Online Data Processing Software in High-Throughput Screening Applications |
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| Heidi Fleischer, Khirendra Chemjong, Kerstin Thurow |
- Abstract:
- Measurement methods for the determination of the enantiomeric excess of chiral organic substrates usually are a bottleneck in high-throughput applications. Common analytical techniques such as liquid and gas chromatography, capillary electrophoresis, and spectroscopic techniques often require relative long measurement times and a high consumption of solvents and chiral materials. Hence, their application in high-throughput screening procedures is only possible to a limited extent. This requires the development of suitable measurement techniques, which enable the handling of high numbers of samples in a short time frame and which deliver relevant structural information. Parallel kinetic resolution in combination with mass spectrometry is a procedure for a fast and universally applicable enantiomeric excess determination. In previous studies high-throughput screening methods based on parallel kinetic resolution were developed for substance classes such as amino acids, amino alcohols, amino acid esters or natural chiral compounds. In such high-throughput measurements a high number of data points will be generated. Moreover, the data evaluation in enantiomeric excess determination includes some different steps compared to classical analytical tasks including a previous calibration based on the enantiomeric ratio. To provide additional functionalities, a software module based on Visual Basic was developed, which works in connection to the instruments workstation software. The processed mass spectrometric data of single substances or compound mixtures will be online evaluated synchronous to the measurements. Furthermore, the software module enables a final visualization and export of the results achieved. The software was applied in a high-throughput screening system, which includes a fully automated sample preparation, mass spectrometric measurements and data processing.
- Keywords:
- laboratory automation, automated sample preparation, software development, data processing, ESI-MS, chiral compounds, human health, environmental monitoring
- Download:
- IMEKO-TC19-2014-013.pdf
- DOI:
- -
- Event details
- IMEKO TC:
- TC19
- Event name:
- Methods and Advances in Measurement
- Title:
5th Symposium on Environmental Instrumentation and Measurements
- Place:
- Chemnitz, GERMANY
- Time:
- 23 September 2014 - 24 September 2014