NAI
Robert Szilagyi
Montana State University
Research Activities
My primary goal is to contribute to the molecular understanding of the Hadean transition between what we consider non-living and living chemical components/building blocks using experimental and theoretical modeling approaches. Part of my research group is focusing on developing spectroscopic and computational modeling tools toward this goal. We synthesize small inorganic compounds, generate modified mineral surfaces, ordered particles, and amorphous precipitates as experimental models for the most likely chemical systems that we need to consider to describe chemically the Hadean conditions of lytho-, hydro-, and even atmospheres. We are a strong proponent of considering interfacial phenomena where catalytic transformations can take place efficiently (rate), and in preferable abundance (driving force). These synthetic systems are being probed by synchrotron-radiation enabled spectroscopic techniques. In particularly X-rays are capable of providing atomic scale information about both the geometric and electronic structures of the molecules. These experimental results combined with thermodynamic and kinetic information from the literature are brought together with computational modeling. The virtual chemical models for particle and mineral surfaces provide us a means to understand and interpret the experimental results. Even more importantly, we can use spectroscopically calibrated and experimentally validated levels of theory to provide predictions a priori to any experimental method and thus guide our wet laboratory work. During my group’s tenure as part of ABRC and the bigger NAI community, we wish to draw attention to the power of combined experimental and theoretical work that are carried out with great rigor, care, and high scientific fidelity and advocate that studies like these can provide us the key insights into the tantalizing transition that likely took place during the Hadean eon of Earth history and enabled life on our planet.
Selected Publications
Che Li, Gardenghi D.J., Szilagyi R.K., Minton T.K. Production of a Biomimetic Fe(I)-S Phase on Pyrite by Atomic Hydrogen Beam Surface Reactive Scattering Langmuir, 2011, 27(11), 6814-6821
Singireddy S, Gordon A.D., Smirnov A., Vance, M.A., Schoonen M.A.A., Szilagyi R.K., Strongin D.R. Reduction of Nitrite and Nitrate to Ammonium on Pyrite Astrobiology, 2011, submitted for publication
Current Projects
- Reactivity of Pyrite Surfaces With Thiomolybdate as Sorbate — 2012 NAI
- BioInspired Mimetic Cluster Synthesis: Bridging the Structure and Reactivity of Biotic and Abiotic Iron-Sulfur Motifs — 2012 NAI
- The ABRC Philosophy of Astrobiology and the Origin of Life Discussion Group — 2012 NAI
- Radical SAM Chemistry and Biological Ligand Accelerated Catalysis — 2012 NAI
- Surface Chemistry of Iron-Sulfur Minerals — 2012 NAI
- The ABRC Philosophy of Astrobiology and the Origin of Life Discussion Group — 2011 NAI
- Minerals to Enzymes: The Path to CO Dehydrogenase/Acetyl – CoA Synthase — 2011 NAI
- BioInspired Mimetic Cluster Synthesis: Bridging the Structure and Reactivity of Biotic and Abiotic Iron-Sulfur Motifs — 2011 NAI
- Radical SAM Chemistry and Biological Ligand Accelerated Catalysis — 2011 NAI
- Reactivity of Pyrite Surfaces With Thiomolybdate as Sorbate — 2011 NAI
- Surface Chemistry of Iron-Sulfur Minerals — 2011 NAI
- Rationalized Chemical Surface Modifications — 2010 NAI
- Surface Chemistry on Iron-Sulfur Minerals — 2010 NAI
- Minerals to Enzymes: The Path to CO Dehydrogenase/Acetyl – CoA Synthase — 2010 NAI
- X-Ray Characterization of Modified Fe-S Mineral Surfaces — 2010 NAI
- Virtual Catalysis From Molecular Beam Scattering — 2010 NAI
- Amino Acid Alphabet Evolution — 2009 NAI
- Structure, Function, and Biosynthesis of the Complex Iron-Sulfur Clusters at the Active Sites of Nitrogenases and Hydrogenases — 2009 NAI
- Molecular Beam Studies of Nitrogen Reactions on Iron-Sulfur Surfaces — 2009 NAI
- Computational Chemical Modeling the Link Between Structure and Reactivity of Iron-Sulfur Motifs — 2009 NAI
- Computational Chemical Modeling the Link Between Structure and Reactivity of Iron-Sulfur Motifs — 2008 NAI
- Structure, Function, and Biosynthesis of the Complex Iron-Sulfur Clusters at the Active Sites of Nitrogenases and Hydrogenases — 2008 NAI
- View all 22 projects
NAI Project Collaborators
- Project collaborators as reported by the latest NAI Annual Report.
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Publications
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Che, L., Gardenghi, D. J., Szilagyi, R. K., & Minton, T. K. (2011). Production of a Biomimetic Fe (I) -S Phase on Pyrite by Atomic Hydrogen Beam Surface Reactive Scattering. Langmuir, 27(11), 6814–6821. doi:10.1021/la2002833
See Project -
Grigoropoulos, A., & Szilagyi, R. K. (2010). Evaluation of biosynthetic pathways for the unique dithiolate ligand of the FeFe hydrogenase H-cluster. JBIC Journal of Biological Inorganic Chemistry, 15(8), 1177–1182. doi:10.1007/s00775-010-0698-y
See Project -
Grigoropoulos, A., & Szilagyi, R. K. (2011). In silico evaluation of proposed biosynthetic pathways for the unique dithiolate ligand of the H-cluster of [FeFe]-hydrogenase. Journal of Computational Chemistry, 32(15), 3194–3206. doi:10.1002/jcc.21901
See Project -
Harris, T. V., & Szilagyi, R. K. (2011). Comparative Assessment of the Composition and Charge State of Nitrogenase FeMo-Cofactor. Inorg. Chem., 50(11), 4811–4824. doi:10.1021/ic102446n
See Project -
Harris, T. V., & Szilagyi, R. K. (2011). Nitrogenase Structure and Function Relationships by Density Functional Theory. Methods in Molecular Biology, None, 267–291. doi:10.1007/978-1-61779-194-9_18
See Project -
Mulder, D. W., Ortillo, D. O., Gardenghi, D. J., Naumov, A. V., Ruebush, S. S., Szilagyi, R. K., … Peters, J. W. (2009). Activation of HydA ΔEFG Requires a Preformed [4Fe-4S] Cluster. Biochemistry, 48(26), 6240–6248. doi:10.1021/bi9000563
See Project See Project See Project -
Singireddy, S., Gordon, A. D., Smirnov, A., Vance, M. A., Schoonen, M. A. A., Szilagyi, R. K., & Strongin, D. R. (2012). Reduction of Nitrite and Nitrate to Ammonium on Pyrite. Orig Life Evol Biosph, 42(4), 275–294. doi:10.1007/s11084-012-9271-8
See Project See Project - Che, L., Gardenghi, D.J., Szilagyi, R.K. & Minton, T.K. (2010). Formation of Reduced Fe-S Phase upon Exposure of Pyrite to Atomic Hydrogen at Elevated Temperatures. In Preparation. See Project
- Koll, C.J., Vance, M. & Szilagyi, R.K. (2010). Coordination Chemical Models for Pyrite Surface Sites. In Preparation. See Project
- View all 9 publications
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Phone:
406-994-4263 -
Email:
szilagyi@montana.edu
Past NAI Teams
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University of Hawaii, Manoa
CAN 5 -
Montana State University
CAN 4