EPR Electron Paramagnetic Resonance Research Center

School Affiliated departments and LAS

Publication List - Mark Nilges, PhD

Matson EM, Gordon Z, Lin B, Nilges MJ, Fout AR., "Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere." Dalton Trans., 43, 16992-16995(2014). [doi: 10.1039/C4DT02327G]

Liu J, Meier KK, Tian S, Zhang JL, Guo H, Schulz CE, Robinson H, Nilges MJ, Münck E, Lu Y. "Redesigning the blue copper azurin into a redox-active mononuclear nonheme iron protein: preparation and study of Fe(II)-M121E azurin." J Am Chem Soc., 136:12337-44(2014). [doi: 10.1021/ja505410u]

Chakraborty S, Reed J, Ross M, Nilges MJ, Petrik ID, Ghosh S, Hammes-Schiffer S, Sage JT, Zhang Y, Schulz CE, Lu Y. "Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase." Angew Chem Int Ed Engl. 53:2417-21(2014). [doi: 10.1002/anie.201308431]

Sieracki NA, Tian S, Hadt RG, Zhang JL, Woertink JS, Nilges MJ, Sun F, Solomon EI, Lu Y. "Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin." Proc Natl Acad Sci U S A. 111:924-9 (2014). [doi: 10.1073/pnas.1316483111]

Yu Y, Mukherjee A, Nilges MJ, Hosseinzadeh P, Miner KD, Lu Y. "Direct EPR observation of a tyrosyl radical in a functional oxidase model in myoglobin during both H2O2 and O2 reactions."J Am Chem Soc. 136:1174-7(2014). [doi: 10.1021/ja4091885]

Pan Y & Nilges MJ, "Electron paramagnetic resonance spectroscopy: Basic principles, experimental techniques and applications to Earth and planetary sciences." Reviews in Mineralogy and Geochemistry, 78: 655-690(2014). [doi 10.2138/rmg.2014.78.16]

Li R, Lin J, Nilges, MJ, Chen N & Pan Y, "Arsenic speciation in danburite (CaB2Si2O8): A synchrotron XAS and single-crystal EPR study." European Journal of Mineralogy, 26: 115-126(2014). [doi:10.1127/0935-1221/2014/0026-2358]

Lin J, Chen N, Nilges MJ & Pan Y "Arsenic speciation in synthetic gypsum (CaSO4.2H2O): A synchrotron XAS, single-crystal EPR and pulsed ENDOR study." Geochimica et Cosmochimica Acta, 106: 524-540(2013). [doi:10.1016/j.gca.2012.12.019]

Wang W, Nilges MJ, Rauchfuss TB, Stein M. "Isolation of a mixed valence diiron hydride: evidence for a spectator hydride in hydrogen evolution catalysis." J Am Chem Soc. 135:3633-9( 2013). [doi: 10.1021/ja312458f]

Huang D, Lin J, Nilges, MJ & Pan Y, "Local structures and effects of Cr3+ and Fe3+ in the p-type semiconductor CuAlO2." Physica Status Solidi B, 249: 1559-1565(2012). [doi: 10.1002/pssb.20114]

Otoikhian A, Barry AN, Mayfield M, Nilges M, Huang Y, Lutsenko S, Blackburn NJ., "Lumenal Loop M672-P707 of the Menkes Protein (ATP7A) Transfers Copper to Peptidylglycine Monooxygenase," J. Am. Chem. Soc., 134:10458–10468(2012). [doi: 10.1021/ja301221s]

Schilter D, Nilges MJ, Chakrabarti M, Lindahl PA, Rauchfuss TB, Stein M, "Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active site." Inorg Chem. 51(4):2338-48(2012). [doi: 10.1021/ic202329y]

Wilson TD, Savelieff MG, Nilges MJ, Marshall NM, Lu Y..,"Kinetics of copper incorporation into a biosynthetic purple Cu(A) azurin: characterization of red, blue, and a new intermediate species." J Am Chem Soc. 133(51):20778-92(2011). [doi: 10.1021/ja205281t]

Juárez O, Morgan JE, Nilges MJ, Barquera B, "Energy transducing redox steps of the Na+-pumping NADH:quinone oxidoreductase from Vibrio cholerae.," Proc Natl Acad Sci U S A. 107(28):12505-10(2010). [doi: 10.1073/pnas.1002866107]

Clark KM, Yu Y, Marshall NM, Sieracki NA, Nilges MJ, Blackburn NJ, van der Donk WA, Lu Y., "Transforming a blue copper into a red copper protein: engineering cysteine and homocysteine into the axial position of azurin using site-directed mutagenesis and expressed protein ligation.," J Am Chem Soc. 132(29):10093-101(2010). [doi: 10.1021/ja102632p]

Ringenberg MR, Nilges MJ, Rauchfuss TB, and Wilson SR, "Oxidation of Dihydrogen by Iridium Complexes of Redox-Active Ligands," Organometallics, 29(8):1956–1965(2010). [10.1021/om9010593]

Siluvai GS, Mayfield M, Nilges MJ, Debeer George S, Blackburn NJ, "Anatomy of a red copper center: spectroscopic identification and reactivity of the copper centers of Bacillus subtilis Sco and its Cys-to-Ala variants.," J Am Chem Soc. 132(14):5215-26(2010). [doi: 10.1021/ja910759v]

Wang W, Wang K, Liu YL, No JH, Li J, Nilges MJ, Oldfield E, "Bioorganometallic mechanism of action, and inhibition, of IspH." Proc Natl Acad Sci U S A. 107(10):4522-7(2010). [doi: 10.1073/pnas.0911087107]

Mao M, Nilges MJ, & Pan Y, "Single-crystal EPR and ENDOR study of an Al−O− center in prehnite: Implications for aluminum-associated oxyradicals in layer silicates." European Journal of Mineralogy, 22: 381-392 (2010). [doi: 10.1127/0935-1221/2010/0022-2023]

Mao M, Nilges MJ, & Pan Y, “Radiation-induced defects in apophyllites. II. An O- centre and O−−O− pairs in hydroxylapophyllite,” European Journal of Mineralogy, 22:ppp(2010). [doi: 10.1127/0935-1221/2009/0021-1974]

Rodríguez E, Nilges M, Weissleder R, Chen JW, “Activatable magnetic resonance imaging agents for myeloperoxidase sensing: mechanism of activation, stability and toxicity,” J. Am. Chem. Soc., 132:168–177(2010). [doi: 10.1021/ja905274f]

Marshall NM, Garner DK, Wilson TD, Gao YG, Robinson H, Nilges MJ, Lu Y., “Rationally Tuning the Reduction Potential of a Single Cupredoxin Beyond the Natural Range,” Nature, 462:113-6(2009). [doi: 10.1038/nature08551]

Siluvai GS, Nakano MM, Mayfield M, Nilges MJ, Blackburn NJ, “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). [doi: 10.1021/bi901480g]

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). [doi: 10.1180/minmag.2009.073.4.519 ]

Nilges MJ, Pan Y & Mashkovtsev RI, “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). [doi: 10.1007/s00269-008-0258-y]

Backiel J, Juárez O, Zagorevski DV, Wang Z, Nilges MJ, Barquera B., “Covalent binding of flavins to RnfG and RnfD in the Rnf complex from Vibrio cholerae,” Biochemistry, 47:11273–11284 (2008). [doi: 10.1021/bi800920j]

Juárez O, Nilges MJ, Gillespie P, Cotton J, Barquera B., “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). [doi: 10.1074/jbc.M806913200]

Justice AK, De Gioia L, Nilges MJ, Rauchfuss TB, Wilson SR, Zampella G, “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). [doi: 10.1021/bi901480g]

Pan Y, Nilges MJ, and Mashkovtsev R, 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). [doi: 10.1007/s00269-008-0233-7]

Botis S, Pan Y, Nokhrin S & Nilges MJ, 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). [doi:10.3749/canmin.46.1.125]

Savelieff MG, Wilson TD, Elias Y, Nilges MJ, Garner DK, Lu Y., “Experimental evidence for a link among cupredoxins: Red, blue, and purple copper transformations in nitrous oxide reductase,” PNAS, 105: 7919-7924(2008). [doi: 10.1073/pnas.0711316105 ]

Justice AK, Nilges MJ, Rauchfuss TB, Wilson SR, De Gioia L, Zampella G, “Diiron Dithiolato Carbonyls Related to the HoxCO State of [FeFe]-Hydrogenase,” J. Am. Chem. Soc.; 130, 5293–5301, (2008). [doi: 10.1021/ja7113008]

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). [doi: 10.3749/canmin.46.1.125 ]

Nilges MJ, Pan Y,  and Mashkovtsev R, 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).  [doi: 10.1007/s00269-007-0203-5]

Pugh RA, Honda M, Leesley H, Thomas A, Lin Y, Nilges MJ, Cann IK, Spies M, 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]

Weiner BE, Huang H, Dattilo BM, Nilges MJ, Fanning E, Chazin WJ, 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]

Barquera B, Ramirez-Silva L, Morgan JE, Nilges MJ, ‘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). [doi: 10.1074/jbc.M605765200]

Nilges MJ, Matteson K, Belford RL, “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 pp261-281(2006). [doi: 10.1007/978-0-387-49367-1]

Nokhrin SM, Pan Y, and Nilges MJ, “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 JT, Nilges MJ, Sever MJ, Wilker JJ., “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). [doi: 10.1021/ic060685p]

Andruzzi L, Nakano M, Nilges MJ, Blackburn NJ., "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).[doi: 10.1021/ja0529539]

Nokhrin SM and Pan Y, Weil JA, Nilges MJ,   "Multifrequency EPR Study of Radiation-Induced Defects in Chlorapatite," Canadian Mineralogist,  43, 1581-1588(2005)  [Abstract]

Hwang HJ, Berry SM, Nilges MJ, Lu Y., "Axial Methionine Has Much Less Influence on Reduction Potentials in a CuA Center than in a Blue Copper Center," J. Am. Chem. Soc.;  127(20); 7274 - 7275(2005). [doi: 10.1021/ja0501114]

Zhao X, Nilges MJ, Lu Y., "Redox-Dependent Structural Changes in an Engineered Heme-Copper Center in Myoglobin: Insights into Chloride Binding to CuB in Heme Copper Oxidases," Biochemistry; 44(17);  6559 - 6564(2005). [doi: 10.1021/bi047465c]

Barquera B, Nilges MJ, Morgan JE, Ramirez-Silva L, Zhou W, Gennis RB, " 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) [doi: 10.1021/bi048689y]

Ralle M, Berry SM, Nilges MJ, Gieselman MD, van der Donk WA, Lu Y, Blackburn NJ., "The Selenocysteine-Substituted Blue Copper Center: Spectroscopic Investigations of Cys112SeCys Pseudomonas aeruginosa Azurin," J. Am. Chem. Soc.; 126(23),  7244-7256(2004); [doi: 10.1021/ja031821h]

Hurth KM, Nilges MJ, Carlson KE, Tamrazi A, Belford RL, Katzenellenbogen JA..; "Ligand-Induced Changes in Estrogen Receptor Conformation As Measured by Site-Directed Spin Labeling," Biochemistry ;  43(7),  1891-1907(2004);  [doi: 10.1021/bi035566p]

Rahimi-Moghaddam P, Upadrashta Y, Nilges MJ, and Weil JA, “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); [doi: 10.1007/BF03166683]

Barquera B, Morgan JE.,  Lukoyanov D, Scholes CP, Gennis RB, and Nilges, MJ, "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); [doi: 10.1021/ja0207201]

Electron Paramagnetic Resonance Lab
Medical Sciences Building
506 S. Mathews
Urbana, IL  61801

Dean Olson
NMR Lab / EPR Lab

(217) 244-0564
dolson [at] illinois [dot] edu
Mark Nilges
EPR Lab Manager
67 Medical Sciences Building

(217) 333-3969
mjnilges [at] illinois [dot] edu

Andre Sutrisno
Alternate Contact
55 Noyes Lab

(217) 333-4997
asutrisn [at] illinois [dot] edu
Mark's Hours:
Mon.: 9 am - 5 pm
Wed. and Fri.: 1 pm - 5 pm

Andre's Hours
Mon. - Fri.: 9 am - 5 pm

scs-webmaster [at] illinois [dot] edu