Staff information

PNNL Publications

2023

• Lukoyanov D., Z. Yang, K. Shisler, J.W. Peters, S. Raugei, D.R. Dean, and L.C. Seefeldt, et al. 2023. "A Conformational Equilibrium in the Nitrogenase MoFe Protein with an a-V70I Amino Acid Substitution Illuminates the Mechanism of H2 Formation." Faraday Discussions 243. PNNL-SA-179825. doi:10.1039/D2FD00153E
• Tokmina-Lukaszewska M., Q. Huang, L. Berry, H. Kallas, J.W. Peters, L.C. Seefeldt, and S. Raugei, et al. 2023. "Fe protein docking transduces conformational changes to the MoFe nitrogenase active site in a nucleotide-dependent manner." Communications Chemistry 6. PNNL-SA-182764. doi:10.1038/s42004-023-01046-6

2021

• Huang Q., M. Tokmina-Lukaszewska, L.E. Johnson, H. Kallas, B. Ginovska, L.C. Seefeldt, and B.P. Bothner, et al. 2021. "Mechanical Coupling in the Nitrogenase Complex." PLoS Computational Biology 17, no. 3:e1008719. PNNL-SA-154305. doi:10.1371/journal.pcbi.1008719

2020

• Lukoyanov D., Z. Yang, D.R. Dean, L.C. Seefeldt, S. Raugei, and B. Hoffman. 2020. "Electron Redistribution within the Nitrogenase Active Site FeMo-cofactor During Reductive Elimination of H2 to Achieve N=N Triple-Bond Activation." Journal of the American Chemical Society 142, no. 52:21679-21690. PNNL-SA-154488. doi:10.1021/jacs.0c07914

2019

• Hoeke V., L. Tociu, D.A. Case, L.C. Seefeldt, S. Raugei, and B. Hoffman. 2019. "High resolution ENDOR spectroscopy combined with quantum chemical calculations reveals the structure of the nitrogenase Janus intermediate E4(4H)." Journal of the American Chemical Society 141, no. 30:11984-11996. PNNL-SA-143095. doi:10.1021/jacs.9b04474

2018

• Chen J.G., R.M. Crooks, L.C. Seefeldt, K.L. Bren, R.M. Bullock, M.Y. Darensbourg, and P.L. Holland, et al. 2018. "Beyond Fossil-Fuel-Driven Nitrogen Transformations." Science 360, no. 6391. PNNL-SA-130348. doi:10.1126/science.aar6611
• Peters J.W., D.N. Beratan, B.P. Bothner, R. Dyer, C. Harwood, Z.M. Heiden, and R. Hille, et al. 2018. "A new era for electron bifurcation." Current Opinion in Chemical Biology 47. PNNL-SA-138678. doi:10.1016/j.cbpa.2018.07.026
• Raugei S., L.C. Seefeldt, and B. Hoffman. 2018. "Critical Computational Analysis Illuminates the Reductive-Elimination Mechanism That Activates Nitrogenase for N2 Reduction." Proceedings of the National Academy of Sciences (PNAS) 115, no. 45:E10521-E10530. PNNL-SA-130353. doi:10.1073/pnas.1810211115
• Seefeldt L.C., B. Hoffman, J.W. Peters, S. Raugei, D.N. Beratan, E. Antony, and D.R. Dean. 2018. "Energy Transduction in Nitrogenase." Accounts of Chemical Research 51, no. 9:2179-2186. PNNL-SA-138677. doi:10.1021/acs.accounts.8b00112
• Seefeldt L.C., J.W. Peters, D.N. Beratan, B.P. Bothner, S.D. Minteer, S. Raugei, and B. Hoffman. 2018. "Control of electron transfer in nitrogenase." Current Opinion in Chemical Biology 47. PNNL-SA-138679. doi:10.1016/j.cbpa.2018.08.011

2017

• Khadka N., R.D. Milton, S. Shaw, D. Lukoyanov, D.R. Dean, S.D. Minteer, and S. Raugei, et al. 2017. "Mechanism of Nitrogenase H-2 Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects." Journal of the American Chemical Society 139, no. 38:13518-13524. PNNL-SA-128474. doi:10.1021/jacs.7b07311
• Lukoyanov D., N. Khadka, D.R. Dean, S. Raugei, L.C. Seefeldt, and B. Hoffman. 2017. "Photoinduced Reductive Elimination of H2 from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H2 Intermediate." Inorganic Chemistry 56, no. 4:2233-2240. PNNL-SA-123286. doi:10.1021/acs.inorgchem.6b02899

2016

• Danyal K., S. Shaw, T.R. Page, S.S. Duval, M. Horitani, A.R. Marts, and D. Lukoyanov, et al. 2016. "Negative cooperativity in the nitrogenase Fe protein electron delivery cycle." Proceedings of the National Academy of Sciences (PNAS) 113, no. 40:E5783-E5791. PNNL-SA-111505. doi:10.1073/pnas.1613089113
• Danyal K., S. Shaw, T.R. Page, S.S. Duval, M. Horitani, A.R. Marts, and D. Lukoyanov, et al. 2016. "Negative Cooperativity in the Nitrogenase Fe Protein Electron Delivery Cycle." Proceedings of the National Academy of Sciences (PNAS) 113, no. 40:E5783-E5791. PNNL-SA-120375. doi:10.1073/pnas.1613089113

2015

• Danyal K., A.J. Rasmussen, S.M. Keable, B.S. Inglet, S. Shaw, O. Zadvornyy, and S.S. Duval, et al. 2015. "Fe Protein-Independent Substrate Reduction by Nitrogenase MoFe Protein Variants." Biochemistry 54, no. 15:2456-2462. PNNL-SA-108124. doi:10.1021/acs.biochem.5b00140

2014

• Smith D.M., K. Danyal, S. Raugei, and L.C. Seefeldt. 2014. "Substrate Channel in Nitrogenase Revealed by a Molecular Dynamics Approach." Biochemistry 53, no. 14:2278-2285. PNNL-SA-98485. doi:10.1021/bi401313j