利用碎片常数和结构因子法估测农药在正辛醇／水相中的分配系数

本文详细阐述了用碎片常数与结构因子法估测农药在正辛醇与水相体系中分配系数的方法，并对６０种农药分配系数的估测结果与用经典的摇瓶测试法得到的实测值进行了比较，结果表明：估测结果与实测值基本吻合，碎片常数和结构因子估测法可以作为获得农药分配系数的另一种途径。     

Secondary metabolism — evolution and function: Products or processes?

Summary The distinguishing characteristics of secondary metabolism and its associated metabolites are outlined. Current theories relating to the function of secondary metabolism in plants and micro-organisms are enumerated and the view that consideration of the processes rather than the products may best explain the origins of secondary metabolism is discussed.     

An architectural model of spring wheat: Evaluation of the effects of population density and shading on model parameterization and performance

ADELwheat is an architectural model that describes development of wheat in 3D. This paper analyzes the robustness of the parameterization of ADELwheat for spring wheat cultivars in relation to plant population density and shading. The model was evaluated using data from two spring wheat experiments with three plant population densities and two light regimes. Model validation was done at two levels of aggregation: (a) by comparing parameterization functions used as well as parameter values to the data (leaf and tiller appearance, leaf number, blade dimensions, sheath length, internode length) and (b) by comparing ground cover (GC) and leaf area index (LAI) of simulated virtual wheat plots with GC and LAI calculated from data. A sensitivity analysis was performed by modulating parameters defining leaf blade dimensions and leaf or tiller appearance rate.In contrast to population density, shading generally increased phyllochron and delayed tiller appearance. Both at the level of the organ and at the level of the canopy the model performed satisfactorily. Parameterization functions in the model that had been established previously applied to independent data for different conditions; GC and LAI were simulated adequately at three population densities. Sensitivity analysis revealed that calibration of phyllochron and blade area needs to be accurate to prevent disproportional deviations in output.The robustness of the model parameterization and the simulation performance confirmed that the model is a complete architectural model for aboveground development of spring wheat. It can be used in studies that require simulation of spring wheat structure, such as studies on plant–insect interaction, remote sensing, and light interception.     

分子连接性指数对部分有机污染物溶解度及疏水参数的预测

以化学键为基础定义了键连接性指数和分子键连接性指数，分子键连接性指数与卤代烷、环烷烃、烷基苯和含氧原子醇、酮、醚及卤代苯等有机污染物的溶解度和辛醇／水分配系数都具有良好的线性关系，使用该模型对化合物的溶解度及疏水参数的估算结果接近实验值，能很好地反映有机化合物的结构特性，可应用于不饱和碳氢体系和各类杂原子体系，且具有良好的预测能力。     

编码输入法在PCB分配参数预测中的应用

根据Free-Wilson法中化合物结构表达的思想，采用两种简单的编码输入方法对58个多氯联苯(PCB)的结构进行表征，并基于模型简单性原则对多元线性回归(MLR)与误差反向传递(BP)人工神经网络、模拟退火(SA)人工神经网络和遗传算法(GA)人工神经网络PCB分配参数预测模型的预测能力进行了比较，试验证实，粗略考虑PCB结构对称性的简单编码输入规则可以简化PCB分配参数预测模型的数字形式，所获得的MLR模型具备广泛的应用前景。     

煤矿井下气候参数和劳动强度对矿工生理参数影响的研究

对机械化采煤工作面的采煤机司机和支柱工的劳动心率和能量代谢进行了现场实测。就气候参数和劳动强度对作业人员的生理参数影响进行了模拟实验,取得一些实验研究成果。对改善劳动条件和作业环境,提高生产效率,保护井下矿工的身心健康与安全,提供了科学依据。     

长江上游沿江产业带产业结构演进研究

长江上游沿江产业带是一个资源富集,开发潜力巨大的区域,既是长江产业带的重要组成部分,也是西南地区经济发展的重心地带。区域经济的快速发展有赖于区域产业结构的有序演进。本文在分析长江上游沿江产业带产业结构演进背景－产业基础,经济基础,资源基础和宏观环境的基础上,根据国外产业结构演进手一般经验,对本区产业结构演进的历史进程和目前所处阶段进行了分析和判定。     

NONLINEAR MODELING AND PREDICTION OF A RIVER FLOW SYSTEM1

ABSTRACT: Model estimation and prediction of a river flow system are investigated using nonlinear system identification techniques. We demonstrate how the dynamics of the system, rainfall, and river flow can be modeled using NARMAX (Nonlinear Autoregressive Moving Average with eXogenuous input) models. The parameters of the model are estimated using an orthogonal least squares algorithm with intelligent structure detection. The identification of the nonlinear model is described to represent the relationship between local rainfall and river flow at Enoree station (inputs) and river flow at Whitmire (output) for a river flow system in South Carolina.     

太原市大气扩散示踪试验

太原市位于山西中部,东、西两山夹峙,汾河南北中贯,地形北部较高,南部开放,西部有一缺口,是一个封闭不完全的盆地。风速较小,1971—1980年平均风速为2.5m/s,静风频率为24％。在无系统天气过境时,近地层气象十分复杂,城南和城北、河东和河西的地面风往往不同。 近年来,太原市大气污染日趋严重,我们于1985年10—11月在太原地区进行了大气扩散示踪试验,以期能对该地区大气污染物的输送和扩散有所了解。