取代芳烃的生物降解性与结构相关性研究

采用量子化学MOPAC－AM1法计算了42种取代芳烃的生成热Hf、分子最高占有轨道能EHOMO、分子量MW、分子总表面积TSA及偶极矩μ。分别采用线性回归分析法和人工神经网络法对所研究化合物的生物降解性参数BOD进行QSBR研究。对训练组而言，线性方法和神经网络法的平均预测误差分别为15．9％和11．4％；而测试组化合物的平均百分误差分别为14．5％和13．0％。无论对于测试组还是训练组，神经网络法的预测都更精确。     

校准曲线回归计算方法的比较

本文对目前国内所使用和已提出讨论的校准曲线回归计算方法与国际标准校准曲线回归计算方法进行了比较和讨论,表明无论采用何种回归方法进行计算,对测定结果的精密度和准确度均无显著影响。但为了使校准曲线的回归计算方法国际化、标准化,建议采用国际标准回归法。     

Fitting Data to Linear Combinations of Covariograms

We pursue a regression model for spatially-indexed data whose spatial correlation is determined by a linear combination of simple covariograms. The main interest lies in the estimation of the spatial parameters. As several common techniques appear ineffective for this setting, an algorithm is proposed to obtain parameter estimates and is assessed through simulation. It is found to provide greater stability than other methods of estimation. We discuss the influence of parametrization and site location on the efficacy of the estimation algorithms, and develop some guidelines as to the placement of sampling sites to improve the algorithm's performance. This revised version was published online in July 2006 with corrections to the Cover Date.     

The role of risk avoidance and locus of control in workers’ near miss experiences: Implications for improving safety management systems

The process industry has made major advancements and is a leader in near-miss safety management, with several validated models and databases to track close call reports. However, organizational efforts to develop safe work procedures and rules do not guarantee that employees will behaviorally comply with them. Assuming that at some point, every safety management system will need to be examined and realigned to help prevent incidents on the job, it is important to understand how personality traits can impact workers' risk-based decisions. Such work has been done in the mining industry due to its characteristically high risks and the results can be gleaned to help the process industry realign goals and values with their workforce. In the current study, researchers cross-sectionally surveyed 1,334 miners from 20 mine sites across the United States, varying in size and commodity. The survey sought to understand how mineworkers' risk avoidance could impact their near miss incidents on the job – a common precursor to lost-time incidents. Multiple regressions showed that as a miner's level of risk avoidance increased by 1 unit in the 6-point response scale, the probability of experiencing a near miss significantly decreased by 30% when adjusting for relevant control variables. Additionally, a significant interaction between risk avoidance and locus of control suggested that the effect of risk avoidance on near misses is enhanced as a miner's locus of control increases. A one-unit increase in locus of control appends the base effect of risk avoidance on near misses with an additional 8% decrease in the probability. Findings are discussed from a near-miss safety management system perspective in terms of methods to foster both risk avoidance and locus of control in an effort to reduce the probability of near misses and lost time at the organizational level within the process industry and other high-hazard industries.     

基于时间的进场航班效率评估方法研究

终端区作为空中交通的起讫点,是拥堵、延误的多发区,其运行效率对航班整体的运行效率至关重要。欧洲航行安全组织(EUROCONTROL)采用畅通进场时间(Unimpeded AMSA Time)作为量化进场效率的标杆。我国目前还没有明确的进场效率量化指标,因此可以借鉴畅通进场时间这个指标来评估进场效率。以首都机场为研究对象,首先对进港航班ADS-B数据进行预处理来计算进场时间,然后利用K-means聚类算法对航班进行分组,运用回归分析法找寻与终端区拥挤程度关联性最强的解释变量,提出关于畅通航班拥挤阈值的方法来计算畅通进场时间,最后用时间效率指标对进场效率进行评估,得出5月首都机场的进场效率为83. 39%,可为进场效能评估提供参考。     

REGION OF INFLUENCE REGRESSION FOR ESTIMATING THE 50-YEAR FLOOD AT UNGAGED SITES1

ABSTRACT: Five methods of developing regional regression models to estimate flood characteristics at ungaged sites in Arkansas are examined. The methods differ in the manner in which the State is divided into subregions. Each successive method (A to E) is computationally more complex than the previous method. Method A makes no subdivision. Methods B and C define two and four geographic subregions, respectively. Method D uses cluster/discriminant analysis to define subregions on the basis of similarities in watershed characteristics. Method E, the new region of influence method, defines a unique subregion for each ungaged site. Split-sample results indicate that, in terms of root-mean-square error, method E (38 percent error) is best. Methods C and D (42 and 41 percent error) were in a virtual tie for second, and methods B (44 percent error) and A (49 percent error) were fourth and fifth best.     

IMPROVING REGIONAL-MODEL ESTIMATES OF URBAN-RUNOFF QUALITY USING LOCAL DATA1

ABSTRACT: Urban water-quality managers need load estimates of storm-runoff pollutants to design effective remedial programs. Estimates are commonly made using published models calibrated to large regions of the country. This paper presents statistical methods, termed model-adjustment procedures (MAPs), which use a combination of local data and published regional models to improve estimates of urban-runoff quality. Each MAP is a form of regression analysis that uses a local data base as a calibration data set to adjust the regional model, in effect increasing the size of the local data base without additional, expensive data collection. The adjusted regional model can then be used to estimate storm-runoff quality at unmonitored sites and storms in the locality. The four MAPs presented in this study are (1) single-factor regression against the regional model prediction, P_u; (2) least-squares regression against P_u; (3) least-squares regression against P_u and additional local variables; and (4) weighted combination of P_u and a local-regression prediction. Identification of the statistically most valid method among these four depends upon characteristics of the local data base. A MAP-selection scheme based on statistical analysis of the calibration data set is presented and tested.     

GENERATION OF SYNTHETIC AND MISSING CLIMATIC DATA FOR PUERTO RICO1

ABSTRACT: Climatic data such as temperature, solar radiation, relative humidity, and wind speed have been widely used to estimate evapotranspiration. Moat of the solar radiation data and portions of the relative humidity data are either not available or missing from the records in Puerto Rico. Depending upon the availability and data characteristics of records, three methods (including a regression technique, an averaging of historical data, and a regional average) were used to generate missing data, and a time series analysis was used to synthesize a series of climatic data. The limitations and applicability of each method are discussed. The results showed that the time series analysis method can be successfully used to synthesize a series of monthly solar radiations for several stations. The regression technique and the regional average can be successfully applied to generate missing monthly solar radiation data. The regression technique and the averaging of historical data have been satisfactorily used to interpolate missing monthly relative humidity. The explained variance (R²) varied from 0.68 to 0.88, which are both significant at the 0.05 level of significance.     

STATISTICAL ANALYSIS OF THE IMPACT OF GROUND WATER PUMPAGE ON LOW-FLOW HYDROLOGY1

ABSTRACT: Ground-water pumpage withdrew 57 cubic feet per second from aquifers beneath the Yahara River Basin in 1970. Forty-six cubic feet per second were exported by the diversion of treated wastewater from the drainage basin. The low-flow hydrology of the upper Yahara River has been impacted by this diversion. Prior to 1959, the wastewater was discharged into the river, augmenting the baseflow during low-flow periods. As much as 85% of streamflow was due to effluent discharge. In 1959 the wastewater was transferred from the river basin. The result was a decrease of about one-third in mean annual streamflow, and a decrease of more than 50% in the 7Q₂ and 7Q₁₀. Regression analysis showed the annual 7-day low-flow and 60-day low-flow have a statistically significant correlation with mean annual flow. Using predictions of future mean annual discharge of the river with increasing interbasin transfers, it is shown that by 1990 there is a significant probability that in some years the 60-day low-flow in the river will be zero.