黄土丘陵区农业生态安全评价指标体系初探

以纸坊沟流域为例,构建了黄土丘陵区流域农业生态安全评价指标体系。依据该流域近70 a来的农业生态安全状况,将该流域生态经济系统演变过程划分为4个阶段。从这4个阶段入手分析影响农业生态安全的主要因子,得出了一系列评价指标。结合选取指标的科学性、动态性、实用性等基本原则,参考压力—状态—响应(PSR)模型和多位专家的建议,进一步筛选、分类和确定评价指标,从而建立了一套由生态环境、社会经济、综合功能3大类,20个具体指标构成的适宜于黄土丘陵区的农业生态安全评价指标体系。

陕北黄土丘陵沟壑区土地利用景观格局动态变化特征分析

以位于典型黄土丘陵沟壑区的延安赵庄村为例,选取多样性、优势度、均匀度、破碎度和偏离度等主要指标,对村庄尺度上的土地利用景观格局动态变化进行分析研究。结果表明:1)研究期间,研究区景观斑块数与景观斑块密度增加,而平均斑块面积减少;2)研究区2个时期的景观异质性差异显著,景观指数变化表现为:优势度指数与偏离度指数减小,多样性指数、均匀度指数和破碎度指数都有不同程度的增大;3)6年来,随着退耕还林(草)政策的实施,研究区土地利用景观格局有了较大变化,生态环境整体状况趋于改善,农民收入有所增加,产业结构趋向合理,其中,工副业比例增大与种植业、养殖业、果菜比例减小是研究期间农民收入构成的主要变化特点,农民收入以工副业、果菜为主。

黄土高原降雨空间分布的不均匀性研究

根据黄土高原13条流域的降雨资料，分三种雨型即局地强对流条件引起的小范围、短历时、高强度的局地性暴雨（A型暴雨），峰面型降雨夹有局地雷暴性质的较大范围、中历时、中强度暴雨（B型暴雨），峰面型降雨引起的大面积、长历时、低强度暴雨（C型暴雨）；选用流域面雨量离差系数Cv、流域降雨不均匀系数η和流域最大点与最小点降雨量比值系数α三种指标，分析了次降雨空间分布的不均匀性。

陕北黄土高原可持续发展评价研究

通过对陕北黄土高原可持续发展评价指标体系和方法的初步研究 ,设计出了包括 1个高级综合指标——可持续发展综合指数、人口状况等 5个基本指标和人口自然增长率等 30个元素指标的层次性指标体系结构框架 ,熵技术支持下确定可持续发展指标权重的层次分析法 ,以及由递阶多层次综合评价、主成份分析和回归分析等数学方法所集成的可持续发展全面综合评价模型 ,并依次对该地区可持续发展现状及趋势进行了全面分析评价

The regional types of China's floating population: Identification methods and spatial patterns

With the rapid increase of the number and influence of floating population in China, it is urgently needed to understand the regional types of China's floating population and their spatial characteristics. After reviewing the current methods for identifying regional types of floating population, this paper puts forward a new composite-index identification method and its modification version which is consisted of two indexes of the net migration rate and gross migration rate. Then, the traditional single-index and the new composite-index identification methods are empirically tested to explore their spatial patterns and characteristics by using China's 2000 census data at county level. The results show: (1) The composite-index identification method is much better than traditional single-index method because it can measure the migration direction and scale of floating simultaneously, and in particular it can identify the unique regional types of floating population with large scale of immigration and emigration. (2) The modified composite-index identification method, by using the share of a region's certain type of floating population to the total in China as weights, can effectively correct the over- or under-estimated errors due to the rather large or small total population of a region. (3) The spatial patterns of different regional types of China's floating population are closely related to the regional differentiation of their natural environment, population density and socio-economic development level. The three active regional types of floating population are mainly located in the eastern part of China with lower elevation, more than 800 mm precipitation, rather higher population densities and economic development levels.

Study on QSPR of alcohols with a novel edge connectivity index F-m

A novel edge degree f(i) for heteroatom and multiple bonds in molecular graph is derived on the basis of the edge degree delta(e(r)). A novel edge connectivity index F-m is introduced. The multiple linear regression by using the edge connectivity index F-m and alcohol-type parameter delta, alcohol-distance parameter L can provide high-quality QSPR models for the normal boiling points (BPs), molar volumes (MVs), molar refraction (MRs), water solubility(log(1/S)) and octanol/water partition (logP) of alcohols with up to 17 non-hydrogen atoms. The results imply that these physical properties may be expressed as a liner combination of the edge connectivity index and alcohol-type parameter, 6, alcohol-distance parameter, L. For the models of the five properties, the correlation coefficient r and the standard errors are 0.9969,3.022; 0.9993, 1.504; 0.9992, 0.446; 0.9924,0.129 and 0.9973,0.123 for BPs, MVs, MRs, log(1/S) and logP, respectively. The cross-validation by using the leave-one-out method demonstrates the models to be highly reliable from the point of view of statistics.

H-1 NMR analysis for metabolites in serum and urine from rats administrated chronically with La(NO3)(3)

H-1 NMR spectroscopy has been used to assess long-term toxicological effects of a rare earth. Male Wistar rats were administrated orally with La(NO3)(3) at doses of 0.1, 0.2, 2.0, 10, and 20 mg/kg body wt, resp., for 3-6 months. Urine was collected at 1, 2, and 3 months and serum samples were taken after 6 months. Numerous low-M-r metabolites in rats serum and rats urine, including creatinine, citrate, glucose, ketone bodies, trimethylamine N-oxide (TMAO), and various amino acids, were identified on 400- and 500-MHz H-1 NMR spectra. La3+-induced renal and liver damage is characterized by an increase in the amounts of the excreted ketone bodies, amino acids, lactate, ethanol, succinate, TMAO, dimethylamine, and taurine and a decrease in citrate, glucose, urea, and allantoin. Information on the molecular basis of the long-term toxicity of La(NO3)(3) was derived from the abnormal patterns of metabolite excretions. An assay of some biochemical indexes and analysis of some enzymes in plasma supported NMR results.

Prediction of molar absorptivities of color reagents and their color reactions with yttrium by artificial neural networks

The new topological indices A(x1)-A(x3) suggested in our laboratories were applied to the study of structure-property relationships between color reagents and their color reactions with yttrium. The topological indices of twenty asymmetrical phosphone bisazo derivatives of chromotropic acid were calculated. The work shows that QSPR can be used as a novel aid to predict the molar absorptivities of color reactions and in the long term to be helpful tool in-color reagent design. Multiple regression analysis and neural network were employed simultaneously in this study. The results demonstrated the feasibility and the effectiveness of the method.

A QSAR of the toxicity of amino-benzenes and their structures

The quantum chemical parameters and the topological indices have been calculated for the prediction of the toxicity of amino-benzenes in the environment, and work has been done on the multiple regression and neural networks. The combination of CoMFA with formation heat yields greatly improved results. A good model has been obtained which provides a basis for the studies of the toxic action mechanism.

Correlation analysis of the structures and gas-liquid chromatographic retention indices of amines

Quantitative structure-retention relationship(QSRR) was studied for amines to gas-liquid chromatography on three stationary phases of different polarities with the topological indices A(m) (A(m1), A(m2), A(m3)) and gravitational index GI. The algorithm of "Leaps and Bounds" was performed for selection of the variables. And the multi-regression and the quasi-Newton neural networks were employed for the calculation with better results.

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.

Chemical environment code and measure of molecular similarity

A new scheme for the code of chemical environments of compounds is described in this paper, and three molecular similarity methods have been used to select nearest neighbors from four different types of probe compounds. One of the methods is based on the C-13 NMR spectra. The second method is based on the code of chemical environments and molecular topological index A(x). The third approach, i.e. the Tanimoto coefficient, is also based on the code of chemical environments, but not to use the topological index. Five nearest neighbors for each probe compound using these three molecular similarity methods were determined and taken from the database of 7309 structures. The results indicate that the scheme of the chemical environment code and the method for similarity measure of intermolecules suggested in this study are reasonable. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

Linear and nonlinear optical properties of KNbO3

Linear and nonlinear optical (NLO) properties of KNbO3 in various phases are calculated from their crystal structures. Nonlinear optical tensor coefficients are found to be very sensitive to the atomic geometry, changing as much as 85% between the ferroelectric tetragonal and rhombohedral phases. The predicted principal refractive indices are also found to be sensitive to their structural changes. In the tetragonal phase KNbO3 has the largest NLO responses, in the orthorhombic phase KNbO3 has the relative larger NLO coefficients, and in the rhombohedral structure KNbO3 has the large and homogeneous NLO properties. (C) 1998 Elsevier Science B.V. All rights reserved.

Comparison of non-linear optical susceptibilities of KNbO3 and LiNbO3

From the chemical bond viewpoint, second-order non-linear optical (NLO) tenser coefficients of KNbO3 and LiNbO3 crystals have been calculated. By using the bond-valence theory of complex crystals and the modified bond-charge model, we were able to determine contributions of each type of constituent chemical bond to the total second-order NLO susceptibility. The tenser values thus calculated are in good agreement with experimental data. From the comparison of NLO tenser coefficients of these two crystals, we found that the major NLO contributors are KO12 groups and LiO6 octahedra not the distorted NbO6 octahedra. The difference between their NLO properties arises from their different structural characters, and the high coordination number of constituent elements in KNbO3 makes its valence electrons become more delocalised compared with those of LiNbO3. (C) 1997 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationships for colour reagents and their colour reactions with cerium using computational neural networks

Quantitative structure-activity/property relationships (QSAR/QSPR) studies have been exploited extensively in the designs of drugs and pesticides, but few such studies have been applied to the design of colour reagents. In this work, the topological indices A(x1)-A(x3) suggested in this laboratory were applied to multivariate analysis in structure-property studies. The topological indices of 43 phosphone bisazo derivatives of chromotropic acid were calculated. The structure-property relationships between colour reagents and their colour reactions with cerium were studied using A(x1-Ax3) indices with satisfactory results. The purpose of this work was to establish whether QSAR can be used to predict the contrasts of colour reactions and in the longer term to be a helpful tool in colour reagent design.