Mark J. Nilges

Research Assistant Professor, School of Molecular and Cellular Biology

Adjunct Professor, Department of Geological Sciences, University of Saskatchewan

Assistant Director and Lab Manager, Illinois EPR Research Center

Contact Information:

Telphone: 217-333-3969

Fax: 217-333-6686

E-mail: _mjnilges_ at_illinois.edu_

EPR Simulation Software Page

Research Interests:

Multi-frequency and high-frequency EPR with emphasis on the determination of structure of metal complexes and semiquinone radicals.
Study of metal and radical centers in biological materials, proteins, and enzymes.
Development of EPR computer simulation techniques and modeling of strain in heterogeneous solids and polymers.
Development of high-frequency instrumentation.
Molecular orbital calculations of spin-Hamiltonian parameters and modeling of spin probes to gauge local environments.

Recent Publications:

M. Mao, M. J. Nilges & Y. Pan, “Radiation-induced defects in apophyllites. II. An O- centre and O−−O− pairs in hydroxylapophyllite,” European Journal of Mineralogy, 22:ppp(2010). [Abstract]

E. Rodríguez, M. Nilges, R. Weissleder, and J. W Chen, “Activatable magnetic resonance imaging agents for myeloperoxidase sensing: mechanism of activation, stability and toxicity,” J. Am. Chem. Soc., 132:168–177(2010). [Abstract]

N. M. Marshall, D. K. Garner, T. D. Wilson, Y. Gao, H. Robinson, M. J. Nilges and Y. Lu, “Rationally Tuning the Reduction Potential of a Single Cupredoxin Beyond the Natural Range,” Nature, 462:113-6(2009). [Abstract]

G. S. Siluvai, M. M. Nakano, M. J Nilges, and N. J Blackburn, “H135A Controls The Redox Activity of the Sco Copper Center. Kinetic and Spectroscopic Studies of the His135Ala Variant of Bacillus Subtilis Sco,” Biochemistry, 48:12133–12144(2009). [Abstract]

Y. Pan, M. J. Nilges, and R. Mashkovtsev, “Radiation-induced defects in quartz: Multifrequency EPR study and DFT modeling of new peroxy radicals,” Mineralogical Magazine, 73:521–537(2009). [Abstract]

Nilges, M.J., Pan, Y. & Mashkovtsev, R.I. “Radiation-induced defects in quartz. Part III. W-band EPR, ENDOR and ESEEM study of a peroxy radical., Phys. Chem. Minerals., 36:61–73 (2009). [Abstract]

J. Backiel, O. Juárez, D. V. Zagorevski, Z. Wang, M. J. Nilges, and B. Barquera, “RnfG and RnfD bind FMN covalently in the Rnf complex from Vibrio cholerae,” Biochemistry, 47:11273–11284 (2008). [Abstract]

O. Juárez, M. J. Nilges, P. Gillespie, J. Cotton, and B. Barquera, “Riboflavin Is an Active Redox Cofactor in the Na+-pumping NADH:Quinone Oxidoreductase (Na+-NQR) from Vibrio cholerae,” J. Biol. Chem.,283:33162-33167 (2008). [Abstract]

A. K. Justice, L. De Gioia, M. J. Nilges, T. B. Rauchfuss, S. R. Wilson, and G. Zampella, “Redox and Structural Properties of Mixed-Valence Models for the Active Site of the [FeFe]-Hydrogenase: Progress and Challenges,” Inorg. Chem. 47:7405–7414 (2008). [Abstract]

Y. Pan, M. J. Nilges, and R. Mashkovtsev, Radiation-induced defects in quartz. Part II. “Single-crystal W-band EPR study of hole centers in a citrine quartz,” Phys. Chem. Minerals., 35:387–397 (2008).

Botis, S., Pan, Y., Nokhrin, S. & Nilges, M.J., Natural radiation-induced damage in quartz. III. A single-crystal EPR study of drusy quartz from the Athabasca basin, Saskatchewan. Canadian Mineralogist, Vol. 46: 122-135(2008). [Abstract]

M. G. Savelieff, T. D. Wilson, Y. Elias, M. J. Nilges, D. K. Garner, and Y. Lu, “Experimental evidence for a link among cupredoxins: Red, blue, and purple copper transformations in nitrous oxide reductase,” PNAS, 105: 7919-7924(2008). [Abstract]

A. K. Justice, M. J. Nilges, T. B. Rauchfuss, S. R. Wilson, L. De Gioia and G. Zampella, “Diiron Dithiolato Carbonyls Related to the HoxCO State of [FeFe]-Hydrogenase,” J. Am. Chem. Soc.; 130, 5293–5301, (2008). [Abstract]

Botis, S., Pan, Y., Nokhrin, S. and Nilges, M.J., Natural radiation-induced damage in quartz. III. A single-crystal EPR study of drusy quartz from the Athabasca basin, Saskatchewan. Canadian Mineralogist, Vol. 46: 122-135(2008). [Abstract]

M. J. Nilges, Y. Pan, and R. Mashkovtsev, Radiation-damage-induced defects in quartz. I. Single-crystal W-band EPR study of hole centers in an electron-irradiated quartz, Phys. Chem. Minerals.,35:103–115 (2008). [Abstract]

R. A. Pugh, M. Honda, H. Leesley, A. Thomas, Y. Lin, M. J.Nilges, I. K.O. Cann, and M. Spies, The iron-containing domain is essential in RAD3 helicases for coupling of ATP hydrolysis to DNA translocation and for targeting the helicase to the ssDNA-dsDNA junction. J Biol Chem., 283, 1732-1743 (2008). [Abstract]

B. E. Weiner, H. Huang, B. M. Dattilo, M. J. Nilges, E. Fanning, and W. J. Chazin, An Iron-Sulfur Cluster in the C-terminal Domain of the p58 Subunit of Human DNA Primase. J Biol Chem., 282, 33444-51(2007). [Abstract]

B. Barquera, L. Ramirez-Silva, J. E. Morgan, and M. J. Nilges, ‘A new flavin radical signal in the Na+-pumping NADH: Quinone oxidoreductase from Vibrio cholerae: An EPR/ENDOR investigation of the role of the covalently bound flavins in subunits B and C,” J. Biol. Chem., 281, 36482-36491(2006). [Abstract]

M. J. Nilges, K. Matteson, R.L.Belford, “SIMPOW6: A software package for the simulation of ESR powder-type spectra” in ESR Spectroscopy in Membrane Biophysics, Biological Magnetic Resonance, Vol. 27, Hemminga, Marcus A., and Berliner, Lawrence Eds. Springer, New York, ISBN: 0-387-25066-2 (2006).

S. M. Nokhrin, Y. Pan, and M. J. Nilges, “Electron paramagnetic resonance spectroscopic study of carbonate-bearing fluorapatite: New defect centers and constraints on the incorporation of carbonate ions in apatites,” American Mineralogist, 91, 1425-1431(2006). [Abstract]

Weisser, J. T., Nilges, M. J., Sever, M. J., and Wilker, J. J., “EPR Investigation and Spectral Simulations of Iron-Catecholate Complexes and Iron-Peptide Models of Marine Adhesive Cross-Links,” Inorg. Chem.; 2006; 45, 7736 – 7747(2006). [Abstract]

Luisa Andruzzi, Michiko Nakano, Mark J. Nilges, and Ninian J. Blackburn, "Spectroscopic Studies of Metal Binding and Metal Selectivity in Bacillus subtilis BSco, a Homologue of the Yeast Mitochondrial Protein Sco1p," J. Am. Chem. Soc.; 127(47); 16548 - 16558(2005).[Abstract]

S.M. Nokhrin and Y. Pan, J.A. Weil, M.J. Nilges, "Multifrequency EPR Study of Radiation-Induced Defects in Chlorapatite," Canadian Mineralogist, 43, 1581-1588(2005) [Abstract]

Hee Jung Hwang, Steven M. Berry, Mark J. Nilges, and Yi Lu, "Axial Methionine Has Much Less Influence on Reduction Potentials in a Cu_A Center than in a Blue Copper Center," J. Am. Chem. Soc.; 127(20); 7274 - 7275(2005). [Abstract]

Xuan Zhao, Mark J. Nilges, and Yi Lu, "Redox-Dependent Structural Changes in an Engineered Heme-Copper Center in Myoglobin: Insights into Chloride Binding to Cu_B in Heme Copper Oxidases," Biochemistry; 44(17); 6559 - 6564(2005). [Abstract]

Blanca Barquera, Mark J. Nilges, Joel E. Morgan, Leticia Ramirez-Silva, Weidong Zhou, and Robert B. Gennis, " Mutagenesis Study of the 2Fe-2S Center and the FAD Binding Site of the Na+-Translocating NADH:Ubiquinone Oxidoreductase from Vibrio cholerae," Biochemistry, 43(38); 12322-12330(2004) [Abstract]

Martina Ralle, Steven M. Berry, Mark J. Nilges, Matt D. Gieselman, Wilfred A. van der Donk, Yi Lu, and Ninian J. Blackburn, "The Selenocysteine-Substituted Blue Copper Center: Spectroscopic Investigations of Cys112SeCys Pseudomonas aeruginosa Azurin," J. Am. Chem. Soc.; 126(23), 7244-7256(2004); [Abstract]

Hurth, K. M.; Nilges, M. J.; Carlson, K. E.; Tamrazi, A.; Belford, R. L.; Katzenellenbogen, J. A.; "Ligand-Induced Changes in Estrogen Receptor Conformation As Measured by Site-Directed Spin Labeling," Biochemistry ; 43(7), 1891-1907(2004); [Abstract]

P. Rahimi-Moghaddam, Y. Upadrashta, M.J. Nilges, and J.A. Weil, “EPR of Manganese-Containing Plasticine -Spectral Simulation and Use as an Internal Standard for Comparison of the Single Intensities of Various Free-Radical EPR Spectra,” Appl. Magn. Res., 24, 13-125(2003); [Abstract]

Barquera, B., Morgan, J. E., Lukoyanov, D., Scholes, C. P., Gennis, R. B., and Nilges, M. J., "X- and W-band EPR and Q-band ENDOR studies of the flavin radical in the Na+-translocating NADH:quinone oxidoreductase from Vibrio Cholerae," J. Am. Chem. Soc., 125, 265-275(2003); [Abstract]

Pan, Y., Fleet, M.E., Chen, N., Weil, J. A., and Nilges, M. J., "Site preference of Gd in synthetic flourapatite by single-crystal W-band EPR and X-ray structure refinement: A comparative study," Canadian Mineralogist, 40,1103-1112(2002); [Abstract]

Pan, Y., Chen, N., Weil, J. A., and Nilges, M. J., Structural characterization of sub-ppm-level trace elements: Single-crystal W-band EPR study of Gd and Mn in fluorapatite, American Mineralogist, 87, 1333-1341(2002); [Abstract]

Steven M. Berry, Matt D. Gieselman, Mark J. Nilges, Wilfred A. van der Donk, and Yi Lu ; An Engineered Azurin Variant Containing a Selenocysteine Copper Ligand, Journal of the American Chemical Society; 124(10); 2084-2085(2002); [Abstract]

Blanca Barquera, Petra Hellwig, Weidong Zhou, Joel E. Morgan, Claudia C. Häse, Khoosheh K. Gosink, Mark Nilges, Peter J. Bruesehoff, Annette Roth, C. Roy D. Lancaster, and Robert B. Gennis ; Purification and Characterization of the Recombinant Na+-Translocating NADH:Quinone Oxidoreductase from Vibrio cholerae, Biochemistry; 41(11); 3781-37899(2002); [Abstract]

Electron paramagnetic resonance spectroscopic study of synthetic fluorapatite: Part II. Gd³⁺ at the Ca1 site, with a neighboring Ca2 vacancy, Ning Chen, Yuanming Pan, John A. Weil, and Mark J. Nilges, American Mineralogist, 87, 47-55(2002); [Abstract]

Last Updated on January, 2010