Processing and Managing Analytical Data to Extract and Share Knowledge – How Far We’ve Come and Why It’s So Hard?
Poster Apr 04, 2012
Michael Boruta and Sanjivanjit K. Bhal, Advanced Chemistry Development, Inc.
The Spectrus Processor supports optical, curves, MS and NMR methods.
For anyone looking to work with analytical chemistry data there are a number of basic workflow steps that need to be addressed:
• Import analytical data and meta data
• Process and interpret data to enhance knowledge extraction, and for reporting
• Associate structures and correlate with analytical data
• Create customized databases containing structures, band assignments, spectra, and text data
• Share a database and the knowledge it contains with associates in the next building, in another country, or somewhere in the future
Determination of the Fat Content Profile of different Chocolate Products using an Automated Workflow for the Generation of Fatty Acid Methyl Esters (FAME)Poster
The method allows for automated determination of total fat content and quantitative analysis of saturated and unsaturated cis- and trans- fatty acids of different chocolate products.READ MORE
Fast Pesticide Residue Analysis Using a Novel Benchtop Time-of-Flight Mass SpectrometerPoster
The objective of the study was to maximize throughput without introducing a significant number of additional chromatographic co-elutions not separable by deconvolution, whilst transitioning from a standard 30 m column to a 15 m column using LECO's software.READ MORE
Investigating the Effects of Fructose Consumption and Inadequate Copper Intake on Nonalcoholic Fatty Liver DiseasePoster
Metabolomics is a viable method for identifying compounds associated with NAFLD. In this investigation, high-quality data facilitate the identification of key metabolites differentiating normal versus diseased species.READ MORE
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