Analysis of the pungent principles of ginger and grains of paradise by high-performance liquid chromatography using electrochemical detection

Summary The pungent principles of ginger and grains of paradise are examined using a reversed-phase HPLC column. An electrochemical detector is used to selectively detect the phenolic gingerols and shogaols. The retention indices of the compounds are compared using methanowater and acetonitrile-water as eluents.Presented at the 14th International Symposium on Chromatography London, September, 1982     

Chemical reaction dynamics of PeCB and TCDD decomposition: A tight‐binding quantum chemical molecular dynamics study with first‐principles parameterization

The decomposition reaction dynamics of 2,3,4,4′,5‐penta‐chlorinated biphenyl (2,3,4,4′,5‐PeCB), 3,3′,4,4′,5‐penta‐chlorinated biphenyl (3,3′,4,4′,5‐PeCB), and 2,3,7,8‐tetra‐chlorinated dibenzo‐p‐dioxin (2,3,7,8‐TCDD) was clarified for the first time at atomic and electronic levels, using our novel tight‐binding quantum chemical molecular dynamics method with first‐principles parameterization. The calculation speed of our new method is over 5000 times faster than that of the conventional first‐principles molecular dynamics method. We confirmed that the structure, energy, and electronic states of the above molecules calculated by our new method are quantitatively consistent with those by first‐principles calculations. After the confirmation of our methodology, we investigated the decomposition reaction dynamics of the above molecules and the calculated dynamic behaviors indicate that the oxidation of the 2,3,4,4′,5‐PeCB, 3,3′,4,4′,5‐PeCB, and 2,3,7,8‐TCDD proceeds through an epoxide intermediate, which is in good agreement with the previous experimental reports and consistent with our static density functional theory calculations. These results proved that our new tight‐binding quantum chemical molecular dynamics method with first‐principles parameterization is an effective tool to clarify the chemical reaction dynamics at reaction temperatures. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

The index of ideality of correlation: improvement of models for toxicity to algae

Toxicity to algae is important characteristic of substances from ecologic point of view. The CORAL software (http://www.insilico.eu/coral) gives possibility to build up model of toxicity to algae using data on the molecular architecture and experimental toxicity, without additional data on physicochemical and/or biochemical parameters. Considerable improvement of the model is observed in the case of using the index of ideality of correlation (IIC) in the role of additional criterion of predictive potential. The IIC is calculated with using of the correlation coefficient between experimental and calculated values of endpoint for the calibration set, with taking into account the positive and negative dispersions between experimental and calculated values. The best model calculated with use the IIC is characterized (the validation set) by n?=?50, r²?=?0.947, RMSE?=?0.401 whereas, model calculated without use the IIC is characterized by n?=?50, r²?=?0.805, and RMSE?=?0.539. The suggested models are built up in accordance to five OECD principles.

     

Comparative analysis of the underground parts ofGentiana species by HPLC with diode-array and mass spectrometric detection

Summary The aim of this work was to compare the chemical composition of the underground parts (roots and rhizomes) ofGentiana cruciata L.,Gentiana pneumonanthe L., andGentiana asclepiadea L.— the three gentians native to Hungary—with that of the widely used stomachicGentiana lutea L., to determine which of the three Hungarian species could be used as a substitute forGentiana lutea in pharmaceutical preparations. The four gentians were compared by means of RPHPLC with diode-array detection (DAD) and electrospray ionization-mass spectrometric detection (ESI-MSD). The quantities of the lead compounds, the secoiridoid-glycosides, in 220 samples of the underground parts of gentians originating from several locations in Hungary, were determined by a more economical RPHPLC-DAD method. The occurrence of the characteristic compounds investigated—bitter principles and xanthones—in the underground parts of the speciesGentiana asclepiadea L. suggest it might be a potential replacement forGentiana lutea L. in pharmaceutical products. Presented at Balaton Symposium '01 on High-Performance Separation Methods, Siófok, Hungary, September 2–4, 2001     

"微机原理"与"汇编语言"两课整合的教学

《微型计算机原理及应用》与《汇编语言程序设计》是计算机应用专业的两门较重要的基础课程,也是教学难度和学习难度较大的两门课程,文章阐述了如何将这两门课程进行整合的教学改革和实践。     

关于完善会计专业判断的思考

专业判断是会计固有的职责,具有不可替创向应是培养会计人员的判断能力,使其熟练掌握会计专业判断的原则和方法,并通过构筑和完善专业判断的支撑环境,实现专业判断的合理化,加快国际化进程.     

爱因斯坦和玻尔的科学创新方法论原则

本文在深入研究、比较爱因斯坦和玻尔科学创新方法及其特点的基础上,揭示了科学创新活动应当遵循的方法论原则,即哲学思想渗透原则、逻辑思维与非逻辑思维相结合原则和思想实验与物质实验相结合原则。     

对我国生态环境保护的思考

论述了我国森林生态、农业生态、草地生态、水生态、矿产资源开发、生物多样性等方 面的生态环境保护的思路,讨论了生态环境保护的基本原则.     

英语词汇教学新探

现代英语词汇教学应遵循五个基本原则，即系统原则，交际原则，化原则，认知原则和情感原则，教师在词汇教学的各个阶段可有效帮助学生习得词汇，最终使学生在获得词汇知识的同时，又获得词汇能力。     

煤矿物资采购价值工程分析研究

就煤矿在物资采购当中存在的一些问题,经过应用ABC分析法分析,选择出了在物资采购当中应该重点采购和管理的重点物资根据价值工程原理对订购影响因素进行了功能和成本分析,建立了物资采购供应方选择决策模型,为煤矿企业的物资采购提供了有力的决策支持,对企业降低物资采购成本、提高物资采购效益有着重要的意义.