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The Integrated Spectroscopy Resource

WHW


 

William H. Woodruff

EMail - woody@lanl.gov

Phone - (505)665-2557

Fax - (505)667-0440

Mailing Address

Los Alamos National Laboratory
P.O. Box 1663
Mail Stop: J582

Los Alamos, NM 87545

 

Vanderbilt University B.A. 1962
Purdue University M.S. 1969
Purdue University Ph.D. 1972

Research Interests

Dynamics of inorganic and biological systems
Biological and photochemical energy transduction
Raman and infrared hyperspectral imaging in biology
Cellular and molecular basis of biological scaling relationships
Advanced laser techniques; vibrational and time-resolved spectroscopies

Selected Publications

"Spectroscopy and Structure of Quadruply Bonded Complexes Under Extreme Pressure," D. E. Morris, R. B. Dyer, C. D. Tait, J. R. Schoonover, M. D. Hopkins, A. P. Sattelberger, and W. H. Woodruff, Inorg. Chem., 29, 3447 (1990).

"Theoretical Analysis of Resonance Raman Spectra from the Blue Copper Protein Azurin," M. Belhadj, J. M. Jean, R. A. Friesner, J. R. Schoonover, and W. H. Woodruff, J. Phys. Chem., 94, 2160 (1990).

"Direct Detection of a Dioxygen Adduct of Cytochrome a3 in the Mixed Valence Cytochrome Oxidase/Dioxygen Reaction," C. Varotsis, W. H. Woodruff, and G. T. Babcock, J. Biol. Chem., 265, 11131 (1990).

"Time-Resolved Resonance Raman Studies of the ??* Excited State of Re2Cl82- and Re2Br82-," J. R. Schoonover, R. F. Dallinger, P. M. Killough, A. P. Sattelberger, and W. H. Woodruff, Inorg. Chem., 30, 1093 (1991).

"The Nature and Functional Implications of the Cytochrome a3 Intermediate After Photodissociation of CO-Cytochrome Oxidase," W. H. Woodruff, Ó. Einarsdóttir, R. B. Dyer, K. A. Bagley, G. Palmer, S. J. Atherton, R. A. Goldbeck, T. D. Dawes, and D. S. Kliger, Proc. Nat. Acad. Sci. U. S. A., 88, 2588 (1991).

"Time-Resolved Magnetic Circular Dichroism Spectroscopy of Photolyzed Carbonmonoxy Cytochrome c Oxidase (Cytochrome aa3)," R. A. Goldbeck, T. D. Dawes, Ó. Einarsdóttir, W. H. Woodruff, and D. S. Kliger, Biophys. J., 60, 125 (1991).

"Ultrafast Photoinduced Ligand Transfer in CO-Cytochrome c Oxidase. Observation by Picosecond Infrared Spectroscopy," R. B. Dyer, K. A. Peterson, P. O. Stoutland, and W. H. Woodruff, J. Am. Chem. Soc., 113, 6276 (1991).

"Ultrafast and Not-So-Fast Dynamics of Cytochrome Oxidase: The Ligand Shuttle and its Possible Functional Significance," W. H. Woodruff, R. B. Dyer, Ó. Einarsdóttir, K. A. Peterson, P. O. Stoutland, K. A. Bagley, G. Palmer, J. R. Schoonover, D. S. Kliger, R. A. Goldbeck, T. D. Dawes, J.-L. Martin, J.-C. Lambry, S. J. Atherton, and S. M. Hubig, SPIE Proc., 1432, 205 (1991).

"Time-Resolved Infrared Studies of the Dynamics of Ligand Binding to Cytochrome c Oxidase," R. B. Dyer, K. A. Peterson, P. O. Stoutland, and W. H. Woodruff, SPIE Proc., 1432, 198 (1991).

"Pulsed Photothermal Spectroscopy Applied to Lanthanide and Actinide Speciation," J. M. Berg, C. D. Tait, D. E. Morris, and W. H. Woodruff, SPIE Proc., 1435, 331 (1991).

"Actinide Speciation by Photothermal Spectroscopies: Instrumentation Development," J. M. Berg, D. E. Morris, D. C. Clark, C. D. Tait, and W. H. Woodruff, Mat. Res. Soc. Symp. Proc., 212, 531 (1991).

"Vibrational and Electronic Spectra of [Pt2(SO4)4]2- Complexes," R. A. Newman, D. S. Martin, R. F. Dallinger, W. H. Woodruff, A. E. Stiegman, C.-M. Che, W. P. Schaefer, V. M. Miskowski, and H. B. Gray, Inorg. Chem., 30, 4647 (1991).

"Femtosecond Dynamics of Reduced Cytochrome Oxidase and its CO Derivative," P. O. Stoutland, J.-C. Lambry, J.-L. Martin, and W. H. Woodruff, J. Phys. Chem., 95, 6406 (1991).

"Picosecond Infrared Study of Ultrafast Electron Transfer and Vibrational Energy Relaxation in a Mixed Valent Ruthenium Dimer," S. K. Doorn, P. O. Stoutland, R. B. Dyer, and W. H. Woodruff, J. Am. Chem. Soc., 114, 3133 (1992).

"Resonance Raman Studies of Rieske-Type Proteins, D. Kuila, J. R. Schoonover, R. B. Dyer, C. J. Batie, D. P. Ballou, J. A. Fee, and W. H. Woodruff, Biochim. Biophys. Acta, 1140, 175 (1992).

"Time-Resolved Infrared Spectroscopy of Rh2(1,3-diisocyanopropane)4(BPh4)2", S. K. Doorn, K. C. Gordon, R. B. Dyer, and W. H. Woodruff, Inorg. Chem., 31, 2284 (1992).

"Ultrafast Infrared Spectroscopy", P. O. Stoutland, R. B. Dyer, and W. H. Woodruff, Science, 257, 1913 (1992).

"Novel Reaction of Cyanide with Cytochrome ba3 from Thermus thermophilus: Spectroscopic Characterization of the Fe(II)a3•CN::CuB(II)•CN Complex Indicates Four N Atoms are Coordinated to CuB", K. K. Surerus, W. A. Oertling, C. Fan, R. J. Gurbiel, O. Einarsdottir, Antholine, W. E.; Dyer, R. B.; Hoffman, B. M.; Woodruff, W. H.; Fee, J. A. Proc. Natl. Acad. Sci. U. S. A., 89, 3195 (1992).

"Far-Infrared Spectroscopy of Quadruply Bonded M2X4L4 Complexes", M. D. Hopkins, V. M. Miskowski, P. M. Killough, A. P. Sattelberger, W. H. Woodruff, and H. B. Gray Inorg. Chem., 31, 5368 (1992).

"Spectroscopy, Dynamics, and Function of Cytochrome Oxidase", W. H. Woodruff, R. B. Dyer, and Ó. Einarsdóttir in "Biomolecular Spectroscopy Part B" (Advances in Spectroscopy, 20), R. J. H. Clark and R. E. Hester, Eds., London, Wiley, 1993, p. 189.

"Coordination Dynamics of Heme-Copper Oxidases. The Ligand Shuttle and the Control and Coupling of Electron Transfer and Proton Translocation", W. H. Woodruff, J. Bioenergetics and Biomembranes, 25, 177 (1993).

"Ultrafast Electron Transfer and Coupled Vibrational Dynamics in Cyanide Bridged Mixed-Valence Transition-Metal Dimers", S. K. Doorn, R. B. Dyer, P. O. Stoutland, and W. H. Woodruff, J. Am. Chem. Soc., 115, 6398 (1993).

"Application of Time-Resolved Infrared Spectroscopy to Intramolecular Energy Transfer in [(phen)(CO)3ReI(NC)RuII(CN)(BPY)2]+", J. R. Schoonover, K. C. Gordon, K. A. Peterson, R. Argazzi, W. H. Woodruff, C. A. Bignozzi, R. B. Dyer, and T. J. Meyer, J. Am. Chem. Soc., 115, 6398 (1993).

"Photodissociation and Recombination of Carbonmonoxy Cytochrome Oxidase: Dynamics from Picoseconds to Kiloseconds," ´O. Einarsdóttir, P. M. Killough, J. J. López-Garriga, S. J. Atherton, S. M. Hubig, G. Palmer, and W. H. Woodruff, Biochemistry, 32, 11953 (1993).

"The Gateway to the Active Site of Heme-Copper Oxidases," D. D. Lemon, M. W. Calhoun, R. B. Gennis, and W. H. Woodruff, Biochemistry, 32, 12013 (1993).

"Picosecond Infrared Study of the Photodynamics of Carbonmonoxy Cytochrome c Oxidase" R. B. Dyer, K. A. Peterson, P. O. Stoutland, and W. H. Woodruff, Biochemistry 33, 500 (1994).

"Spectroscopic Characterization of Cytochrome ba3, a Terminal Oxidase from Thermus thermophilus. Comparison of the a3/CuB Site to that of Bovine Cytochrome aa3" W. A. Oertling, K. K. Surerus, Ó. Einarsdóttir, J. A. Fee, R. B. Dyer, and W. H. Woodruff, Biochemistry, 33, 3128 (1994).

"Infrared Studies on the Interaction of Carbon Monoxide with Nickel in Hydrogenase from Chromatium vinosum," K. A. Bagley, C. J. Van Garderen, S. P. J. Albracht, and W. H. Woodruff, Biochemistry, 33, 9229 (1994).

"Metal-Metal Bonding in Biology: EXAFS Evidence for a 2.5 Å Copper-Copper Bond in the CuA Center of Cytochrome Oxidase" N. J. Blackburn, M. E. Barr, W. H. Woodruff, J. van der Oost, and S. de Vries, Biochemistry, 33, 10401 (1994).

"An Infrared-Detectable Group Senses Changes in Charge Density on the Nickel Center in Hydrogenase from Chromatium vinosum," K. A. Bagley, E. C. Duin, W. Rosenboom, S. P. J. Albracht, and W. H. Woodruff, Biochemistry, 34, 5527 (1995).

"Thermal Decomposition Reactions of Gaseous Dioxygen Difluoride and Dioxygen Fluoride at Ambient Temperature," K.D. Abney, P.G. Eller, M.P. Eastman, C.F. Pace, S.A. Kinkead, R.J. Kissane, W.H. Woodruff, J. Fluorine Chem., 73 , 137 (1995).

"Fast events in protein folding initiated by laser-induced temperature jump and probed by time-resolved infrared spectroscopy," Williams, Skip; Causgrove, Timothy P.; Gilmanshin, Rudolf; Dyer, R. Brian; Woodruff, William H.; Callender, Robert H., Spectrosc. Biol. Mol., Eur. Conf., 6th (1995), 105-6. Editor(s): Merlin, Jean Claude; Turrell, Sylvia; Huvenne, Jean Pierre. Publisher: Kluwer, Dordrecht, Neth.

"Fast Events in Protein Folding: Helix Melting and Formation in a Small Peptide," Williams, Skip; Causgrove, Timothy P.; Gilmanshin, Rudolf; Fang, Karen S.; Callender, Robert H.; Woodruff, William H.; Dyer, R. Brian, Biochemistry, 35, 691-7 (1996),.

"Trans Effects in Nitric Oxide Binding to Myoglobin Cavity Mutant H93G," Decatur, Sean M.; Franzen, Stefan; DePillis, Gia D.; Dyer, R. Brian; Woodruff, William H.; Boxer, Steven G., Biochemistry, 35, 4939-44 (1996).

"Far-Red Resonance Raman Study of Copper A in Subunit II of Cytochrome c Oxidase," Wallace-Williams, Stacie E.; James, Chris A.; de Vries, Simon; Saraste, Matti; Lappalainen, Pekka; van der Oost, John; Fabian, Marian; Palmer, Graham; Woodruff, William H., J. Am. Chem. Soc., 118, 3986-7 (1996).

"Flow-flash kinetics of O2 binding to cytochrome c oxidase at elevated [O2]: observations using high-pressure stopped-flow for gaseous reactants," Bailey, James A.; James, Chris A.; Woodruff, William H., Biochem. Biophys. Res. Commun., 220, 1055-60 (1996).

"Photochemistry of deca(acetonitrile) dirhodium(II) cation: evidence for kilosecond-lived photoinduced charge separation," James, Chris A.; Morris, David E.; Doorn, Stephen K.; Arrington, C. Anthony Jr.; Dunbar, Kim R.; Finnis, Gary M.; Pence, Laura E.; Woodruff, William H., Inorg. Chim. Acta, 242, 91-6 (1996).

"Solution Studies of Ru2(O2CR)4n+ Complexes (n = 0, 1; O2CR = Octanoate, Crotonate, Dimethylacrylate, Benzoate, p-Toluate) and Solid-State Structures of Ru2(O2C-p-tolyl)4(THF)2, [Ru2(O2C-p-tolyl)4(THF)2]+[BF4]-, and Ru2(O2C-p-tolyl)4(CH3CN)2: Investigations of the Axial Ligation of the Ru2 Core." Chisholm, Malcolm H.; Christou, George; Folting, Kirsten; Huffman, John C.; James, Chris A.; Samuels, John A.; Wesemann, Jodi L.; Woodruff, William H., Inorg. Chem., 35, 3643-3658 (1996).

"Resonance Raman Spectra of [M6X8Y6]2- Cluster Complexes (M = Mo, W; X, Y = Cl, Br, I)," Schoonover, Jon R.; Zietlow, Thomas C.; Clark, David L.; Heppert, Joseph A.; Chisholm, Malcolm H.; Gray, Harry B.; Sattelberger, Alfred P.; Woodruff, William H., Inorg. Chem., 35, 6606-6613 (1996).

"Fast events in protein folding: relaxation dynamics of secondary and tertiary structure in native apomyoglobin," Gilmanshin, Rudolf; Williams, Skip; Callender, Robert H.; Woodruff, William H.; Dyer, R. Brian, Proc. Nat. Acad. Sci. U. S. A., 94, 3709-3713 (1997).

“Thiolate adducts of cavity mutant myoglobin H93G as models for cytochrome p450.” Roach, Mark P.; Franzen, Stefan; Pang, Phillip S. H.; Boxer, Steven G.; Woodruff, William H.; Dawson, John H J. Inorg. Biochem., 67, 134 (1997).

“Bound water in the proton translocation mechanism of the heme-copper oxidases.” Riistama, Sirpa; Hummer, Gerhard; Puustinen, Anne; Dyer, R. Brian; Woodruff, William H.; Wikström, Marten. FEBS Lett., 414, 275 (1997).

"Fourier transform infrared evidence for connectivity between CuB and glutamic acid 286 in cytochrome bo3 from Escherichia coli.", Puustinen, Anne; Bailey, James A.; Dyer, R. Brian; Mecklenburg, Sandra L.; Wikström, Marten; Woodruff, William H., Biochemistry, 36, 13195-13200 (1997).

"Fast events in protein folding: Relaxation dynamics and structure of the I form of apomyoglobin.", Gilmanshin, Rudolf; Williams, Skip; Callender, Robert H.; Woodruff, William H.; Dyer, R. Brian. Biochemistry, 36, 15006-15012 (1997).

"Cyanide binding and active site structure in heme-copper oxidases: normal coordinate analysis of iron-cyanide vibrations of a32+CN- complexes of cytochromes ba3 and aa3.", Kim, Younkyoo; Babcock, Gerald T.; Surerus, Kristene K.; Fee, James A.; Dyer, R. Brian; Woodruff, William H.; Oertling, W. Anthony. Biospectroscopy, 4, 1-15 (1998).

"Spectroscopic Comparisons of MoW(porphyrin)2 Heterodimers with Homologous Mo2 and W2 Quadruple Bonds: A Dynamic NMR and Resonance Raman Study." Collman, James P.; Harford, S. T.; Franzen, Stefan; Eberspacher, T. A.; Shoemaker, Richard K.; Woodruff, William H. J. Am. Chem. Soc. (1998), 120(7), 1456-1465.

"Interpretation of the Time-Resolved Resonance Raman Spectrum of [Ru(Phen)3]2+*." Schoonover, Jon R.; Omberg, Kristin M.; Moss, John A.; Bernhard, Stefan; Malueg, Vicki J.; Woodruff, William H.; Meyer, Thomas J. Inorg. Chem., 37, 2585-2587 (1998).

"The Unusual Reactivities of Amphitrite ornata Dehaloperoxidase and Notomastus lobatus Chloroperoxidase Do Not Arise from a Histidine Imidazolate Proximal Heme Iron Ligand." Franzen, Stefan; Roach, Mark P.; Chen, Yung-Pin; Dyer, R. Brian; Woodruff, William H.; Dawson, John H. J. Am. Chem. Soc., 120, 4658-4661 (1998).

"Fast Events in Protein Folding: Time Evolution of the Primary Processes", Gilmanshin, Rudolph, Callender, Robert, Dyer, R. Brian, and Woodruff, William H., Ann. Rev. Phys. Chem., 49, 173-202 (1998)

"Infrared Studies of the Fast Events in Protein Folding", Dyer, R. B.; Gai, F.; Woodruff, W. H.; Gilmanshin, R.; and Callender, R. H. Acc. Chem. Res., 31, 709-716 (1998).

“Resonance Raman, X-ray Crystallographic, and Magnetic Susceptibility Studies of Metal-Metal-Bonded MoRu and WOs Porphyrin Dimers. 1. Evidence for an Unusual MO Diagram.” Collman, James P.; Harford, S. T.; Franzen, Stefan; Marchon, Jean-Claude; Maldivi, Pascale; Shreve, Andrew P.; Woodruff, William H. Inorg. Chem., 38, 2085-2092 (1999).

“Resonance Raman and X-ray Crystallographic Studies of Intertriad Metal-Metal Bonds. 2. WRu and MoOs Porphyrin Dimers.” Collman, James P.; Harford, S. T.; Franzen, Stefan; Shreve, Andrew P.; Woodruff, William H. Inorg. Chem,, 38, 2093-2097 (1999).

"Assignment of the Heme Axial Ligand(s) for the Ferric Myoglobin (H93G) and Heme Oxygenase (H25A) Cavity Mutants as Oxygen Donors Using Magnetic Circular Dichroism." Pond, Alycen E.; Roach, Mark P.; Sono, Masanori; Rux, Ann Huff; Franzen, Stefan; Hu, Robert; Thomas, Melissa R.; Wilks, Angela; Dou, Yi; Ikeda-Saito, Masao; de Montellano, Paul R. Ortiz; Woodruff, William H.; Boxer, Steven G.; Dawson, John H. Biochemistry, 38, 7601-7608 (1999).

"Distortional Isomers of a Mixed-Valence Binuclear Cu Complex." Miskowski, Vincent M.; Franzen, Stefan; Shreve, Andrew P.; Ondrias, Mark R.; Wallace-Williams, Stacie E.; Barr, Mary E.; Woodruff, William H. Inorg. Chem., 38, 2546-2547 (1999).

"Oxygen reduction and proton translocation by the heme-copper oxidases" Wikstrom, Marten; Morgan, Joel E.; Hummer, Gerhard; Woodruff, William H.; Verkhovsky, Michael I Front. Cell. Bioenerg., 193-217, (1999).

"Resonance Raman Studies of Heme Axial Ligation in H93G Myoglobin" Franzen, Stefan; Boxer, Steven G.; Dyer, R. Brian; Woodruff, William H., J. Phys. Chem. B ,104, 10359-10367, (2000).

"A Photolysis-Triggered Heme Ligand Switch in H93G Myoglobin” Franzen, Stefan; Bailey, James; Dyer, R. Brian; Woodruff, William H.; Hu, Robert B.; Thomas, Melissa R.; Boxer, Steven G Biochemistry, 40, 5299-5305 (2001).

“Electrostatic and Conformational Effects on the Electronic Structures of Distortional Isomers of a Mixed-Valence Binuclear Cu Complex” Franzen, Stefan; Miskowski, Vincent M.; Shreve, Andrew P.; Wallace-Williams, Stacie E.; Woodruff, William H.; Ondrias, Mark R.; Barr, Mary E.; Moore, Laura; Boxer, Steven G., Inorg. Chem., 40, 6375-6382 (2001).

"Time-Resolved Step-Scan Fourier Transform Infrared Spectroscopy of the CO Adducts of Bovine Cytochrome c Oxidase and of Cytochrome bo3 from Escherichia coli.” Bailey, James A.; Tomson, Farol L.; Mecklenburg, Sandra L.; MacDonald, Gina M.; Katsonouri, Andromachi; Puustinen, Anne; Gennis, Robert B.; Woodruff, William H.; Dyer, R. Brian, Biochemistry, 41, 2675-2683 (2002).

“Allometric Scaling of Metabolic Rate from Molecules and Mitochondria to Cells and Mammals”, West, Geoffrey B., Woodruff, William H., and Brown, James H., Proc. Nat. Acad. Sci. USA, 99, 2473-2478 (2002).

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