酰胺类农药的分子中各种化学键的个数与其气相色谱相对保留值或相对响应值的相关关系研究

对避蚊胺、敌稗、甲草胺、乙草胺、氮酮、恶霜灵、甲霜灵、异丙甲草胺、腐霉利、苯噻草胺、噻嗪酮、丙草胺、丁草胺、异菌脲、噻螨酮、哒螨灵、脒鲜胺及定虫隆等18种酰胺类农药的气相色谱相对保留值或相对响应值与其化学结构的关系问题进行研究。采用多元线性拟合法，求出了分子中各种化学键的个数、部分分子连接性指数与其气相色谱相对保留值或相对响应值关系的回归方程，能得到方程的计算值与实验测定值一致的结果。     

12种脂肪酸的分子连接性指数与其气相色谱保留值的相关关系研究

对月桂酸、豆蔻酸、棕榈酸、油酸、亚油酸、亚麻酸、花生酸、花生烯酸、山嵛酸、芥酸、α-桐酸、蓖麻油酸等12种脂肪酸的气相色谱保留值与其化学结构的关系进行了探讨。计算了这些脂肪酸的部分分子连接性指数。采用多元线性拟合法,求出了各脂肪酸分子中各种碳原子的个数及分子连接性指数与其气相色谱保留关系的回归方程,得到了复相关系数≥0.99,F检验值远高于临界值的回归方程,方程预测的色谱保留值与文献值一致。     

多种农药产品的高效液相色谱分析及其定量结构-色谱保留关系研究Ⅰ.氨基甲酸酯类及酰胺类农药

对 8种氨基甲酸酯类农药和 8种酰胺类农药的高效液相色谱分析法进行了探讨。使用 ODS- C1 8(5μm)为固定相的 15 0 m m× 4.6 mm(i.d.)的不锈钢柱及甲醇 -水流动相 ,进行了这 16种农药的高效液相色谱测定。同时应用化学计量学的原理 ,对这些农药的定量结构与其色谱保留值的关系进行了研究。采用多元线性回归法 ,建立了试验农药的分子连接性指数以及理化参数与其色谱保留值关系的回归方程 ,能得到用这些方程的计算值与实验测定的保留值一致的结果     

氨基酸酯类农药的分子中各种原子的个数与其气相色谱相对响应值的相关关系研究

对灭多威、速灭威、异丙威、仲丁威、残杀威、克百威、抗蚜威、禾草丹、乙霉威、草除灵、恶霜灵、甲霜灵、恶草酮、噻螨酮、丁硫克百威等15种氨基酸酯类农药的气相色谱相对响应值与其它化学结构的关系进行了探讨。参照有效碳数法对分子中各种原子进行了分类，并采用多元线性拟合法，求出了分子中各种原子的个数与其色谱响应值关系的回归方程，能得到方程的计算值与实验测定值一致的结果，为实现在无标样的情况下进行农药样品的定量分析打下了基础。     

多种拟除虫菊酯类农药的同柱气相色谱分析法的系统选择及其理化参数与色谱保留值关系的初步探讨

本文对丙炔菊酯、甲醚菊酯、丙烯菊酯、氯烯炔菊酯、胺菊酯、甲氰菊酯、苯氰菊酯、氯菊酯、氯氰菊酯、氰戊菊酯、氟氯氰菊酯、氯氟氰菊酯、溴氰菊酯等 1 3种拟除虫菊酯类农药的同柱气相色谱分析法进行了系统选择研究。分别使用OV - 1 0 1及OV - 1 7为固定液的填充柱 ,进行了这 1 3种农药的气相色谱测定。同时对这些农药的相对分子质量、熔点、沸点及蒸气压等理化参数与它们的色谱保留值的关系问题进行了初步探讨。     

分子电距矢量对山矾花中头香成分气相色谱保留时间的估计和预测

用分子电距矢量(MEDV)描述子对22个从山矾花中分离出的头香成分的分子进行结构表征,对MEDV矢量和其气相色谱保留时间之间建立了定量结构-色谱保留值关系。线性回归10参数模型的复相关系数R达到了0 972,逐步回归5参数模型复相关系数R为0 952,交互检验的相关系数RCV值为0 882,表明模型对样本具有较好的稳定性能和预测能力。     

二(口恶)英类化合物多氯代二苯并呋喃色谱保留值与基团修饰指数的相关性

为了研究多氯代二苯并呋喃(PCDFs)的构效关系,采用基团修饰指数作为PCDFs的分子结构描述符,通过线性回归方法建立了色谱保留指数RI、相对保留时间RRT与分子结构描述符之间的定量关系模型,各样本总体模型的相关系数均在0.97以上,估算色谱保留指数RI的平均相对误差为1.09%.利用方程对另外一些二(口恶)英分子的气相色谱保留指数RI和相对保留时间RRT进行了预测,预测平均值和相同氯原子数的实验平均值较为吻合,预测能力优于文献.     

定量结构-色谱保留关系在分析化学中的研究进展

定量结构-色谱保留关系能够有效揭示化合物的色谱保留值与其分子微观结构间的关系,分析和预测未知化合物的色谱保留性质及分配机理,备受研究者关注.从预测未知物的色谱保留值、揭示色谱的分配机理以及新型描述符的提取和应用等方面综述了定量结构-色谱保留关系在分析化学中的研究进展,并展望了其应用前景.     

二口恶英类化合物多氯代二苯并呋喃色谱保留值与基团修饰指数的相关性

为了研究多氯代二苯并呋喃（PCDFs）的构效关系，采用基团修饰指数作为PCDFs的分子结构描述符，通过线性回归方法建立了色谱保留指数RI、相对保留时间RRT与分子结构描述符之间的定量关系模型，各样本总体模型的相关系数均在0.97以上，估算色谱保留指数RI的平均相对误差为1.09%.利用方程对另外一些二口恶英分子的气相色谱保留指数RI和相对保留时间RRT进行了预测，预测平均值和相同氯原子数的实验平均值较为吻合，预测能力优于文献.     

Porapak QS固定相的色谱性能研究

针对国外Porapak QS的色谱性能进行了研究，测定了极性常数(麦氏常数)，提出在柱温170℃测定其常数的方法，测定了热分析曲线和17种物质的相对保留值；对柱温与保留值、关系进行了研究。     

Thermodynamic interaction in polybutadiene/solute systems by inverse gas chromatography

The dependence of polymer-solute interactions on temperature In the range was 66 to 96°C was studied by inverse gas chromatography (IGC). A correlation equation was developed for estimation of the specific retention volume of nonpolar and slightly polar solutes in polybutadiene (PBD). Using equation of state solution theory, thermodynamic interaction was discussed in terms of contact energy and equation of state contributions in polybutadiene/solute systems. It was found that equation of state theory serves better than the Flory-Huggins theory as a comprehensive model to describe the temperature dependence of thermodynamic interaction.     

THEORY FOR STEP AND PULSE METHOD OF SUPERCRITICAL FLUID CHROMATOGRAPHY

1 INTRODUCTIONSupercritical fluid chromatography(SFC),employing supercritical fluid as mobilephase,originated in the 1960's [1-4].Since 1980's extensive research work has beenperformed on SFC,chiefly for analytical purposes [5,6].SFC was then adopted for thedetermination of thermodynamic properties such as partial molar volume,and partialmolar enthalpy of solutes in both mobile phase and stationary phase and the solutedistribution coefficient between two phases [7- 11].Partial molar properties can be de-     

有机物气相色谱保留指数的定量结构与性质相关性研究

把分子连接性指数 m X用于有机化合物气相色谱保留指数的结构——性质相关性研究中。并计算了 1 5个系列 1 0 8个分子的 0 X、1X值。发现m X与这些有机化合物的气相色谱保留指数有很好的相关性。相关系数均在 0 .99以上     

稀土元素螯合物分离和色谱定性测定

将化学性质近似的稀土元素转化为稳定而定量挥发的螯合物,可用气相色谱把他们良好分离。本文用H(TPM)配位体合成了Sc、Y、Er、Eu和La的螯合物,考察了其气相色谱的分离行为,讨论了该螯合物在气相色谱条件下,保留时间随稀土元素离子半径增大而增长的规律。     

光离子化气相色谱法对空气中挥发性有机物的测定研究

采用光离子化气相色谱仪新技术测定了室内空气中典型的挥发性有机化合物。研究了气相色谱仪柱温、载气压力对色谱峰的分辨率、保留时间和强度的影响,确定了光离子化气相色谱法测试苯系物的最佳条件,通过与传统FID气相色谱法的比对,结果表明:光离子化气相色谱法测定苯系物的灵敏度(检出限)比氢火焰离子化气相色谱法优于100倍以上,前者的分辨率也比后者的高。     

A study of some equation‐of‐state parameters of poly(methylhydrosiloxane‐co‐dimethylsiloxane) with some solvents by gas chromatography

Trace amount of methyl acetate, ethyl acetate, tert‐butyl acetate, pentane, hexane, and heptane were passed through the chromatographic column loaded with poly(methylhydrosiloxane‐co‐dimethylsiloxane) coated on Chromosorb W. The retention diagrams of the solvents on the copolymer were plotted by means of specific retention volumes at temperatures between 40 and 80°C by inverse gas chromatography technique. In this study, some thermodynamic interaction parameters such as Flory–Huggins polymer–solvent interaction parameter, equation‐of‐state polymer–solvent interaction parameter, effective exchange energy parameter, and weight fraction activity coefficients at infinite dilution of the solvent were determined. Then, the exchange enthalpy parameter and entropy parameter were determined by using a relation for the enthalpy interaction parameter of the equation‐of‐state theory, which is arranged for the inverse gas chromatography conditions. Later, the partial molar heat of sorption and the partial molar heat of mixing were obtained. The solubility parameter of this copolymer was determined as 6.64 (cal/cm³)^1/2 at room temperature. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 104: 1627–1631, 2007     

Retention volumes of organic substances on ester phases

Reliable methods of agreement does not exist between the chromatographic retention volumes of substances and their physicochemical properties. That is why it is impossible to predict these characteristics for unstudied substances. Well‐known works in this field have either qualitative character or give the results suitable only for homologous series. That is why it was very interesting to consider the available arrays of experimental data of gas‐liquid chromatography by means of Koppel‐Palm multi‐parameter equations. The individual characteristics of this equation are determined experimentally. The final multi‐parameter equation proposed by us was adequate for generalizing the retention‐time data for the polyester phase of substances with different structures and also for calculating this value for other (unstudied) substances on the basis their physicochemical characteristics. The generalizing equations permit us to draw conclusions about the nature of the processes taking place during the adsorption‐desorption of the substances in the stationary phase. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2007     

Correlation of retention times on liquid crystal capillary column with reported vapor pressures and half-lives of compounds used in pheromone formulations

A method has been developed to determine by capillary gas chromatography on liquid crystal stationary phases the relative vapor pressures and half-lives of many compounds used as insect pheromones. This study demonstrated that the retention time of seven acetates on a liquid crystal column (cholesteryl-p-chlorocinnamate) could be correlated closely to the reported vapor pressures of the compounds. For 13 additional pheromonal acetates and alcohols, reported half-lives showed a high degree of correlation with their retention times on the liquid crystal column. Thus chromatography on capillary liquid crystal gas Chromatographie columns appears to be a useful method for determining the relative volatilities of many pheromones to facilitate the development of more precise formulations.     

Measurement and correlation of vapor-liquid equilibria of the binary carbon dioxide-chloroform mixture system

Binary vapor liquid equilibrium data of the carbon dioxide+chloroform system were measured at five isotherms from 310.13 K to 333.32 K. A circulating type apparatus with on-line gas chromatography was used in this study. The experimental data were correlated by classical Peng-Robinson equation of state using van der Waals one fluid mixing rules and the multi-fluid nonrandom lattice fluid (MF-NLF) equation of state.     

合成甲醇液相产物的气相色谱分析

合成甲醇液相产物粗醇组分复杂,研究针对粗醇分析难问题提出采用先进的气相色谱分析手段对各组分进行定性和定量分析。该分析方法确保多种组分间分离好、拖尾小、保留值稳定,定量准确等优点。