Recent Publications
As of May 1, 2017 (Google Scholar)
Sgarlata,C.; Giuffrida, A.; Trivedi, E.R.; Pecoraro, V.L., Arena, G. "Anion Encapsulation Drives the Formation of Dimeric GdIII [15-metallacrown-5] 3+ Complexes in Aqueous Solution", Inorg. Chem. 2017, 56, 4771-4774.
Cangelosi, V.; Ruckthong, L.; Pecoraro, V.L. "Lead (II) Binding in Natural and Artificial Proteins" In Metal Ions in Life Sciences Vol. 17. 2017. Sigel, A.; Sigel, H.; Siegel, R.K.O. eds.
Tebo, A.G.; Quaranta, A.; Herrero, C.; Pecoraro, V.L.; Aukauloo, A. "Intramolecular Photogeneration of a Tyrosine Radical in a Designed Protein" ChemPhotoChem. 2017, 1, 89-92.
Stachura, M.; Chakraborty, S.; Gottberg, A.; Ruckthong, L.; Pecoraro, V.L.; Hemmingsen, L. "Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site" J. Am. Chem. Soc. 2017, 139, 79.
Pecoraro, V.L.; Ruckthong, L.; Peacock, A.F.A.; Pascoe, C.E.; Hemmingsen, L. "D‐Cysteine Ligands Control Metal Geometries within de Novo Designed Three‐Stranded Coiled Coils" Chem. Eur. J. 2017. In press.
Ruckthong, L.; Stuckey, J.A.; Pecoraro, V.L. "Methods for Solving Highly Symmetric De Novo Designed Metalloproteins: Crystallographic Examination of a Novel Three-Stranded Coiled-Coil Structure Containing d-Amino Acids" Methods in Enzymology. 2016, 580, 135-148.
Boron, T.T. (III); Lutter, J.,C.; Daly, C.I.; Chow, C.Y.; Davis, A.H.; Nimthong-Roldán, A.; Zeller, M.; Kampf, J.W.; Zaleski, C.M.; Pecoraro, V.L. "The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX4M 12-Metallacrown-4 Complexes" Inorg. Chem. 2016, 55, 10597-10607
Chow, C.Y.; Guillot, R.; Rivière, E.; Kampf, J.W.; Mallah, T.; Pecoraro, V.L. "Synthesis and Magnetic Characterization of Fe (III)-Based 9-Metallacrown-3 Complexes Which Exhibit Magnetorefrigerant Properties" Ionrg. Chem.2016, 55, 10238-10247.
Ruckthong, L.; Zastrow, M.L.; Stuckey, J.A.; Pecoraro, V.L. "A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins" J. Am. Chem. Soc. 2016, 138, 11979.
Atzeri, C.; Marchiò, L.; Chow, C.Y.; Kampf, J.W.; Pecoraro, V.L.; Tegoni, M. “Design of 2D Porous Coordination Polymers Based on Metallacrown Units”, Chem: Eur. J. 2016, 22, 6482–6486.
Chow, C. Y.; Eliseeva, S. V.; Trivedi, E. R.; Nguyen, T.; Kampf, J.W.; Petoud, S.; Pecoraro, V.L. “Ga3+/Ln3+ Metallacrowns: A Promising Family of Highly Luminescent Lanthanide Complexes that Covers Visible and Near-Infrared Domains” J. Amer. Chem. Soc., 2016, 138, 5100-5109.
Plegaria, J.S.; Pecoraro, V.L. “De Novo Design of Metalloproteins and Metalloenzymes in a Three Helix Bundle,” Meth. Mol. Biol., 2016, 1414, 187-196.
Tebo, A.G.; Hemmingsen, L.; Pecoraro, V.L. “Variable primary coordination environments of Cd(II) Binding to Three Helix Bundles Provide a Pathway for Rapid Metal Exchange”Metallomics 2015, 7, 1555-1561.
Plegaria, J.S.; Herrero, C.; Quaranta, A.; Pecoraro, V.L. “Electron Transfer Activity of a de Novo Designed Copper Center in a Three-Helix Bundle Fold,” Biochim. Biophys. Acta 2015, 522-530.
Plegaria, J.S.; Duca, M.; Tard, C.; Deb, A.; Penner-Hahn, J.E.; Pecoraro, V.L. “De Novo Design of Copper Metallopeptides Inspired by Native Cupredoxins,” Inorg. Chem. 2015, 54, 9470-9482.
Mocny, C.S.; Pecoraro, V.L. “De Novo Protein Design as a Methodology for Synthetic Bioinorganic Chemistry” Accts. Chem. Resrch. 2015, 48, 2388-2396.
Chow, C.Y.; Campbell, V.E.; Guillot, R.; Kampf, J.W.; Wernsdorfer, W.; Mallah, T.; Pecoraro, V.L. “Assessing the Role of Super-Exchange Coupling in a Dinuclear Dysprosium(III) Single-Molecule Magnet” Chemical Sciences, 2015, 6, 4148-4159.
Ross, M.R; White, A.M.; Yu, F.; King, J.T.; Pecoraro, V.L.; Kubarych, K.J. “Histidine Orientation Modulates the Structure and Dynamics of a de Novo designed Metalloenzyme” J. Amer. Chem. Soc. 2015, 137, 10164-10176.
Plegaria, J. P.; Dzul, S.; Zuiderweg, E.R.P.; Stemmler, T.J.; Pecoraro, V.L. “Solution Structure and Stability of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals” Biochemistry 2015, 54, 2858−2873.
Jankolovits, J.; Kampf, J.W.; Pecoraro, V.L. “Assembly of Zinc Metallacrowns with an α-Amino Hydroxamic Acid Ligand”Chinese Chemistry Letters, 2015, 26, 444-448.
Tebo, A.; Pecoraro, V.L. “Designing Catalytic and Electron Centers in De Novo Designed Proetins,” Current Opinion in Chemical Biology, 2015, 25, 65-70.
Chow, C.Y.; Trivedi, E.R.; Pecoraro, V.L.; Zaleski, C.M. “Heterometallic Mixed 3d-4f Metallacrowns: Structural versatility, luminescence, and molecular magnetism” Comm. Inorg. Chem., 2014, 35, 214-253.
Plegaria, J.; Pecoraro, V.L. “Sculpting Metal Binding Environments in De Novo Designed Three-Helix Bundles”, Israel J. Chem., 2015, 55, 85-95.
Oyala, P. H.; Stich, T. A.; Stull, J. A.; Yu, F.; Pecoarao, V. L. "Pulse EPR Studies of 13C-methanol bound to the Mn4CaO5 cluster in the S2 state of PSII" Biochemistry. 2014, 53(50).
Jankolovits, J.; Kampf, J.W.; Pecoraro, V.L. “Solvent Dependent Assembly of Lanthanide Metallacrowns Using Building Blocks with Incompatible Symmetry Preferences" Inorg. Chem. 2014, 53, 7534-7546.
Cangelosi, V.; Deb. A.; Penner-Hahn, J.E.; Pecoraro, V.L. “A de novo designed metalloenzyme for the hydration of CO2” Angew. Chem. 2014, 53, 7900-7903.
Deb, A.; Boron, III, T.T.; Itou, M.; Sakurai, Y.; Mallah, T.; Pecoraro, V.L.; Penner-Hahn, J.E. “Understanding Spin Structure in Metallacrown Single-Molecule Magnets”J. Amer. Chem. Soc. 2014, 136, 4889-4892.
Zastrow, M. L.; Pecoraro, V.L. “Designing hydrolytic zinc metalloenzymes” Biochemistry 2014, 53, 957−978.
Azar, M.R.; Boron, III, T.T.; Lutter, J.C.; Daly, C.; Zegalia, K.A; Nimthong, R.; Ferrence, G.M.; Zeller, M.; Kampf, J.W.; Pecoraro, V.L.; Zaleski, C.M. “Controllable Formation of Heterotrimetallic Coordination Compounds - Systematically Incorporating Lanthanide and Alkali Metal Ions into the Manganese 12-Metallacrown-4 Framework” Inorg. Chem., 2014, 53, 1729−1742.
Trivedi, E.R.; Eliseeva, S.V.; Jankolovits, J.; Olmstead, M.; Petoud, S. Pecoraro, V.L. “Highly Emitting Near-Infrared Lanthanide “Encapsulated Sandwich” Metallacrown Complexes with Excitation Shifted Toward Lower Energy” J. Amer. Chem. Soc. 2014, 136, 1526−1534.
Cangelosi, V.; Pecoraro, V.L. “Binding, Transport and Storage ofLead” Binding, Transport and Storage of Metal Ions in Biological Cells, W. Maret & A. Wedd, eds; Royal Society of Chemistry: Cambridge, RSC Metallobiology Series No. 2, 2014, Chapter 28, 830-868
Yu, F.; Cangelosi, V.; Zastrow, M.L.; Tegoni, M.; Plegaria, J.; Tebo, A.; Mocny, C.; Ruckthorn, L.; Qayyum, H.; Pecoraro, V.L. “Protein design: towards functional metalloenzymes” Chem. Rev., 2014,114, 3495−3578.
Krewald, V.; Lassalle-Kaiser, B.; Boron III, T.T.; Pollock, C.J.; 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” Inorg. Chem., 2013, 52, 12904-12914.
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.; Delgado-Jaime, M.U.; Schroeder, H.; Mori, R.A.; Nordlund, D.; 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. 2013, 52, 12915-12922.
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] Complexes” Inorg. 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, 2013, 64, 99-105.
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]