High Resolution and Mass Accuracy Capability (HRMAC) Development Project
EMSL Project ID
49670
Abstract
Access to other FTMS instrumentation is important o successfully and rapidly implement first science applications, to facilitate parallel testing of spectrometer subsystems, and to perform cross platform baseline performance measurements. Fourier transform ion cyclotron mass spectrometry (FTICR-MS), the highest performance mass spectrometry technique, is uniquely valued as a research tool for analytical applications requiring the highest possible resolution and mass measurement accuracy. No known alternatives exist for achieving the highest levels of resolution and mass accuracy as obtainable with FTICR-MS. The design for an HRMAC system will comprise the design and construction of an advanced FTICR-MS system. A highfield, wide-horizontal bore magnet is critical to the design. While not previously constructed, two different vendors currently have demonstrated high probability of successfully delivering a magnet substantially exceeding homogeneity and field strength of current FTICR magnets. These designs are based on demonstrated manufacturing expertise using advanced superconducting magnet technology. As the design plan places priority on long lead time components that constrain the critical path of the project, awarding the acquisition contract for this magnet is EMSL’s highest priority. As the largest and longest lead time component of the HRMAC system, the magnet’s construction and delivery is the primary driver of the project schedule. The HRMAC system will provide a high-demand capability at EMSL that will address some of the most challenging compositional and structural analysis questions underlying complex chemical, biological, energy, and environmental problems and phenomena, including: - Biofuel and new energy sources development. - Efficient methods for carbon capture and sequestration. - Understanding biology of complex systems (e.g., microbial communities). - The transport and fate of key metals, metabolites, and toxic contaminants, including radionuclides and trace organics in the subsurface. A particularly important driver for this new capability is enhancing and extending EMSL’s leadership role in proteomics at both the peptide and intact protein level.
Project Details
Start Date
2016-11-01
End Date
2017-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Donnelly D.P., C.M. Rawlins, C.J. Dehart, L. Fornelli, L.F. Schachner, Z. Lin, and J. Lippens, et al. 2019. "Best practices and benchmarks for intact protein analysis for top-down mass spectrometry." Nature Methods 16, no. 7:587-594. PNNL-SA-141748. doi:10.1038/s41592-019-0457-0
Gargano A., J.B. Shaw, M. Zhou, C.S. Wilkins, T.L. Fillmore, R.J. Moore, and G.W. Somsen, et al. 2018. "Increasing the Separation Capacity of Intact Histone Proteoforms Chromatography Coupling Online Weak Cation Exchange-HILIC to Reversed Phase LC UVPD-HRMS." Journal of Proteome Research 17, no. 11:3791-3800. PNNL-SA-138847. doi:10.1021/acs.jproteome.8b00458
Kou Q, S Wu, N Tolic, L Pasa Tolic, Y Liu, and X Liu. 2016. "A mass graph-based approach for the identification of modified proteoforms using top-down tandem mass spectra." Bioinformatics 33(9):1309-1316. doi:10.1093/bioinformatics/btw806
Leduc RD, V Schwammle, MR Shortreed, AJ Cesnik, SK Solntsev, JB Shaw, MJ Martin, JA Vizcaino, E Alpi, P Danis, N Kelleher, LM Smith, Y Ge, JN Agar, JJ Chamot-Rooke, J Loo, L Pasa Tolic, and YO Tsybin. 2018. "ProForma: a Standard Proteoform Notation." Journal of Proteome Research 17(3):1321-1325. doi:10.1021/acs.jproteome.7b00851
Park JK, PD Piehowski, CS Wilkins, M Zhou, JA Mendoza, GM Fujimoto, Y Shen, AK Shukla, RJ Moore, T Liu, VA Petyuk, N Tolic, L Pasa Tolic, RD Smith, SH Payne, and S Kim. 2017. "Informed-Proteomics: Open Source Software Package for Top-down Proteomics." Nature Methods 14:909-914. doi:10.1038/nmeth.4388
Shaw J.B., M. Gorshkov, L. Pasa Tolic, and Q. Wu. 2018. "High Speed Intact Protein Characterization Using 4X Frequency Multiplication, Ion Trap Harmonization, and 21 Tesla FTICR-MS." Analytical Chemistry 90, no. 9:5557-5562. PNNL-SA-133517. doi:10.1021/acs.analchem.7b04606
Shaw J.B., N. Malhan, Y.V. Vasilev, N.I. Lopez, A. Makarov, J.S. Beckman, and V.G. Voinov. 2018. "Sequencing Grade Tandem Mass Spectrometry for Top-Down Proteomics Using Hybrid Electron Capture Dissociation Methods in a Benchtop Orbitrap Mass Spectrometer." Analytical Chemistry 90, no. 18:10819-10827. PNNL-SA-133760. doi:10.1021/acs.analchem.8b01901
Smith L.M., P.M. Thomas, M.R. Shortreed, L.V. Schaffer, R.T. Fellers, R.D. Leduc, and T.M. Tucholski, et al. 2019. "A five-level classification system for proteoform identifications." Nature Methods 16, no. 10:939-940. PNNL-SA-147035. doi:10.1038/s41592-019-0573-x
Staley C, AP Ferrieri, MM Tfaily, Y Cui, P Wang, RK Chu, JB Shaw, CK Ansong, HM Brewer, AD Norbeck, LM Markillie, FP do Amaral, T Tuleski, T Pellizzaro, BJ Agtuca, RA Ferrieri, S Tringe, L Pasa Tolic, G Stacey, and M Sadowsky. 2017. "Diurnal Cycling of Rhizosphere Bacterial Communities is Associated with Shifts in Carbon Metabolism." Microbiome 5(1):65. doi:10.1186/s40168-017-0287-1
Walker LR, MM Tfaily, JB Shaw, NJ Hess, L Pasa Tolic, and DW Koppenaal. 2017. "Unambiguous Identification & Discovery of Bacterial Siderophores by Direct Injection 21 Tesla Fourier Transform Ion Cyclotron Resonance Mass Spectrometry." Metallomics 9(1):82-92. doi:10.1039/c6mt00201c