分子连接性指数预测有机物在水中的溶解度

MCI法是由Kier和Hall等人根据拓扑理论,在Randic分支指数基础上发展起来的一种新的拓扑方法.由于该法完全以分子结构为基础,并且具有计算简便、准确等优点,MCI法已被广泛地应用于有机物理化参数(如Kow,S),环境参数(如Koc,BCF)以及生物毒性的预测中.但是,当所研究化合物的种类比较复杂,不仅包括疏水性物质还包括有亲水性物质时,仅用简单的连接性指数往往不能得到满意的结果.非色散力因子(△X~v)是由简单分子连接性指数演化而来的.Bahnick等成功地应用△X~v对大量不同种类有机物的K_(oc)值进行了预测,张育红等也应用非色散力因子对部分取代芳烃对绿藻的毒性进行了成功的预测.本文对大量不同种类的有机物水溶解度采用MCI方法进行预测,发现简单分子连接性指数与非色散力因子同时使用能够有效地预测水溶解度.     

由水中气泡界面识别的散射光判定入射光强

光源的选择对研究水中气泡界面的光强非常重要。研究水中气泡流体可视化PIV技术时,如果CCD探测器已经获得某散射光的强度,反推照明光源的强度,这为流体可视化技术提供选择光源强度和光源位置的理论依据。首先导出散射光线与入射点的夹角公式,明确任一散射光的位置;再由CCD探测器获得某次散射光的强度,利用菲尼尔公式并考虑光的吸收导出入射点光源的光强公式;最后通过实验获得实验结果与理论值相吻合。     

部分宾馆室内挥发性有机物(VOCs)的初步研究

采用预处理系统 ,色谱 /质谱检测器联用的方法 ,对广州市不同类型宾馆室内空气中挥发性有机物(VOCs)进行了调查研究 .结果表明 ,大多数室内总挥发性有机物 (TVOCs)浓度在 2 0 0～ 10 0 0 μg·m-3 范围内 .室内装饰材料不同 ,挥发性有机物的种类和浓度有所区别 .在装饰条件、通风条件、温度、相对湿度大致相似时 ,装修时间越短 ,浓度越高 ,其浓度会随着装修时间的增加而下降     

水中健身，时尚的健身项目

水中健身在我国是一种新兴的体育健身活动，其影响力越来越大。本文采用文献资料法论证了水中健身的特点：增进健康，塑造形体性、群众参与性、目的针对性、形式多样性、安全性；水中健身的价值：健身价值、育心价值及培养终身体育的观念；及其美好前景。目的是给广大健身爱好者提供一种更安全有效的锻炼方式。     

Self-assembled structure of alkyloxy substituted benzoic acid methyl ester on HOPG：An STM study

Self-assembled structures of 3,4,5-tris-dodecy-loxy benzoic acid methyl ester (E12), 3,4,5-tris-tetradecy-loxy-benzoic acid methyl ester (E14) and their mixture (E12/E14) have been studied on HOPG by scanning tunneling microscopy (STM). Dimer-like patterns induced by dipole-dipole interaction are observed in E12 and E14 monolayers. The molecules form close-packed rows and interdigitate with the alkyl chains in adjacent molecules. The structural differences are proposed to be from the different length of substituted alkyl chains. Owing to similar adsorption energy, phase separation is observed in the E12 and E14 mixed adlayer with different domains.     

正确使用增氧机提高产量和效益

1.在夏秋季高温期间的晴天中午,特别是水质肥沃、浮游植物丰富的鱼塘要开启叶轮式增氧机2～3小时.因为这种天气水体表层溶解氧达到饱和,而水体底层溶解氧相对较低,叶轮式增氧机有向上提水的作用,使鱼塘水体垂直循环流动,一方面使整个鱼塘水体的溶解氧达到饱和状态,另一方面,把底层水中杂质冲上带到水面接受阳光曝晒,经过理化作用,使底层水中的有害物质散发到空气中,这样就起到净化、改良水质的作用.     

Fate of secondary effluent dissolved organic matter during soil-aquifer treatment

The reduction of mass and trihalomethane formation potential (THMFP) of dissolved organic matter (DOM) and its fractions from secondary effluent during laboratory-scale soil-aquifer treatment (SAT) soil columns were studied. Reduction in dissolved organic carbon (DOC), absorbance of ultraviolet light at 254 nm (UV-254), biodegradable dissolved organic carbon (BDOC) and nonbiodegradable dis- solved organic carbon (NBDOC) for the bulk DOM averaged 72.35%, 53.98%, 97.49% and 35.33% across the soil columns, respectively. Using XAD-8 and XAD-4 resins, DOM was fractionated into 3 fractions: hydrophobic acid (HPO-A), transphilic acid (TPI-A) and hydrophilic fraction (HPI). HPO-A was removed by 61.06%, TPI-A by 54.86% and HPI by 74.95% as DOC as a consequence of the laboratory-scale SAT, respectively. The reduction of THMFP from HPO-A, TPI-A and HPI was 27.24%, 26.24% and 36.08%, respectively. Proton nuclear magnetic resonance (1H-NMR) spectra revealed that the HPO-A isolated from the secondary effluent contained more aromatic functional groups than the corresponding TPI-A. Fourier-transform infrared (FT-IR) spectrum analysis illustrated that TPI-A had decreased hydrocarbon and increased aromatics content in the SAT columns. Specific ultraviolet light absorbance (SUVA) and specific THMFP for each DOM fraction increased across the soil columns and HPI exhibited greater increase in both than HPO-A and TPI-A. The most problematic THM precursor was found to be HPO-A with its high quantity present in recharged water and high chlorine reactivity.     

改进的价连接指数应用于有机物生物毒性的研究

用改进的分子价连接性拓扑指数^0χ^h、^1χ^h研究了卤代芳烃、醇和含氮杂环化合物对生物毒性的相关性(QSAR)，给出了相关方程。结果表明，新方法计算方便，物理意义明确，预测值与相应的实验值较吻合。