Recent literature has described the exciting development of a new universal detection technology for high-performance liquid chromatography (HPLC), as well as some exploratory work on its application to quantitative measurement of solutes at millimolar concentrations. The new methodology, known as charged aerosol detection (CAD), has been recognized as a viable alternative to evaporative light-scattering detection and refractive index detection that, like CAD, respond to molecular structures independently of their absorbance, or lack thereof, in the ultraviolet region of the electromagnetic spectrum. In this article, the authors exemplify their use of CAD in-line with HPLC and mass spectrometry (MS) to provide both stand-alone and complementary information that aids decision making for sample storage and processing practices in the compound management setting. Illustrations include monitoring contaminants leached from different plate materials into the solvent dimethyl sulphoxide (DMSO) and profiling the concentrations of solutions destined for liquid storage and dispensing to assays, with the aim of improving processes.
A new approach to the storage, processing, and interrogation of the quality data for screening samples has improved analytical throughput and confidence and enhanced the opportunities for learning from the accumulating records. The approach has entailed the design, development, and implementation of a database-oriented system, capturing information from the liquid chromatography-mass spectrometry capabilities used for assessing the integrity of samples in AstraZeneca's screening collection. A Web application has been developed to enable the visualization and interactive annotation of the analytical data, monitor the current sample queue, and report the throughput rate. Sample purity and identity are certified automatically on the chromatographic peaks of interest if predetermined thresholds are reached on key parameters. Using information extracted in parallel from the compound registration and container inventory databases, the chromatographic and spectroscopic profiles for each vessel are linked to the sample structures and storage histories. A search engine facilitates the direct comparison of results for multiple vessels of the same or similar compounds, for single vessels analyzed at different time points, or for vessels related by their origin or process flow. Access to this network of information has provided a deeper understanding of the multiple factors contributing to sample quality assurance.
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