The Role of a Dipeptide Outer-Coordination Sphere on H 2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

Reback, Matthew L.; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C.; Raugei, Simone; Roberts, John A.  S.; Shaw, Wendy J.

doi:10.1002/chem.201202849

The Role of a Dipeptide Outer-Coordination Sphere on H ₂ -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

Journal Article · Tue Dec 11 04:00:00 EST 2012 · Chemistry - A European Journal

DOI:https://doi.org/10.1002/chem.201202849· OSTI ID:1383902

Reback, Matthew L.; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C.; Raugei, Simone; Roberts, John A. S.; Shaw, Wendy J.

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1383902

Journal Information:: Chemistry - A European Journal, Journal Name: Chemistry - A European Journal Journal Issue: 6 Vol. 19; ISSN 0947-6539

Publisher:: ChemPubSoc Europe

Country of Publication:: United States

Language:: English

References (40)

The Depth of Chemical Time and the Power of Enzymes as Catalysts Wolfenden, Richard; Snider, Mark J. Accounts of Chemical Research, Vol. 34, Issue 12 https://doi.org/10.1021/ar000058i	journal	December 2001
[Ni(PPh2NAr2)2(NCMe)][BF4]2 as an electrocatalyst for H2 production: PPh2NAr2=1,5-(di(4-(thiophene-3-yl)phenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) Pool, Douglas H.; DuBois, Daniel L. Journal of Organometallic Chemistry, Vol. 694, Issue 17 https://doi.org/10.1016/j.jorganchem.2009.04.010	journal	August 2009
A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s^-1 for H₂ Production Helm, M. L.; Stewart, M. P.; Bullock, R. M. Science, Vol. 333, Issue 6044, p. 863-866 https://doi.org/10.1126/science.1205864	journal	August 2011
Enzyme Electrokinetics: Hydrogen Evolution and Oxidation by Allochromatium vinosum [NiFe]-Hydrogenase ^† Léger, Christophe; Jones, Anne K.; Roseboom, Winfried Biochemistry, Vol. 41, Issue 52 https://doi.org/10.1021/bi026586e	journal	December 2002
Rationally tuning the reduction potential of a single cupredoxin beyond the natural range Marshall, Nicholas M.; Garner, Dewain K.; Wilson, Tiffany D. Nature, Vol. 462, Issue 7269 https://doi.org/10.1038/nature08551	journal	November 2009
Titration of bases in acetonitrile Kolthoff, Izaak M.; Chantooni, Miran K.; Bhowmik, Sadhana. Analytical Chemistry, Vol. 39, Issue 13 https://doi.org/10.1021/ac50156a039	journal	November 1967
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model Bayly, Christopher I.; Cieplak, Piotr; Cornell, Wendy The Journal of Physical Chemistry, Vol. 97, Issue 40 https://doi.org/10.1021/j100142a004	journal	October 1993
The extended environment of mononuclear metal centers in protein structures Karlin, S.; Zhu, Z. -Y.; Karlin, K. D. Proceedings of the National Academy of Sciences, Vol. 94, Issue 26 https://doi.org/10.1073/pnas.94.26.14225	journal	December 1997
Potential-sweep voltammetry: General theory of chemical polarization Savéant, J. M.; Vianello, E. Electrochimica Acta, Vol. 12, Issue 6 https://doi.org/10.1016/0013-4686(67)85031-X	journal	June 1967
Evidence of the Participation of Remote Residues in the Catalytic Activity of Co-Type Nitrile Hydratase from Pseudomonas putida Brodkin, Heather R.; Novak, Walter R. P.; Milne, Amy C. Biochemistry, Vol. 50, Issue 22 https://doi.org/10.1021/bi101761e	journal	May 2011
Generalized-ensemble algorithms for molecular simulations of biopolymers Mitsutake, Ayori; Sugita, Yuji; Okamoto, Yuko Biopolymers, Vol. 60, Issue 2 https://doi.org/10.1002/1097-0282(2001)60:2<96::AID-BIP1007>3.0.CO;2-F	journal	January 2001
Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production Jain, Avijita; Lense, Sheri; Linehan, John C. Inorganic Chemistry, Vol. 50, Issue 9 https://doi.org/10.1021/ic1025872	journal	May 2011
Peptide Coupling Reagents, More than a Letter Soup El-Faham, Ayman; Albericio, Fernando Chemical Reviews, Vol. 111, Issue 11 https://doi.org/10.1021/cr100048w	journal	November 2011
Metals and Their Scaffolds To Promote Difficult Enzymatic Reactions Ragsdale, Stephen W. Chemical Reviews, Vol. 106, Issue 8 https://doi.org/10.1021/cr0503153	journal	August 2006
A novel FeS cluster in Fe-only hydrogenases Nicolet, Yvain; Lemon, Brian J.; Fontecilla-Camps, Juan C. Trends in Biochemical Sciences, Vol. 25, Issue 3, p. 138-143 https://doi.org/10.1016/S0968-0004(99)01536-4	journal	March 2000
Modified Replica Exchange Simulation Methods for Local Structure Refinement Cheng, Xiaolin; Cui, Guanglei; Hornak, Viktor The Journal of Physical Chemistry B, Vol. 109, Issue 16 https://doi.org/10.1021/jp045437y	journal	April 2005
Electrostatic decoupling of periodic images of plane‐wave‐expanded densities and derived atomic point charges Blöchl, P. E. The Journal of Chemical Physics, Vol. 103, Issue 17 https://doi.org/10.1063/1.470314	journal	November 1995
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures Nikitin, Alexei M.; Lyubartsev, Alexander P. Journal of Computational Chemistry, Vol. 28, Issue 12 https://doi.org/10.1002/jcc.20721	journal	January 2007
Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays Wilson, Aaron D.; Newell, Rachel H.; McNevin, Michael J. Journal of the American Chemical Society, Vol. 128, Issue 1 https://doi.org/10.1021/ja056442y	journal	January 2006
THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method Kumar, Shankar; Rosenberg, John M.; Bouzida, Djamal Journal of Computational Chemistry, Vol. 13, Issue 8 https://doi.org/10.1002/jcc.540130812	journal	October 1992
From Hydrogenases to Noble Metal-Free Catalytic Nanomaterials for H2 Production and Uptake Le Goff, A.; Artero, V.; Jousselme, B. Science, Vol. 326, Issue 5958 https://doi.org/10.1126/science.1179773	journal	December 2009
Stabilization of Nickel Complexes with Ni ⁰ ···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan Organometallics, Vol. 31, Issue 1 https://doi.org/10.1021/om200709z	journal	December 2011
Potential-sweep chronoamperometry: Kinetic currents for first-order chemical reaction parallel to electron-transfer process (catalytic currents) Saveant, J. M.; Vianello, E. Electrochimica Acta, Vol. 10, Issue 9 https://doi.org/10.1016/0013-4686(65)80003-2	journal	September 1965
Catalytic Contributions from Remote Regions of Enzyme Structure Lee, Jeeyeon; Goodey, Nina M. Chemical Reviews, Vol. 111, Issue 12 https://doi.org/10.1021/cr100042n	journal	December 2011
Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases Volbeda, Anne; Martin, Lydie; Cavazza, Christine JBIC Journal of Biological Inorganic Chemistry, Vol. 10, Issue 3 https://doi.org/10.1007/s00775-005-0632-x	journal	April 2005
Extended Metal Environments of Cytochrome c Oxidase Structures Karlin, Samuel; Zhu, Zhan-Yang; Karlin, Kenneth D. Biochemistry, Vol. 37, Issue 51 https://doi.org/10.1021/bi981390t	journal	December 1998
Design of functional metalloproteins Lu, Yi; Yeung, Natasha; Sieracki, Nathan Nature, Vol. 460, Issue 7257 https://doi.org/10.1038/nature08304	journal	August 2009
Theory of Stationary Electrode Polarography. Single Scan and Cyclic Methods Applied to Reversible, Irreversible, and Kinetic Systems. Nicholson, R. S.; Shain, Irving Analytical Chemistry, Vol. 36, Issue 4, p. 706-723 https://doi.org/10.1021/ac60210a007	journal	April 1964
X-ray Crystal Structure of the Fe-Only Hydrogenase (CpI) from Clostridium pasteurianum to 1.8 Angstrom Resolution Peters, J. W. Science, Vol. 282, Issue 5395 https://doi.org/10.1126/science.282.5395.1853	journal	December 1998
Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center Nicolet, Yvain; Piras, Claudine; Legrand, Pierre Structure, Vol. 7, Issue 1, p. 13-23 https://doi.org/10.1016/S0969-2126(99)80005-7	journal	January 1999
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules Cornell, Wendy D.; Cieplak, Piotr; Bayly, Christopher I. Journal of the American Chemical Society, Vol. 117, Issue 19 https://doi.org/10.1021/ja00124a002	journal	May 1995
Investigating the Role of the Outer-Coordination Sphere in [Ni(P ^Ph ₂ N ^Ph-R ₂ ) ₂ ] ²⁺ Hydrogenase Mimics Jain, Avijita; Reback, Matthew L.; Lindstrom, Mary Lou Inorganic Chemistry, Vol. 51, Issue 12 https://doi.org/10.1021/ic300149x	journal	June 2012
Iron-Only Hydrogenase Mimics. Thermodynamic Aspects of the Use of Electrochemistry to Evaluate Catalytic Efficiency for Hydrogen Generation Felton, Greg A. N.; Glass, Richard S.; Lichtenberger, Dennis L. Inorganic Chemistry, Vol. 45, Issue 23 https://doi.org/10.1021/ic060984e	journal	November 2006
Studies of a Series of [Ni(P ^R ₂ N ^Ph ₂ ) ₂ (CH ₃ CN)] ²⁺ Complexes as Electrocatalysts for H ₂ Production: Substituent Variation at the Phosphorus Atom of the P ₂ N ₂ Ligand Kilgore, Uriah J.; Stewart, Michael P.; Helm, Monte L. Inorganic Chemistry, Vol. 50, Issue 21 https://doi.org/10.1021/ic201461a	journal	November 2011
Exploring protein native states and large-scale conformational changes with a modified generalized born model Onufriev, Alexey; Bashford, Donald; Case, David A. Proteins: Structure, Function, and Bioinformatics, Vol. 55, Issue 2 https://doi.org/10.1002/prot.20033	journal	March 2004
Comparison of simple potential functions for simulating liquid water Jorgensen, William L.; Chandrasekhar, Jayaraman; Madura, Jeffry D. The Journal of Chemical Physics, Vol. 79, Issue 2 https://doi.org/10.1063/1.445869	journal	July 1983
Hydrogenases: Hydrogen-Activating Enzymes Frey, Michel ChemBioChem, Vol. 3, Issue 2-3 https://doi.org/10.1002/1439-7633(20020301)3:2/3<153::AID-CBIC153>3.0.CO;2-B	journal	March 2002
[Ni(P ^Ph ₂ N ^C6H4X ₂ ) ₂ ] ²⁺ Complexes as Electrocatalysts for H ₂ Production: Effect of Substituents, Acids, and Water on Catalytic Rates Kilgore, Uriah J.; Roberts, John A. S.; Pool, Douglas H. Journal of the American Chemical Society, Vol. 133, Issue 15 https://doi.org/10.1021/ja109755f	journal	April 2011
New coupling reagents in peptide chemistry Knorr, Reinhard; Trzeciak, Arnold; Bannwarth, Willi Tetrahedron Letters, Vol. 30, Issue 15 https://doi.org/10.1016/S0040-4039(00)99616-3	journal	January 1989
New protic salts of aprotic polar solvents Favier, Isabelle; Duñach, Elisabet Tetrahedron Letters, Vol. 45, Issue 17 https://doi.org/10.1016/j.tetlet.2004.03.025	journal	April 2004

Similar Records

The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

Journal Article · Sun Feb 03 23:00:00 EST 2013 · Chemistry - A European Journal, 19(6):1928-1941 · OSTI ID:1063719

Optimizing conditions for utilization of an H ₂ oxidation catalyst with outer coordination sphere functionalities

Journal Article · Thu Dec 31 23:00:00 EST 2015 · Dalton Transactions · OSTI ID:1333995

Optimizing conditions for utilization of an H₂ oxidation catalyst with outer coordination sphere functionalities

Journal Article · Thu Dec 31 23:00:00 EST 2015 · Dalton Transactions · OSTI ID:1388878

Related Subjects

bio-inspired
catalysis (heterogeneous)
catalysis (homogeneous)
charge transport
energy storage (including batteries and capacitors)
hydrogen and fuel cells
materials and chemistry by design
solar (fuels)
synthesis (novel materials)

The Role of a Dipeptide Outer-Coordination Sphere on H 2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

Citation Formats

References (40)

Similar Records

Related Subjects

The Role of a Dipeptide Outer-Coordination Sphere on H ₂ -Production Catalysts: Influence on Catalytic Rates and Electron Transfer