What did scientists discover?
MagLab scientists developed custom software packages that give chemists using ion cyclotron resonance to study environmental and petrochemical samples a simple, automated way to analyze and visualize their data.
The two tools, EnviroOrg and PetroOrg, allow users to view molecular-level compositions of a wide variety of complex chemical mixtures that have been assigned with the highest possible confidence and according to high academic and industrial standards.
Why is this important?
The commercialization of these software platforms gives both academic and industrial scientists access to leading "Big Data" technologies, allowing them to make rapid, informed decisions based on advanced data analysis.
Who did the research?
Yuri E. Corilo 1,2, Ryan P. Rodgers 1,2, Christopher M. Hendrickson 1, Alan G. Marshall 1
1National High Magnetic Field Laboratory, Florida State University; 2Future Fuels Institute, Florida State University.
Why did they need the MagLab?
The unique capabilities of the mass spectrometry instruments at the MagLab were crucial to providing ultra-high-accuracy data to serve as the ideal training sets for software development. The Future Fuels Institute, a petroleum research institute that was spun-off from the MagLab, provided a problem-rich and data-rich environment for developing the PetroOrg software platform, from which EnviroOrg later evolved.
Details for scientists
- View or download the expert-level Science Highlight,
Tech transfer: EnviroOrg and PetroOrg chemical analysis software - Read the full-length publication, Polar Lipid Composition of Biodiesel Algae Candidates Nannochloropsis oculata and Haematococcus pluvialis from Nano Liquid Chromatography Coupled with Negative Electrospray Ionization 14.5 T Fourier Transform Ion Cyclotron Resonance Mass Spectrometry , in Energy Fuels
- Read the full-length publication, Calculation of the Total Sulfur Content in Crude Oils by Positive-Ion Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, in Energy Fuels
- Read the full-length publication, Oil Spill Source Identification by Principal Component Analysis of Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectra, in Anal. Chem.
Funding
This research was funded by the following grants: G.S. Boebinger (NSF DMR-1157490); Future Fuels Institute
For more information, contact Yuri Corilo.