Recent Publications

Deb, A; Boron, III, T.T.; Itou, M.; Sakurai, Y.; Jankolovits, J.; Mallah, T.; Pecoraro, V.L.;  Penner-Hahn, J.E. “Understanding Spin Structure in Metallacrown Single-Molecule Magnets using Magnetic Compton Scattering” to be submitted to J. Phys. Chem.

Krewald, V.; Lassalle-Kaiser, B.; Boron III, T.T.; Kern, J.; Beckwith, M.A.; Yachandra, V.K. Pecoraro, V.L.; Yano, J.; Neese, F.; DeBeer, S. “The Protonation States of an Oxo-Bridged MnIV-Dimer Resolved by Experimental and Computational Mn K Pre-Edge X-Ray Absorption Spectroscopy” submitted to Inorg. Chem.

Glatzel, P.; Schroeder, H.; Pushkar, Y.; Boron, T.T., III; Mukerjee, S.; Christou, G.; Pecoraro, V.L.; Messinger, J.; Yachandra, V.K.; Bergmann, U.; Yano, J. “­­Electronic Structural Changes of Mn in the Oxygen-Evolving Complex of Photosystem II During the Catalytic Cycle”, Inorg. Chem., 2013, 52, 5642-5644.

Lassalle-Kaiser, B.; Boron III, T.T.; Krewald, V.; Kern, J.; Beckwith, M.A.; Schroeder, H.; Mori, R.A.; Weng, T.-C.; Sokaras, D.; Neese, F.; Bergmann, U.; Yachandra, V.K; DeBeer, S.; Pecoraro, V.L.; Yano, J. “Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged MnIV-Dimers Relevant to Redox-active Metalloproteins” Inorg. Chem. in press.

Jankolovits, J.; Kampf, J.W.; Pecoraro, V. L. “Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes­­Inorg. Chem.,2013, 52, 5063-5076.

Yu, F.; Pecoraro, V.L. “Use of the Mechanistic Probe 2-methyl-1-phenylpropan-2-yl hydroperoxide (MPPH) to Discriminate Between the Formation of MnIVMnIV(O.) and MnIVMnV=O species” Polyhedron, accepted (special issue honoring George Christou).

Łuczkowski, M.; Zeider, B.A.; Stachura, M.; Chakraborty, S.; Hemmingsen, L.; Huffman, D.L. Pecoraro, V.L. “Probing the Coordination Environment of the Human Copper Chaperone HAH1: Characterization of Hg(II) bridged Homodimeric Species in Solution” Chem.: Eur. J., 2013, 19, 9042-9049

Zastrow, M.; Pecoraro, V.L. “The Influence of Active Site Location on Catalytic Activity in de Novo Designed Zinc Metalloenzymes” J. Amer. Chem. Soc., 2013, 135, 5895-5903.\

Peacock, A.F.A.; Pecoraro, V.L. “Natural and Artificial Proteins Containing Cadmium”, Chapter 10 in Cadmium: From Toxicity to Essentiality, Metal Ions in Life Sciences, A. Sigel, H. Sigel, and R. K. O. Sigel (eds.), 2013, 11, 303–337. DOI: 10.1007/978-94-007-5179-8_10.

Zastrow, M.; Pecoraro, V.L. “Designing functional metalloproteins: from structural to catalytic metal sites” Coord. Chem. Rev. 2013, 257, 2565-2588.

Jankolovits, J.; Kampf, J.W.; Pecoraro, V.L. “Comparison of Structural Constraints on the Ln(III)[15-MC-5] Topology using Ni(II), Cu(II), or Zn(II) Ring Metals”, Polyhedron, 2013, 52, 491-499. DOI: 10.1016/j.poly.2012.08.046.

Lim, C.S.; Tegoni, M.; Kampf, J.W.; Pecoraro, V.L. “Clarifying the Mechanism of Cation Exchange in Ca(II)[15-MCCu(II)Ligand-5] Complexes” Inorg. Chem., 2012, 51, 11533–11540.

Tegoni, M.; Yu, F.; Berseloni, M.; Pecoraro, V.L. “Designing functional type 2 copper centers within alpha-helical coiled coils that have nitrite reductase activity” Proc. Nat. Acad. Sci. (USA), 2012, 109, 21234–21239.

Grant, J.T.; Jankolovits, J.; Pecoraro, V.L. “Enhanced Guest Affinity and Enantioselectivity through Variation of the Gd3+[15-Metallacrown-5] Side Chain” Inorg. Chem. 2012, 51, 8034–8041.

Sanna, D.; Pecoraro, V.L.; Micera, G.; Garribba, E.Application of DFT methods to the Study of Coordination Environment of VO2+ ion in V-proteins” J. Biol. Inorg. Chem. 2012, 17, 773-790.

Jankolovits, J.; Lim, C.S.; Mezei, G.; Kampf, J.W.; Pecoraro, V.L. “Influencing the Size and AnionSelectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal”  Inorg. Chem., 2012, 51, 4527-4538.

Chakraborty, S.; Iranzo, O.; Zuiderweg, E.R.P.; Pecoraro, V.L. “An Experimental and Theoretical Evaluation of Multi-site Cd(II) Exchange in Designed Three-Stranded Coiled Coils” J. Amer. Chem. Soc., 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” Chem. Eur. J, 2012, 18, 2040-2050.

Zastrow, M.L.; Peacock, A.F.A.; Stuckey, J.A.; Pecoraro, V.L. “Hydrolytic Catalysis and Structural Stabilization in a Designed Metalloprotein” Nature: Chemistry, 2012, 4, 118-123.

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 (22), pp 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, 7707-17.

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.

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.

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(41), 9660-9664.

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.

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(m-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.

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.

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.

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]

 

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