Quantitation workstations

Correlated calculations, such as configuration interaction, DFT, MPn, and coupled cluster calculations, can be used to model small organic molecules with high-end workstations or supercomputers. These are some of the most accurate calculations done routinely. Correlation is not usually required for qualitative or even quantitative results for organic molecules. It is needed to obtain high-accuracy quantitative results. 

For analytical applications, chromatography will be preferred over PAGE where quantitative information is necessary and where automation is desired. As an instrumental technique, all components of a chromatographic analysis including injection, separation, detection, and data analysis are fully automated and under single-point control by the HPLC workstation. The limitation of serial... 

Whalen, K. M., Rogers, K. J., Cole, M. J., and Janiszewski, J. S. (2000). AutoScan An automated workstation for rapid determination of mass and tandem mass spectrometry conditions for quantitative bioanalytical mass spectrometry. Rapid Commun. Mass Spectrom. 14 2074-2079. 

K.M. Whalen, K.J. Rogers, M.J. Cole, J.S. Janiszewski, AutoScan an automated workstation for rapid determination of MS-MS conditions for quantitative bioanalytical MS, Rapid Commun. Mass Spectrom., 14 (2000) 2074. 

TOP is inherently a pulsed technique, and it couples readily to pulsed ionization methods, with MALDI being the most common example. A variety of MALDI-TOF mass spectrometers are offered by vendors. Examples include the Waters Micromass MALDI-LR, the Voyager-DE PRO Biospectrometiy Workstation from Applied Biosystems (separate from Applied Biosystems/MDS Sciex), and the ultraflex from Bruker Daltonics. MALDI-TOF makes its biggest impact in the area of protein and peptide identification and is presently little used for quantitative analysis because the shot-to-shot variation of signal amplitude makes quantitation difficult. 

H Huang, JR Kagel, DT Rossi. Automated solid-phase extraction workstations combined with quantitative bioanalytical LC/MS. J Pharm Biomed Anal 19 613-620, 1999. 

Whalen, K.M. Rogers, K.J. Cole, M.J. Janiszewski, J.S. AutoScan An Automated Workstation for Rapid Determination of Mass and Tandem Mass Spectrometry Conditions for Quantitative Bioanalytical Mass Spectrometry," Rapid Commun. Mass Spectrom. 14, 2074-2079 (2000). 

In addition to laboratoiy glassware and equipment necessary fOT cleanup of the extract, traditional pesticide residue methods require expensive chromatogrsqihic instrumentation for identification and quantitation of residues. EIA methods require minimal amounts of glassware, disposable plasticware, or other supplies. Quantitative EIAs often make use of 96-well microtiter plates fOT multiple simultaneous assays of about a dozen extracts and associated reference standard. Major equipment consists of a plate reader, which automatically measures the absorbance of each well. Plate readers can be used alone or in conjunction with a personal computer, which can correlate replicate measurements, construct the calibration curve, calculate results, and provide a complete statistical analysis. Such an EIA workstation can be obtained for roughly half the cost of the GC or HPLC system typically used for pesticide residue analysis. 

Responsibility 1. Evaluate facilities, products, systems, equipment, workstations, and processes by applying qualitative and quantitative techniques to identify the hazanls and assess the associated risks. 

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