Publications by the Liptak Group
40. Johnson, K.L.; Graves, A.G.; Eckhert, K.; Liptak, M.D. "Second-sphere tuning of analogues for the ferric-hydroperoxoheme form of Mycobacterium tuberculosis MhuD" J. Inorg. Biochem. 2023, 246, 112300. DOI:10.1016/j.jinorgbio.2023.112300

39. Petrucci, A.N.; Cousins, M.E.; Liptak, M.D. "Beyond 'Mega': Origin of the 'Giga" Stokes shift for triazolopyridiniums" J. Phys. Chem. B 2022, 126, 6997-7005. DOI:10.1021/acs.jpcb.2c04397

38. Morris, J.A.; Lickey, B.S.; Liptak, M.D. “Insertion of cobalt into tetrapyrroles" Vitam. Horm. 2022, 119, 1-22. DOI:10.1016/bs.vh.2022.01.013

37. Schuelke-Sanchez, A.E.; Cornetta, A.R.; Kocian, T.A.J.; Conger, M.A.; Liptak, M.D. “Ruffling is essential for Staphylococcus aureus IsdG-catalyzed degradation of heme to staphylobilin" J. Inorg. Biochem. 2022, 230, 111775. DOI:10.1016/j.jinorgbio.2022.111775

36. Roy, M.D.; Trenerry, M.J.; Thakuri, B.; MacMillan, S.N.; Liptak, M.D.; Lancaster, K.M.; Berry, J.F. “Electronic structure of Ru₂⁶⁺ complexes with electron-rich anilinopyridinate ligands” Inorg. Chem. 2022, 61, 3443-3457. DOI:10.1021/acs.inorgchem.1c03346

35. Novas, B.T.; Morris, J.A.; Liptak, M.D.; Waterman, R. “Effect of photolysis on zirconium amino phenoxides for the hydrophosphination of alkenes: improving catalysis” Photochem 2022, 2, 77-87. DOI:10.3390/photochem2010007

34. Jenny, K.A.; Ruggles, E.L.; Liptak, M.D.; Masterson, D.S.; Hondal, R.J. "Ergothioneine in a peptide: substitution of histidine with 2-thiohistidine in bioactive peptides" J. Pept. Sci. 2021, 28, e3339. DOI:10.1002/psc.3339

33. Thakuri, B.; O'Rourke, B.D.; Graves, A.B.; Liptak, M.D. "A dynamic substrate is required for MhuD-catalyzed degradation of heme to mycoblilin" Biochemistry 2021, 60, 918-928. DOI:10.1021/acs.biochem.0c00892

32. Schuelke-Sanchez, A.E.; Stone, A.A.; Liptak, M.D. "CfbA promotes insertion of cobalt and nickel into ruffled tetrapyrrole in vitro" Dalton Trans. 2020, 49, 1065-1076. DOI:10.1039/c9dt03601f

31. Conger, M.A.; Cornetta, A.R.; Liptak, M.D. "Spectroscopic evidence for electronic control of heme hydroxylation by IsdG" Inorg. Chem. 2019, 58, 15455-15465. DOI:10.1021/acs.inorgchem.9b02530

30. Shao, B.; Stankewitz, N.; Morris, J.A.; Liptak, M.D.; Aprahamian, I. "White-light emission from a structurally simple hydrazone" Chem. Comm. 2019, 55, 9551-9554. DOI:10.1039/C9CC03912K

29. Wu, K.; Conger, M.A.; Waterman, R.; Liptak, M.; Geiger, W.E. "Electrochemical and structural characterization of a radical cation formed by one-electron oxidation of a cymantrene complex containing an N-heterocyclic carbene ligand" Polyhedron 2019, 157, 442-448. DOI:10.1016/j.poly.2018.10.039

28. Thakuri, B.; Graves, A.B.; Chao, A.; Johansen, S.L.; Goulding, C.W.' Liptak, M.D. "The affinity of MhuD for heme is consistent with a heme degrading function in vivo" Metallomics 2018, 10, 1560-1563. DOI:10.1039/C8MT00238J
Metallomics Recent HOT Articles Collection

27. Bange, C.A.; Conger, M.A.; Novas, B.T.; Young, E.R.; Liptak, M.D.; Waterman, R. "Light-driven, zirconium-catalyzed hydrophosphination with primary phosphines" ACS Catal. 2018, 8, 6230-6238. DOI:10.1021/acscatal.8b01002

26. Anathy, V.; Lahue, K.G.; Chapman, D.G.; Chia, S.B.; Casey, D.T.; Aboushousha, R.; van der Velden, J.L.J.; Elko, E.; Hoffman, S.M.; McMillan, D.H.; Jones, J.T.; Nolin, J.D.; Abdalla, S.; Schneider, R.; Seward, D.; Roberson, E.C.; Liptak, M.D.; Cousins, M.E.; Butnor, K.J.; Taatjes, D.J.; Budd, R.C.; Irvin, C.G.; Ho, Y-S.; Hakem, R.; Brown, K.K.; Matsui, R.; Bachschmid, M.M.; Gomez, J.L.; Kaminski, N.; van der Vliet, A.; Janssen-Heininger, Y.M.W. "Reducing protein oxidation reverses lung fibrosis" Nat. Med., 2018, 24, 1128-1135. DOI:10.1038/s41591-018-0090-y

25. Conger, M.A.; Pokhrel, D.; Liptak, M.D. "Tight binding of heme to Staphylococcus aureus IsdG and IsdI precludes design of a competetitive inhibitor" Metallomics 2017, 9, 556-563. DOI:10.1039/C7MT00035A
Metallomics 2017 Most Downloaded Articles Collection

24. Qian, H.; Cousins, M.E.; Horak, E.H.; Wakefield, A.; Liptak, M.D.; Aprahamian, I. "Suppression of Kasha's Rule (SOKR): A novel mechanism to explain aggregation induced emission" Nat. Chem. 2017, 9, 83-87. DOI:10.1038/nchem.2612

23. Graves, A.B.; Horak, E.H.; Liptak, M.D. "Dynamic ruffling distortion of the heme substrate in non-canonical heme oxygenase enzymes" Dalton Trans. 2016, 45, 10058-10067. DOI:10.1039/c6dt00702c
New Talent: Americas Collection

22. Graves, A.B.; Graves, M.T.; Liptak, M.D. "Measurement of heme ruffling changes in MhuD using UV/Vis spectroscopy" J. Phys. Chem. B 2016, 120, 3844-3853. DOI:10.1021/acs.jpcb.6b01497

21. Lockhart, C.L.; Conger, M.A.; Pittman, D.S.; Liptak, M.D. "Hydrogen bond donation to the heme distal ligand of Staphylococcus aureus IsdG tunes the electronic structure" J. Biol. Inorg. Chem. 2015, 20, 757-700. DOI:10.1007/s00775-015-1263-5

20. Graves, A.B.; Morse, R.P.; Chao, A.; Iniguez, A.; Goulding, C.W.; Liptak, M.D. "Crystallographic and spectroscopic insights into heme degradation by Mycobacterium tuberculosis MhuD" Inorg. Chem. 2014, 53, 5931-5940. DOI:10.1021/ic500033b

19. Owens, C.P.; Chim, N.; Graves, A.B.; Harmston, C.A.; Contreras, H.; Iniguez, A.; Liptak, M.D.; Goulding, C.W. "The Mycobacterium tuberculosis secreted protein, Rv0203, transfers heme to membrane proteins, Mycobacterial membrane protein Large (MmpL3) and MmpL11" J. Biol. Chem. 2013, 288, 21714-21728. DOI:10.1074/jbc.M113.453076

18. Su, X.; Liptak, M.D.; Aprahamian, I. "Water-soluble triazolopyridiniums as tunable blue light emitters" Chem. Commun. 2013, 49, 4160-4162. DOI:10.1039/C2CC34976K

Publications from Supervised Career
17. Josephs, T.M.; Liptak, M.D.; Hughes, G.; Lo, A.; Smith, R.M.; Wilbanks, S.M.; Bren, K.L.; Ledgerwodd, E.C. "Conformational change and human cytochrome c function: mutation of residue 41 modulates caspase activation and destabilizes Met-80 coordination" J. Biol. Inorg. Chem. 2013, 18, 289-297. DOI:10.1007/s00775-012-0973-1

16. Liptak, M.D.; Fagerlund, R.D.; Ledgerwood, E.C.; Wilbanks, S.M.; Bren, K.L. "The proapoptotic G41S mutation to human cytochrome c alters the heme electronic structure and increases the electron self-exchange rate" J. Am. Chem. Soc. 2011, 133, 1153-1155. DOI:10.1021/ja106328k

15. Liptak, M.D.; Wen, X.; Bren, K.L. "NMR and DFT investigation of heme ruffling: functional implications for cytochrome c" J. Am. Chem. Soc. 2010, 132, 9753-9763. DOI:10.1021/ja102098p

14. Liptak, M.D.; Fleischhacker, A.S.; Matthews, R.G.; Telser, J.; Brunold, T.C. "Spectroscopic and computaional characterization of the base-off forms of cob(II)alamin" J. Phys. Chem. B 2009, 113, 5245-5254. DOI:10.1021/jp810136d

13. Liptak, M.D.; Van Heuvelen, K.M.; Brunold, T.C. "Computational studies of bioorganometallic enzymes and cofactors" in Volume 6 of Metal Ions in Life Sciences (Sigel, A.; Sigel, H.; Sigel, R.K.O. Eds.), Royal Society of Chemistry, Cambridge, U.K., 2009, 417-460.

12. Brunold, T.C.; Conrad, K.S.; Liptak, M.D.; Park, K. "Spectroscopically-validated density functional theory studies of the B₁₂ cofactors and their interactions with enzyme active sites" Coord. Chem. Rev. 2008, 253, 779-794. DOI:10.1016/j.ccr.2008.09.013

11. Liptak, M.D.; Datta, S.; Matthews, R.G.; Brunold, T.C. "Spectroscopic study of the cobalamin-dependent methionine synthase in the activation conformation: effects of the Y1139 residue and S-adenosylmethionine on the B₁₂ cofactor" J. Am. Chem. Soc. 2008, 130, 16374-16381. DOI:10.1021/ja8038129

10. Liptak, M.D.; Fleischhacker, A.S.; Matthews, R.G.; Brunold, T.C. "Probing the role of the histidine 759 ligand in cobalamin-dependent methionine synthase" Biochemistry 2007, 46, 8024-8035. DOI:10.1021/bi700341y

9. Liptak, M.D.; Brunold, T.C. "Spectroscopic and computational studies of Co¹⁺cobalamin: spectral and electronic properties of the "superreduced" B₁₂ cofactor" J. Am. Chem. Soc. 2006, 128, 9144-9156. DOI:10.1021/ja061433q

8. Pickard, F.C.; Griffith, D.R.; Ferrara, S.J.; Liptak, M.D.; Kirschner, K.N.; Shields, G.C. "CCSD(T), W1, and other model chemistry predictions for gas-phase deprotonation reactions" Int. J. Quantum Chem. 2006, 106, 3122-3128. DOI:10.1002/qua.21105

7. Liptak, M.D.; Shields, G.C. "Comparison of density functional theory predictions of gas-phase deprotonation data" Int. J. Quantum Chem. 2005, 105, 580-587. DOI:10.1002/qua.20686

6. Pickard, F.C.; Pokon, E.K.; Liptak, M.D.; Shields, G.C. "Comparison of CBS-QB3, CBS-APNO, G2, and G3 thermochemical predictions with experiment for formation of ionic clusters of hydronium and hydroxide ions complexed with water" J. Chem. Phys. 2005, 122, 024302. DOI:10.1063/1.1811611

5. Liptak, M.D.; Gross, K.C.; Seybold, P.G.; Feldgus, S.; Shields, G.C. "Absolute pK_a determinations for substituted phenols" J. Am. Chem. Soc. 2002, 124, 6421-6427. DOI:10.1021/ja012474j

4. Pokon, E.K.; Liptak, M.D.; Feldgus, S.; Shields, G.C. "Comparison of CBS-QB3, CBS-APNO, and G3 predictions of gas phase deprotonation data" J. Phys. Chem. A 2001, 105, 10483-10487. DOI:10.1021/jp012920p

3. Liptak, M.D.; Shields, G.C. "Experimentation with different thermodynamic cycles used for pK_a calculations on carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods" Int. J. Quantum Chem. 2001, 85, 727-741. DOI:10.1002/qua.1703

2. Liptak, M.D.; Shields, G.C. "Accurate pK_a calcuations for carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods" J. Am. Chem. Soc. 2001, 123, 7314-7319. DOI:10.1021/ja010534f

1. Toth, A.M.; Liptak, M.D.; Phillips, D.L.; Shields, G.C. "Accurate relative pK_a calculations for carboxylic acids using complete basis set and Gaussian-n models combined with continuum solvation methods" J. Chem. Phys. 2001, 114, 4595-4606. DOI:10.1063/1.1337862