Analysis strategies automation

High-throughput laboratories have turned to assay automation, N-in-one (sample pooling) analysis strategies, and elaborate set-ups for parallel chromatography30 33 to increase capacity and decrease turn-around time. Despite the relatively fast speed of HPLC/MS, this step still creates a bottleneck in ADME work flow. Xu et al.32 reported a fast method for microsomal sample analysis that yields 231 data points per hour using a complex eight-column HPLC/MS set-up. 

The rapid structure identification of metabolites is a powerful complement to previously described quantitative approaches. The utility of an automated metabolite identification approach, using LC/MS/MS with an ion trap mass spectrometer has been demon-strated.f In this study, MS" analysis is automated to provide maximum structural information in combination with predictive strategies for biotransformation. Automated data-dependent scan functions are used to generate full scan, MS/MS, and MS" mass spectra of... 

The present chapter does not consider analysis of extracted protein biomarkers but rather focuses on strategies for rapid chemotaxonomic analysis of intact microorganisms with automated sample manipulation. Rapid means less than 5 minutes. Advantages of the application of bioinformatics and proteomics strategies for rapid identification of microorganisms include the following ... 

Laboratory automation in pharmaceutical analysis attained maturity since robots first appeared in pharmaceutical laboratories more than 20 years ago. While automation offers great promise for improving sample throughput and reducing sample backlog, its implementation has not been without problems. The industry cannot invest heavily in tools that produce little return on investment. Strategies in key aspects of automation such as planning, vendor selection, personnel, and efficient use of systems can determine the success or failure of an automation project. 

A second strategy relies on parallel experimentation. In this case, the same experimental step is performed over n samples in n separated vessels at the same time. Robotic equipment such as automated liquid-handlers, multi-well reactors and auto-samplers for the analysis are used to perform the repetitive tasks in parallel. This automated equipment often works in a serial fashion as, for example, a liquid handler with a single dispensing syringe filling the wells of a microtiter plate, one after another. However, the chemical formation of the catalyst or the catalytic reaction are run at the same time, assuming that their rate is slow compared to the time needed to add all the components. The whole process appears parallel for the human user whose intervention is reduced. 

Analysis of analytical requirement in such detail may at first sight seem daunting, but the investment in time will be of great value. Embarking on such an exercise should not necessarily end in an automated instrument—it is perfectly possible that the end result is that the analyses are discontinued owing to Hmited value in the results. However, in the main, a compromise but easy-to-use automatic solution will result which will be used reliably on a routine basis. One of the major questions that needs to be resolved is how in general terms the analyses should be carried out. Some of the available strategies are outhned later in this chapter. 

The Strategy conveyed in this paper permits coherent results from an automated CA while using flexible residues. By testing all the starting models over the entire range of < ) and P, parallel sets of data were obtained that were submitted to a simple program for final analysis. This minimizes the personal time required to produce a... 

For a detailed comparison of some popular automated model building packages, see Badger (2003). For an analysis of structural features and their relationship to model building strategies, see Morris (2004). Further details should be sought in the original articles. 

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