tailieunhanh - HPLC for Pharmaceutical Scientists 2007 (Part 10)

In modern high-performance liquid chromatography (HPLC), computers in a broad sense are used in every instrumental module and at every stage of analysis. Computers control the flow rate, eluent composition, temperature, injection volume, and injection process. Detector output signal is converted from analog form into the digital representation to recognize the presence of peaks, and then at higher level of computer analysis a chromatogram is obtained. All these computer-based functions are performed in the background, and the chromatographer usually does not think about them. The second level of computer utilization in HPLC is extraction of valuable analytical. | 10 COMPUTER-ASSISTED HPLC AND KNOWLEDGE MANAGEMENT Yuri Kazakevich Michael McBrien and Rosario LoBrutto INTRODUCTION In modern high-performance liquid chromatography HPLC computers in a broad sense are used in every instrumental module and at every stage of analysis. Computers control the flow rate eluent composition temperature injection volume and injection process. Detector output signal is converted from analog form into the digital representation to recognize the presence of peaks and then at higher level of computer analysis a chromatogram is obtained. All these computer-based functions are performed in the background and the chromatographer usually does not think about them. The second level of computer utilization in HPLC is extraction of valuable analytical and physicochemical information from the chromatogram. This includes standard analytical procedures of peak integration calibration and quantitation and more complex correlation of the retention dependencies with variation of selected parameters. At the third and probably highest level a computer is used for the sophisticated analysis of many different experimental results stored in databases. This level is usually regarded as a knowledge management level and can have quite a variety of different goals Selection of the starting conditions for method development by using information of similar separations HPLC for Pharmaceutical Scientists Edited by Yuri Kazakevich and Rosario LoBrutto Copyright 2007 by John Wiley Sons Inc. 503 504 COMPUTER-ASSISTED HPLC AND KNOWLEDGE MANAGEMENT Optimization of the existing method to speed up the analysis increase ruggedness of the chromatographic method and so on Review of a multitude of data from different experiments and their correlation with information from other physicochemical methods Cross-laboratory information exchange early drug discovery preformulation groups drug metabolism and pharmokinetic groups drug substance and drug product groups In this chapter