Engineering Commons^™

Open Source Software Toolchain For Automated Non‐Targeted Screening For Toxins In Alternative Foods, S. W. Breuer, L. Toppen, S. K. Schum, J. M. Pearce

Michigan Tech Publications

Previous published methods for non-targeted screening of toxins in alternative foods such as leaf concentrate, agricultural residues or plastic fed to biological consortia are time consuming and expensive and thus present accessibility, as well as, time-constraint issues for scientists from under resourced settings to identify safe alternative foods. The novel methodology presented here, utilizes a completely free and open source software toolchain for automatically screening unknown alternative foods for toxicity using experimental data from ultra-high-pressure liquid chromatography and mass spectrometry. The process uses three distinct tools (mass spectrometry analysis with MZmine 2, formula assignment with MFAssignR, and data filtering with …