Nonlinearity of the complex crystals with O-H bond

A systematic and quantitative research on the structure-property correlation has been carried out in KH2PO4 (KDP), NH4H2PO4 (ADP) and HIO3, based on the dielectric theory of complex crystals and the Levine bond charge model. We, for the first time, successfully solve the problems in the calculation of the nonlinearities of the complex inorganic nonlinear optical (NLO) crystals, which have O-H bonds in their crystal structures. We do this by introducing the bond-valence equation we have set up, calculating the nonlinear optical tensor coefficients d(ijk) of these three compounds, quantitatively determining the contributions of each type of bond to the total second-order NLO tensor coefficient (d(ijk)) of the crystal, and presenting the bond parameters and the linear properties of each kind of bond. For the first time, the NLO coefficient d(36) for ADP was calculated. All calculated results are in good agreement with experimental data. We found that O-H bonds also play an important role in these crystals, except for in the important anionic groups (PO4 groups and IO3 groups). All the results thus calculated show that our method is useful in evaluating the NLO coefficients of the inorganic NLO crystals containing O-H bonds in their structures, and should be a useful tool toward the future research into new nonlinear optical materials of this kind.

水利水电岩溶发育深度的定量化理论研究

The distribution in outcrop of carbonate rocks in China is about 3.44×106km2 and accounts for over one third of the total area of the country, mainly in the Yangtze valley and the Yungui tableland ,and there is a great plenty of Water and hydropower resources in these carbonate area. A large number of projects will be built in order to develop the Water and hydropower resources. They are facing amount of complicated problems of karsts, specially the problem of the depths of karsts below water, which is a key problem that hasn’t been solved well theoretically. So, systematically research in quantitative analysis of the problem is necessary, which is very important to solve the inconsistency between current theories and facts, and is helped to foresee the depth of karsts below water and decrease the expense of the engineering. For the problem mentioned above, the thesis makes a detailed research on the length of corrosion of karsts water, based on the kinetics of corrosion, and founds the primary theory about the processes of four typical geologic elements, which are single fracture, single conduit, porous limestone and fractured limestone. And it has done a deep research upon the characterties and kinetics of corrosion of the four typical geologic elements by simulation using the programme edited by the author. The thesis also makes a discussion on the general model and process of the form of caves by using the founded theory. According to the characteristic of Water Resource and Hydropower engineering, the thesis creates three representative flow-dissolution models for three types of common geologic conditions under the induction of the theory kinetics of corrosion of karsts water. It has done quantitative research upon the process of dissolution and brought out primary theory about quantitative analysis of the depth of karsts below water as well. It found that the depth of karsts below water relates to the specific geologic conditions and the time of dissolution by simulation based on typical parameters and deep analysis of the result. That is to say there are karsts caves in any depths in flow areas of groundwater in specific geologic conditions and appropriate time. The thesis also discourses three basic problems that frequently encountered in the reconnaissance of Water Resource and Hydropower engineering, which are karsts base level, essential conditions of karsts, the comparability of caves and terrace, and indicates the importance of time in karsts. Finally, as an application, the karsts of the scheming Qianzhong water resource engineering is analyzed by the primary theory founded of quantitative analysis. The result of the application comes to a conclusion that the theory accords with the facts properly.

改造型盆地油气成藏机理与油气预测－以银根－额济纳旗盆地为例

Reformed basin is a basin that underwent multiple immense reformation after the sedimentary stage, the major geologic elements of the petroleum system in the prototyped basin are destroyed to a certain extent, and their petroleum system has been reconstructed. This type of basin is frequently found in the course of exploration both home and abroad. In China, especially in the western and southern part of China, the basins in which oil explorations have been conducted are mostly reformed basins. The reformed basins from Paleozoic, Late Mesozoic to Cenozoic are widely distributed in West and South China. They are, and moreover, will be a challenge for oil and gas exploration. The conventional investigation and exploration techniques used in the slightly reconstructed basin just don't work well when facing the reformed basin. Therefore, the study on the reformed basin, especially the study on the pool-forming mechanism and reservoir prediction becomes a focus and one of difficulties for the geologists overseas and domestic. Yingen-Ejinaqi Basin is a typical case of the Late Mesozoic and Cenozoic reformed basins in China. It locates in West China and is a exploration frontier with difficulties and no break through is made for years. A comprehensive research on it will be of significance for oil and gas exploration in similar basins of China. The late research for reformed basin in China now is mainly concentrated on basin classification, formation mechanism, geologic features, and survey technique, distribution regularity of oil accumulation and its dominating factors, assessment of oil exploration prospect and target zones, etc. On the other hand, the study on the pool-forming mechanism and reservoir prediction seems insufficient in systematization, and the research is deficient in methodology and combination of qualitative and quantitative studies, as well as the application of the new theory and techniques. The current efforts are mainly directed to structures (faults), sedimentation, the relationship between reservoir evolution and oil accumulation, and some other relevant fields. However, the application of the new theory and techniques seems to be insufficient such as petroleum system, pool-forming dynamics, fluid pressure compartment, and basin simulation, etc. So is the dynamic and integrated research. As a result, incomplete knowledge and understandings derived from the research on pool-forming mechanism and reservoir prediction often do not accord with rea-lity of the basin. The study and exploration under the guidance of this knowledge will inevitably lead to errors and failure. This paper, based on the previous study of the other geologists on reformed basins, with emphasis on "wholeness or systematic, dynamic and integrated" research, presents a reverse thinking of beginning from conserved units in the basin and the combination of qualitative and quantitative study with new theory and technique by building a geological model. The paper also puts forward a new thought for studying the oil & gas accumulation and reservoir prediction , and establishes a new research system for reformed basin. It is verified by the known reservoir and oil accumulation area in the basin and has a practical value for use and reference. The new ideas and achievements in this research are as following: 1.This is the first time that the system for studying the reformed basin and its pool-forming mechanism and reservoir prediction is presented. A reverse thinking and combination of qualitative & quantitative are applied here with emphasis on "wholeness or systematic, dynamic and integrated" research, new theory, techniques & methods comprehensive use and geologic models building. 2. Identifying criterion and methods, classifying schemes, and denominating principles for the conserved units of reformed basins are presented in this paper. The geologic model of conserved units of Yingen-Ejinaqi Basin has been built. It is a practical method when combined with the traditional way for basin survey and the conserved units study. 3.The dynamic sources of basin deformation are believed to be stress, gravity and thermodynamics. The stress and gravity are key factors in basin deformation and pool forming, especially stress. Scientific proof is provided by classifying the functional type, style and range of the stress, gravity and thermodynamics. 4.The pool forming and reservoir distribution of Yingen-Ejinaqi Basin are controlled by multiple factors or geologic conditions or/and co-controlled by both of them. The qualitative and quantitative research on petroleum system and basin modeling will help us understand and determine the pool-forming period of the conserved unit (timing), the oil migrating direction (orientation), the oil accumulating region (location), the oil distributing border (bordering) and the size of oil accumulation (quantification). Thus the pool-forming and distribution zones can be predicted. 5.Three generating modes (reform-succession type, reform-destroyed type and reform-regenerating type or reform-newborn type) of pool forming for reformed basins are presented here, together with the inner relationships between basin deformation type, overlapping style and pool-forming modes. The pool-forming modes are determined by deformation type and overlapping style. Reservoir distribution will be predicted based on the modes and other concrete pool-forming conditions. 6.The evaluation methods of the conserved units and zones and the parameter selection are reliable in optimal selecting of target zones. The technical terms, new ideas and methods for the study of reformed basins, the pool-forming mechanism and reservoir prediction are presented in this paper. The concepts and terms, the identifying criterion, the denominating principles, the generating modes for pool forming, the methods of reservoir prediction, and the evaluation techniques for conserved units and zones can be used for reference in studies on the petroleum exploration of reformed basins in China and abroad. It serves as a typical example for further research of the reformed basins and the geologic regulations of oil accumulation. It has a practical value of use and reference. The future research in the field of pool-forming mechanism of the reformed basins may well be on the process simulation of pool-forming dynamics of the reformed basins. Experimental work has been conducted to simulate the processes by using quantitative and qualitative methods combined. The further study in this field calls for more efforts.

高含水油藏复合驱剩油分布研究-以羊三木油田馆陶组油藏复合驱为例

Based on the study of the combined flooding test block of Guantao formation in Third faulted block of Yangsanmu oil field, this paper carries out the integration of reservoir precise characterization for very high water cut reservoir, establishes precise 3D geologic model for high water cut development period and states the changing law of the reservoir architecture dtiring development by combined flooding. Then, by subdivided the thick oil reservoir, the study of remaining oil saturation monitoring in fiber glass cased well and tracer monitoring is developed. According the study of multiple constrained combined flooding reservoir numerical simulation, remaining oil distribution are predicted, the methods architecture of predicting remaining oil distribution are established for fluvial facies reservoir at late development stage, develops plan is designed and adjustment associating technologies for enhancing oil recovery. On these base, related measures for tapping the potential are given, it is verified and optimized through the field former test and the good economic effect is achieved . The major achievements of this paper are as follows. The changing law of the reservoir architecture and it's property parameters is revealed, The result indicates that the temperature-pressure of the injecting material and the interaction effect of the injecting material and reservoir petrography are the main factors of the dynamic changes of the reservoir architecture. The quantitative reservoir geologic model, which is tallied with dynamic reservoir parameters of the study area, is established. Subdivided the thick oil reservoir is very important for the study of the remaining oil distribution within the thick oil reservoir. Subdivided the thick oil reservoir technology, which consists of six technologies as follow: micro-cyclic divided, flow unit method, architectural element method, high resolution log technology, high resolution-process technology for normal logging data and using the production data is presented. 3. It is established dynamic monitoring system of remaining oil saturation quantitative research which are inner and interlayer remaining oil saturation from time-lapse logging in fiber glass cased well, inter-well remaining oil saturation from the technology of isotopic tracer monitoring technology, and 4d remaining oil saturation distribution from combined flooding numerical modeling integrated by production datao The forming mechanism of remaining oil for polymer flooding and alkali/polymer combined flooding is clarified, and the plane and vertical distribution law of remaining oil after combined flooding is revealed. Predicting methods and technologies for the combined flooding reservoir of fluvial facies is developed. Combined flooding has been achieved good displacement result in the pilot of Third fault block in Yangsanmu oil field, and accumulated types of important parameters and optimum plans, this technology of combined flooding is expected to increase recovery ratio by 4.77%.

Quantitative structure-property relationship research to the analysis of photoionization sensitivity of organic compounds in gas chromatography

The A(m) index and molecular connectivity index were used for studying the photoionization sensitivity of some organic compounds in gas chromatography. The analysis of structure-property relationship between the photoionization sensitivity of the compounds and the A(m) indices or molecular connectivity indices has been carried out. The genetic algorighm was used to build the correlation model in this field. The results demonstrate that the property of compounds can be described by both A(m) indices and molecular connectivity indices, and the mathematical model obtained by the genetic algorithm was better than that by multivariate regression analysis.

Environmental Mechanics Research in China

By recalling mankind's path during past 50 years in the present article, we mainly highlight the significance of environmental issues today. In particular, two major factors leading to environment deterioration in China such as water resources and coal burning are stressed on. Present-day environmental issues are obviously interdisciplinary, of multiple scales and multi-composition in nature. Therefore, a process-based approach for environment research is absolutely necessarily. A series of sub-processes, either physical, chemical or biological, are subsequently analyzed in order to established reasonable parameterization scheme and credible comprehensive model. And we are now in a position to answer questions still open to us, improve existing somewhat empirical engineering approaches and enhance quantitative accuracy in prediction. To illustrate this process-based research approach, three typical examples associated with the Yangtze River Estuary, Loess Plateau and Tenggeli Desert environments have been dealt with respectively. A theoretical model of vertical flow field accounting for runoff and tide interaction has been established to delineate salinity and sediment motion which are responsible for the formation of mouth bar at the outlet and the ecological evolution there. A kinematic wave theory combined with the revised Green-Ampt infiltration formula is applied to the prediction of runoff generation and erosion in three types of erosion region on the Loess Plateau. Three approaches describing water motion in SPAC system in arid areas at different levels have been improved by introducing vegetation sub-models. However, we have found that the formation of a dry sandy layer and biological crust skin are additional primary causes leading to deterioration of water supply and succession of ecological system.

A high throughput Nile red method for quantitative measurement of neutral lipids in microalgae

Isolation of high neutral lipid-containing microalgae is key to the commercial success of microalgae-based biofuel production. The Nile red fluorescence method has been successfully applied to the determination of lipids in certain microalgae, but has been unsuccessful in many others, particularly those with thick, rigid cell walls that prevent the penetration of the fluorescence dye. The conventional "one sample at a time" method was also time-consuming. In this study, the solvent dimethyl sulfoxide (DMSO) was introduced to microalgal samples as the stain carrier at an elevated temperature. The cellular neutral lipids were determined and quantified using a 96-well plate on a fluorescence spectrophotometer with an excitation wavelength of 530 nm and an emission wavelength of 575 run. An optimized procedure yielded a high correlation coefficient (R-2 = 0.998) with the lipid standard triolein and repeated measurements of replicates. Application of the improved method to several green algal strains gave very reproducible results with relative standard errors of 8.5%, 3.9% and 8.6%, 4.5% for repeatability and reproducibility at two concentration levels (2.0 mu g/mL and 20 mu g/mL), respectively. Moreover, the detection and quantification limits of the improved Nile red staining method were 0.8 mu g/mL and 2.0 mu g/mL for the neutral lipid standard triolein, respectively. The modified method and a conventional gravimetric determination method provided similar results on replicate samples. The 96-well plate-based Nile red method can be used as a high throughput technique for rapid screening of a broader spectrum of naturally-occurring and genetically-modified algal strains and mutants for high neutral lipid/oil production. (C) 2009 Published by Elsevier B.V.

Quantitative Determination of Microcystins in Rat Plasma by LC-ESI Tandem MS

A rapid and sensitive method was developed and validated for the determination of MCYST (microcystin)-RR, -LR, and [Dha(7)] MCYST-LR in rat plasma by liquid chromatography-tandem mass spectrometry. The analytes were extracted from rat plasma by protein precipitation, followed by solid-phase extraction. Liquid chromatography with electrospray ionization mass spectrometry, operating in selected reaction monitoring (SRM) mode, was used to quantify MCYST-RR, -LR, and [Dha(7)] MCYST-LR in rat plasma. The recoveries for each analyte in rat plasma ranged from 70.8 to 88.7%. The calibration curve was linear within the range from 0.005 to 1.25 mu g mL(-1). The limit of detection were 1.4, 1.0, 0.6 ng mL(-1) for MCYST-RR, -LR, and [Dha(7)] MCYST-LR. The overall precision was determined on three different days. The values for within- and between-day precision in rat plasma were within 15%. This method was applied to the identification and quantification of microcystins in rat plasma with acute exposure of microcystins via intravenous injection.

Detection and quantitative analysis of polychlorinated biphenyls in tilapia from Hawaiian waters

The purpose of this study was to investigate polychlorinated biphenyls (PCBs) contamination in tilapia (Oreochromis mossambicus) collected from the Manna stream and Ala Wai Canal of O'ahu, an island of the geographically isolated Hawaiian archipelago. Our results show that the average concentrations of PCBs varied from 51.90 to 89.42 ng g(-1) lipid weight for the sampling sites. Relative toxic potencies (RTPs) and toxic equivalencies (TEQs) were determined to be 20.38-40.60 ng TCDD g(-1) lipid weight and 2.89-4.17 ng TEQ g(-1) lipid weight by 7-ethoxy-resorufin-O-deethylase (EROD) activity analysis and calculation of PCB concentrations based on toxic equivalency factors (TEFs), respectively. Penta-chlorinated congeners were found to be predominant, which revealed that Aroclor 1254 was a possible major source of PCBs in our fish samples. PCB 118, an indicator PCBs, constituted more than 55% and 30% of the total PCBs and TEQs, respectively. In addition, PCB 118 was found to have a linear correlation to the total PCBs (R = 0.975) and TEQs (R = 0.782). Detection of concentrated PCBs in Hawaiian waters suggests a potentially adverse impact of this pollutant on human health, as well as ecological systems, and suggests the necessity of environmental monitoring and hazard assessment of PCBs within the Hawaiian Islands. (c) 2008 Published by Elsevier Ltd.

A new fluorescent quantitative PCR-based in vitro neutralization assay for white spot syndrome virus

A fluorescent quantitative PCR (FQ-PCR) assay utilizing SYBR green I dye is described for quantitation of white spot syndrome virus (WSSV) particles isolated from infected crayfish, Cambarus clarkii. For this assay, a primer set was designed which amplifies, with high efficiency and specificity, a 129 bp target sequence within ORF167 of the WSSV genome. Conveniently, WSSV particles can be added into the FQ-PCR assay with a simple and convenient method to release its DNA. To establish the basis for an in vitro neutralization test, primary cultures of shrimp cells were challenged with WSSV that had been incubated with a polyclonal anti-WSSV serum or with control proteins. The number of WSSV particles released from the cells after these treatments were assayed by FQ-PCR. This test may serve as a method to screen monoclonal antibody pools or recombinant antibody pools for neutralizing activity prior to in vivo animal experiments. (c) 2007 Elsevier B.V. All rights reserved.

Qualitative and semi-quantitative analysis of quaternary alkaloids in Coptis-scute herb couple by Electrospray mass Spectrometry

A practical solution of qualitatively analyzing quaternary alkaloids in coptis-scute herb couple by electrospray ionization mass spectrometry(ESI-MS) was developed. Without the complicated pretreatment of sample, the active ingredients including berberine, palmatine, coptisine, jatrorrhizine, epiberberine, and columbamine were identified and some relative content changing rules of alkaloids in coptis-scute couple were summarized in this article. The overall profiles of the complex extracts were obtained.

Effective descriptions of molecular structures and the quantitative structure - Activity relationship studies

In this research. we found CoMFA alone could not obtain sufficiently a strong equation to allow confident prediction for aminobenzenes. When some other parameter. such as heat of molecular formation of the compounds, was introduced into the CoMFA model, the results Were improved greatly. It gives us a hint that a better description for molecular structures will yield a better prediction model, and this hint challenged us to look for another method-the projection areas of molecules in 3D space for 3D-QSAR. It is surprising that much better results than that obtained by using CoMFA Were achieved. Besides the CoMFA analysis. multiregression analysis and neural network methods for building the models were used in this paper.

Identification of quantitative trait loci for growth-related traits in the Pacific abalone Haliotis discus hannai Ino

The locations and effects of quantitative trait loci (QTL) were estimated for nine characters for growth-related traits in the Pacific abalone (Haliotis discus hannai Ino) using a randomly amplified polymorphic DNA (RAPD), amplification fragment length polymorphism (AFLP) and SSR genetic linkage map. Twenty-eight putatively significant QTLs (LOD > 2.4) were detected for nine traits (shell length, shell width, total weight, shell weight, weight of soft part, muscle weight, gonad and digestive gland weight, mantle weight and gill weight). The percentage of phenotypic variation explained by a single QTL ranged from 8.0% to 35.9%. The significant correlations (P < 0.001) were found among all the growth-related traits, and Pearson's correlation coefficients were more than 0.81. For the female map, the QTL for growth were concentrated on groups 1 and 4 linkage maps. On the male map, the QTL that influenced growth-related traits gathered on the groups 1 and 9 linkage maps. Genetic linkage map construction and QTL analysis for growth-related traits are the basis for the marker-assisted selection and will eventually improve production and quality of the Pacific abalone.