Recent Publications
Metallopeptide Project:
Chakraborty, S.; Zuiderweg, E.R.P.; Iranzo, O.; Pecoraro, V.L. “An Experimental and Theoretical Evaluation of Multi-site Cd(II) Exchange in Designed Three-Stranded Coiled Coils” 2012, 134, 6191-6203.
Zampella, G.; Neupane, K.P.; DeGioia, L.; Pecoraro, V.L. “The Importance of Stereochemically Active Lone Pairs For Influencing Pb(II) and As(III) Protein Binding” submitted to Chem. Eur. J. 2012, 18, 2040-2050
Neupane, K.; Pecoraro, V.L. “Pb-207 NMR Spectroscopy Reveals that Pb(II) Coordinates with Glutathione (GSH) and Tris Cysteine Zinc Finger Proteins in a PbS3 Coordination” J. Inorg Biochem. 2011, 105, 1030-1034.
Zastrow, M.L.; Peacock, A.F.A.; Stuckey, J.A.; Pecoraro, V.L. “Hydrolytic Catalysis and Structural Stabilization in a Designed Metalloprotein.” Nature Chemistry. 2011, 4, 118-123.
Chakraborty,S.; Kravitz, J.Y.; Thulstrup, P.W.; Hemmingsen, L.; DeGrado,W.F.; Pecoraro, V.L. “Realization of a Designed Three-Helix Bundle Capable of Binding Heavy Metals in a Tris(Cysteine) Environment” Angew. Chem. Int. Ed. 2011, 50, 2049 –2053 (inside cover).
Iranzo, O.; Chakraborty, S.; Hemmingsen, L.; Pecoraro, V.L. “Controlling and Fine Tuning the Physical Properties of Two Identical Metal Coordination Sites in De Novo Designed Three Stranded Coiled Coil Peptides” J. Amer. Chem Soc. 2011, 133 (2), pp 239–251.
Chakraborty, S.; Touw, D.S.; Peacock, A. F. A. ; Stuckey, J.; Pecoraro, V. L. “Structural Comparisons of Apo- and Metallated Three Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides” J. Amer. Chem. Soc. 2010, 132 (38), 13240–13250.
Neupane, K.; Pecoraro, V.L. “Probing a Homoleptic PbS3 Coordination Environment in a Designed Peptide Using Pb-207 NMR: Implications for Understanding the Molecular Basis of Lead Toxicity,” Angew. Chem. 2010, 49, 8177–8180.
Pecoraro, V.L.; Peacock, A.F.A.; Iranzo, O.; Luczkowski, M. “Understanding the Biological Chemistry of Hg(II) Using a De Novo Design Strategy,” ACS Symposium Series, E. Long and M.J. Baldwin, Eds, 2009, 183-197.
Iranzo, O.; Jakusch, T.; Lee, K-H; Thulstrup, P.W.; Hemmingsen, L.; Pecoraro, V.L. “The Correlation of 113Cd NMR and 111mCd PAC Spectroscopies Provides a Powerful Approach for Characterizing the Structure of Cd(II) Substituted Zn(II) Proteins” Chem: Eur. J. 2009, 15, 3761-3772.
Peacock, A.F.A.; Iranzo, O.; Pecoraro, V.L. “Harnessing natures ability to control metal ion coordination geometries using de novo designed peptides” Dalton Transactions, 2009, 2271-2280. [Cover]
Peacock, A.F.A.; Stuckey; J.A.; Pecoraro, V.L. “Chirally Switching Metal Coordination Environments in Designed Peptides,” Angew. Chem. 2009, 48, 7371-7374.[inside cover]
Metallacrown Project:
Grant, J. T.; Jankolovitz. J.; Pecoraro, V.L. “Enhanced Guest Affinity and Enantioselectivity through Variation of the Gd3+[15-Metallacrown-5] Side Chain” Inor. Chem.. 2012, online.
Jankolovits, J.; Andolina, C.M.; Kampf, J.W.; Raymond, K.N.; Pecoraro, V.L. “Assembly of NIR Luminescent Lanthanide Host(Host-Guest) Complexes Using a Lanthanide-Metallacrown Sandwich Motif” Angew. Chem. 2011, 50, 9660-9664.
Zaleski, C.; S. Tricard; E. C. Depperman; W. Wernsdorfer; T. Mallah; M. L. Kirk; and V. L. Pecoraro, “Single-molecule magnet behavior of a pentanuclear Mn-based metallacrown complex: solid state and solution magnetic studies” Inorg. Chem. 2011, 50, 11348-11352.
Zaleski, C.; Lim, C.S.; van Noord, A.C.; Kampf, J.W.; Pecoraro, V.L. “The Effects of Central Lathanide Ion Radius on the 15-MCCu(II)N(pheHA)-5 Structure” Inorg. Chem. 2011, 50, 7707-7717.
Lim, C.S.; Jankolovits, J.; Zhao, P.; Kampf, J.W.; Pecoraro, V.L. “Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Derivatives,” Inorg. Chem. 2011, 50, 4832-4841.
Boron, III, T. T.; Kampf, J.W.; Pecoraro, V.L. “A Mixed 3d-4f 14-Metallacrown-5 Complex that Displays Single-Molecule Magnetic Behavior through Geometric Control of Magnetoanisotropy” Inorg. Chem. 2010, 49 (20), 9104–9106.
Tegoni, M.; Furlotti, M.; Tropiano, M.; Lim, C.S.; Pecoraro, V.L. ‘Thermodynamics of core metal replacement and self assembly of Ca2+ 15-metallacrown-5” Inorg. Chem. 2010, 49, 5190-5201.
Jankolovits, J.; Lim, C.-S.; Kampf, J.W.; Pecoraro, V.L. “Disruption of the La(III)[15-Metallacrown-5] Cavity through Bithiophene Dicarboxylate Inclusion” Z. Naturforschung. 2010, 65b, 263-272.
Jankolovits, J.; Kampf, J.W.; Pecoraro, V.L. “Voltammetric Characterization of Redox-Inactive Guest Binding to 15-Metallacrown-5 Hosts Based on Competition with a Redox Probe” Chem.: Eur. J. 2010, 16, 6786-6796. [cover article]
Lim, C.S.; Jankolovits, J.; Kampf, J.W.; Pecoraro, V.L. “Advances in Mesostructured Systems: Construction of Chiral Nano Channels by Metallacrown Self Assembly” Chem: Asian J. 2010, 5, 46-49. [cover article]
Ellis, P.D.; Lipton, A.S.; Sears, J.A.; Yang, P.; Dupuis, M.; Boron, III, T. T.; Pecoraro, V. L.; Stich, T.; Britt, R. D. “The 55Mn Solid State NMR Spectroscopy of bis(-oxo)dimangan-ese(IV) [Mn2O2(salpn)2]. An Antiferromagnetically Coupled Mn4+ Dimer at Cryogenic Temperatures” J. Amer. Chem. Soc. 2010, 132 (47), pp 16727–16729.
Gätjens, J.; Kampf, J.W.; Thuéry, P.; Pecoraro, V.L “Corroborative Cobalt and Zinc Models of α-amino-β-carboxymuconic-ε-semialdehyde decarboxylase (ACMSD),” Dalton Transactions, 2009, 51-62.
Gätjens, J.; Kampf, J.W.; Pecoraro, V.L “Preparation of a new 16-MC-4 Structure Type That Captures Mn(II) in the Central Cavity” Inorg. Chim. Acta, 2009, 362, 878-886 [special issue in honor of Bernhard Lippert]. DOI:10.1016/j.ica.2008.02.006
Lim, C.S.; Kampf, J.W.; Pecoraro, V.L. “Establishing the binding affinity of organic carboxylates to 15-metallacrown-5 Complexes,” Inorg. Chem. 2009, 48, 5224-5233.
Micera, G.; Pecoraro, V.L.; Garribba, E. “Assessing the Dependence of 51V Az Values on the Aromatic Ring Orientation of VIVO2+ Pyridine Complexes,” Inorg. Chem. 2009, 48, 5790-5796.
Tabares, L.; Gätjens, J.; Hureau, C.; Burrell, M.R.; Bowater, L.; Pecoraro, V.L.; Bornemann, S.; Un, S. “The pH-dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance” J. Phys. Chem. 2009, 113, 9016-9025.