nanoparticles were employed as catalysts for the conjugate addition of amines to α,β‐unsaturated compounds in water to obtain β‐amino carbonyl compounds in excellent yields in shorter reaction times. Furthermore, the catalyst works well for hetero‐Michael addition reactions of heteroatom nucleophiles such as thiols to α,β‐unsaturated compounds. As the reaction is performed in water, it allows for easy recycling of the catalyst with consistent activity.     

Electronic Spectra and the Mechanism of Complexing of Uranyl Nitrate in Water–Acetone Solutions

Based on the analysis of electronic absorption and luminescence spectra, the processes of complexing in an aqueous solution of uranyl nitrate hexahydrate (UO₂(NO₃)₂·6H₂O) on gradual addition of small amounts of acetone have been investigated. In a pure aqueous solution, uranyl exists as the UO₂·5H₂O complex. It is shown that addition of acetone to the solution leads to displacement of some water molecules from the first coordination sphere of uranyl and formation of uranyl nitrate dihydrate complexes, UO₂(NO₃)₂·2H₂O. It has been established that the stability of these complexes is determined by the decrease in both the water activity and the degree of hydration of uranyl and nitrate. This is the result of the local increase in the concentration of the molecules of acetone (due to its hydrophobicity) in those regions of the solution in which there are uranyl and nitrate ions. The experimental facts supporting the proposed mechanism are given.     

用PM3量化参数预测多氯代二苯并呋喃的logKow

从现有的PCDFs分子的正辛醇 /水分配系数 (logKow)实验数据出发 ,建立定量结构 性质关系方程(QSPR) .采用G98W程序包中的PM3方法对 13 5个多氯代二苯并呋喃 (PCDFs)分子和二苯并呋喃进行了优化计算 ,作业命令为 #pPM3optfreqscf(conver =9) ,以计算所得的分子轨道能量、碳原子电荷作为PCDFs分子结构描述符 ,运用多元线性回归技术建立了PCDFs的logKow与分子结构描述符的四元方程 ,最优相关系数为 0 .95 0 7,标准偏差为 0 .173 7,经检验该模型的稳健性好 ,并对未有实验数据的 85个PCDFs的logKow进行预测     

Predictability and model selection in the context of ARCH models

Most of the methods used in the ARCH literature for selecting the appropriate model are based on evaluating the ability of the models to describe the data. An alternative model selection approach is examined based on the evaluation of the predictability of the models in terms of standardized prediction errors. Copyright © 2005 John Wiley & Sons, Ltd.     

Crystal and Molecular Structure of <Emphasis Type="Italic">Bis</Emphasis>(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) Tetrachlorocuprate(II) Sesquihydrate

The structure of bis-(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) tetrachlorocuprate (II) sesquihydrate, (C₁₃H₁₅N₂O)₂[CuCl₄]·1.5H₂O, was determined by single crystal X-ray diffraction. In contrast to the previously studied analogs, the compound contains crystallization water molecules.Original Russian Text Copyright © 2004 by K. K. Turgunov, B. Tashkhodzhaev, L. V. Molchanov, and Kh. M. Shakhidoyatov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 955–959, September–October, 2004.