The algorithm on automated aromaticity perception of molecules

It is important to detect the aromaticity of structures during the process of structure elucidation and output. In this paper, an alogrithm was proposed to detect the aromaticity of structures by the use of algorithm on ring identification. The results show that it could be used to identify most of the aromatic structure. It have been used as constraints of Expert System on Elucidation Structure of Organic Compounds(ESESOC) and a good result has been achieved.

Rapid automated in-situ monitoring of total dissolved iron and total dissolved manganese in underground water by reverse-flow injection with chemiluminescence detection during the process of water treatment

Measurement of iron and manganese is very important in evaluating the quality of natural waters. We have constructed an automated Fe(II), total dissolved iron(TDI), Mn(II), and total dissolved manganese(TDM) analysis system for the quality control of underground drinking water by reverse flow injection analysis and chemiluminescence detection(rFIA-CL), The method is based on the measurement of the metal-catalyzed light emission from luminol oxidation by potassium periodate. The typical signal is a narrow peak, in which the height is proportional to light emitted and hence to the concentration of metal ions. The detection limits were 3 x 10(-6) mu g ml(-1) for Fe(II) and the linear range extents up to 1.0 x 10(-4) and 5 x 10(-6) mu g ml(-1) for Mn(II) cover a linear range to 1.0 x 10(-4) mu g ml(-1). This method was used for automated in-situ monitoring of total dissolved iron and total dissolved in underground water during water treatment. (C) 1997 Elsevier Science B.V.

基于Arc Hydro Tools的流域特征自动提取——以贵州省内乌江流域为例

简要回顾和讨论了基于栅格数字高程模型(DEM)自动提取流域特征的原理和方法，介绍了一个新的基于ArcGIS开发的提取流域特征的工具Arc Hydro Tools，基于Arc Hydro Tools 提取流域特征包括5 个流程：DEM 的预处理、水流流向的确定、汇流栅格图的生成、河网的自动生成、子流域边界的划分。最后以贵州省内乌江流域为研究区进行了试验，试验结果表明：提取结果的精度在总体上是符合要求的，但在地势平坦区或人类活动干扰较大的地区，提取的结果与实际相差较大。从提取的效率和试验结果的精度两方面来看，基于Arc Hydro Tools 的流域特征自动提取是切实可行的。