Study on Phenol Compounds Using Multiple Regression and Neural Network Methods

In this paper, the molecular connectivity indices and the electronic charge parameters of forty-eight phenol compounds nave been calculated. and applied for studying the relationship between partition coefficients and structure of phenol compounds. The results demonstrate that the properties of compounds can be described better with selective parameters, and the results obtained by neural network are superior to that by multiplle regression.

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

In this paper, the new topological indices A(x1)-A(x3) suggested in our laboratory and molecular connectivity indices have been applied to multivariate analysis in structure-property studies. The topological indices of twenty asymmetrical phosphono bisazo derivatives of chromotropic acid have been calculated. The structure-property relationships between colour reagents and their colour reactions with ytterbium have been studied by A(x1)-A(x3) indices and molecular connectivity indices with satisfactory results. Multiple regression analysis and neural networks were employed simultaneously in this study.

QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS FOR TOXICITY OF PHENOLS USING REGRESSION-ANALYSIS AND COMPUTATIONAL NEURAL NETWORKS

Quantitative structure-toxicity models were developed that directly link the molecular structures of a et of 50 alkYlated and/or halogenated phenols with their polar narcosis toxicity, expressed as the negative logarithm of the IGC50 (50% growth inhibitor

Altitudinal differences in the leaf fitness of juvenile and mature alpine spruce trees (Picea crassifolia)

In many plant species, leaf morphology varies with altitude, an effect that has been attributed to temperature. It remains uncertain whether such a trend applies equally to juvenile and mature trees across altitudinal gradients in semi-arid mountain regions. We examined altitude-related differences in a variety of needle characteristics of juvenile (2-m tall) and mature (5-m tall) alpine spruce (Picea crassifolia Kom.) trees growing at altitudes between 2501 and 3450 m in the Qilian Mountains of northwest China. We found that stable carbon isotope composition (delta C-13), area- and mass-based leaf nitrogen concentration (N-a, N-m), number of stomata per gram of nitrogen (St/N), number of stomata per unit leaf mass (St/LM), projected leaf area per 100 needles (LA) and leaf mass per unit area (LMA) varied nonlinearly with altitude for both juvenile and mature trees, with a relationship reversal point at about 3 100 m. Stomatal density (SD) of juvenile trees remained unchanged with altitude, whereas SD and stomatal number per unit length (SNL) of mature spruce initially increased with altitude, but subsequently decreased. Although several measured indices were generally found to be higher in mature trees than in juvenile trees, N-m, leaf carbon concentration (C.), leaf water concentration. (LWC), St/N, LA and St/LM showed inconsistent differences between trees of different ages along the altitudinal gradient. In both juvenile and mature trees, VC correlated significantly with LMA, N-m, N-a, SNL, St/LM and St/N. Stomatal density, LWC and LA were only significantly correlated with delta C-13 in mature trees. These findings suggest that there are distinct ecophysiological differences between the needles of juvenile and mature trees that determine their response to changes in altitude in semi-arid mountainous regions. Variations in the fitness of forests of different ages may have important implications for modeling forest responses to changes in environmental conditions, such as predicted future temperature increases in high attitude areas associated with climate change.

滑坡泥石流信息遥感获取与空间预测

On the issue of geological hazard evaluation（GHE）, taking remote sensing and GIS systems as experimental environment, assisting with some programming development, this thesis combines multi-knowledges of geo-hazard mechanism, statistic learning, remote sensing (RS), high-spectral recognition, spatial analysis, digital photogrammetry as well as mineralogy, and selects geo-hazard samples from Hong Kong and Three Parallel River region as experimental data, to study two kinds of core questions of GHE, geo-hazard information acquiring and evaluation model. In the aspect of landslide information acquiring by RS, three detailed topics are presented, image enhance for visual interpretation, automatic recognition of landslide as well as quantitative mineral mapping. As to the evaluation model, the latest and powerful data mining method, support vector machine (SVM), is introduced to GHE field, and a serious of comparing experiments are carried out to verify its feasibility and efficiency. Furthermore, this paper proposes a method to forecast the distribution of landslides if rainfall in future is known baseing on historical rainfall and corresponding landslide susceptibility map. The details are as following: (a) Remote sensing image enhancing methods for geo-hazard visual interpretation. The effect of visual interpretation is determined by RS data and image enhancing method, for which the most effective and regular technique is image merge between high-spatial image and multi-spectral image, but there are few researches concerning the merging methods of geo-hazard recognition. By the comparing experimental of six mainstream merging methods and combination of different remote sensing data source, this thesis presents merits of each method ,and qualitatively analyzes the effect of spatial resolution, spectral resolution and time phase on merging image. (b) Automatic recognition of shallow landslide by RS image. The inventory of landslide is the base of landslide forecast and landslide study. If persistent collecting of landslide events, updating the geo-hazard inventory in time, and promoting prediction model incessantly, the accuracy of forecast would be boosted step by step. RS technique is a feasible method to obtain landslide information, which is determined by the feature of geo-hazard distribution. An automatic hierarchical approach is proposed to identify shallow landslides in vegetable region by the combination of multi-spectral RS imagery and DEM derivatives, and the experiment is also drilled to inspect its efficiency. (c) Hazard-causing factors obtaining. Accurate environmental factors are the key to analyze and predict the risk of regional geological hazard. As to predict huge debris flow, the main challenge is still to determine the startup material and its volume in debris flow source region. Exerting the merits of various RS technique, this thesis presents the methods to obtain two important hazard-causing factors, DEM and alteration mineral, and through spatial analysis, finds the relationship between hydrothermal clay alteration minerals and geo-hazards in the arid-hot valleys of Three Parallel Rivers region. (d) Applying support vector machine (SVM) to landslide susceptibility mapping. Introduce the latest and powerful statistical learning theory, SVM, to RGHE. SVM that proved an efficient statistic learning method can deal with two-class and one-class samples, with feature avoiding produce ‘pseudo’ samples. 55 years historical samples in a natural terrain of Hong Kong are used to assess this method, whose susceptibility maps obtained by one-class SVM and two-class SVM are compared to that obtained by logistic regression method. It can conclude that two-class SVM possesses better prediction efficiency than logistic regression and one-class SVM. However, one-class SVM, only requires failed cases, has an advantage over the other two methods as only "failed" case information is usually available in landslide susceptibility mapping. (e) Predicting the distribution of rainfall-induced landslides by time-series analysis. Rainfall is the most dominating factor to bring in landslides. More than 90% losing and casualty by landslides is introduced by rainfall, so predicting landslide sites under certain rainfall is an important geological evaluating issue. With full considering the contribution of stable factors (landslide susceptibility map) and dynamic factors (rainfall), the time-series linear regression analysis between rainfall and landslide risk mapis presented, and experiments based on true samples prove that this method is perfect in natural region of Hong Kong. The following 4 practicable or original findings are obtained: 1) The RS ways to enhance geo-hazards image, automatic recognize shallow landslides, obtain DEM and mineral are studied, and the detailed operating steps are given through examples. The conclusion is practical strongly. 2) The explorative researching about relationship between geo-hazards and alteration mineral in arid-hot valley of Jinshajiang river is presented. Based on standard USGS mineral spectrum, the distribution of hydrothermal alteration mineral is mapped by SAM method. Through statistic analysis between debris flows and hazard-causing factors, the strong correlation between debris flows and clay minerals is found and validated. 3) Applying SVM theory (especially one-class SVM theory) to the landslide susceptibility mapping and system evaluation for its performance is also carried out, which proves that advantages of SVM in this field. 4) Establishing time-serial prediction method for rainfall induced landslide distribution. In a natural study area, the distribution of landslides induced by a storm is predicted successfully under a real maximum 24h rainfall based on the regression between 4 historical storms and corresponding landslides.