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Semi-Automated NMR Metabolite Profiling Software


EMSL Project ID
60117

Abstract

NMR is powerful tool to identify and quantify metabolites in biological systems, and EMSL's NMR instrumentation makes automated data acquisition routine. However, the key downstream data processing steps of metabolite identification and quantification are currently lengthy manual processes dependent on proprietary software. An open-source, end-to-end, semi-automated processing framework is needed to make NMR sample analysis more efficient, reproducible, and higher throughput. As a first step towards that goal, we will develop a robust suite of software tools to quantify metabolite abundances, which is the most time-consuming element of the downstream data processing pipeline.

Project Details

Start Date
2021-10-01
End Date
2022-09-30
Status
Closed

Team

Principal Investigator

Javier Flores
Institution
Pacific Northwest National Laboratory

Co-Investigator(s)

Lisa Bramer
Institution
Pacific Northwest National Laboratory

Team Members

Anastasiya Prymolenna
Institution
Pacific Northwest National Laboratory

Sarah Flowers
Institution
Pacific Northwest National Laboratory

Allison Thompson
Institution
Environmental Molecular Sciences Laboratory

Robert Young
Institution
Environmental Molecular Sciences Laboratory