INORSunday, March 25, 2007

7:00 PM-10:00 PM Hyatt Regency Chicago -- Riverside Center, Poster
Spectroscopy --> Electronic Structure --> Reactivity
Organizers:Serena DeBeer George
Kenneth D. Karlin
Advances in synthetic copper-sulfide chemistry relevant to the CuZ site of nitrous oxide reductase
John T. York, Itsik Bar-Nahum, William B. Tolman
Altering the electronic structure of transition metal carbides
Stephen V. Didziulis, Hyun I. Kim
FeMoco biosynthesis as studied by EXAFS
Britt Hedman, Keith O. Hodgson, Mary C. Corbett, Aaron W Fay, Jerome A Webber, Yilin Hu, Markus W Ribbe
Bioinorganic chemistry on a single-molecule basis
Peng Chen, Nesha May Andoy, Jaime Benitez, Susanta Sarkar
Brilliant red crystals from colorless solution: Re-examination of the cause of the solid-state effect in bis(dimethylglyoximato)nickel(II)
Ronald L. Musselman, Asher A. Miller
Characterization of metal structure of calcium- and zinc-dependent neutral protease from Bacillus amyloliquefaciens
Sang-Kyu Lee, Louise Wallace, Serena DeBeer-George
Chemistry and spectroscopy of arsenite-thiol interactions relevant to arsenic toxicity
Dean E. Wilcox, Benjamin C. Bostick, Gretchen E. Gehrke, Anne M. Spuches, Colette F. Quinn
Characterization of molecular excited states by light-induced time resolved X-ray absorption spectroscopy (LITR-XAS)
Erik C. Wasinger, Xiaoyi Zhang, Ana Z. Muresan, Klaus Attenkofer, Guy Jennings, Jonathan S. Lindsay, Lin X. Chen
Understanding how the thiolate sulfur contributes to the function of the non-heme iron enzyme superoxide reductase (SOR)
Julie A. Kovacs, Terutaka Kitagawa, Elaine Nam, Abhishek Dey, Priscilla Lugo-Mas, Lisa M. Brines, Gloria Villar, Pauline Alokolaro, Edward I. Solomon
Differential sensing of protein influences by NO and CO vibrations in heme adducts
Mohammed Ibrahim, Changliang Xu, Thomas G. Spiro
Development of Pd L-edge X-ray absorption spectroscopy and its application to chloropalladium complexes
Robert K. Szilagyi
Electrocatalysis of copper-containing oxidases and their electrocatalytic applications
Woonsup Shin, Yousung Kim, Ahyeon Koh
Electronic structure contributions to catalysis in pyranopterin molybdenum enzymes
Martin L. Kirk, Charles G Young, Craig Gourlay, Sushilla Z Knottenbelt
Electronic structure of cationic porphyrazines
A. B. P. Lever
Electronic structure of ferric heme nitrosyl complexes with thiolate coordination
Nicolai Lehnert, Florian Paulat
New mononuclear copper(II)-superoxo or copper(II)-hydroperoxo complexes and investigation of their substrate reactivity
Kenneth D Karlin, Debabrata Maiti
Biferrous methodology and its applications to the ferroxidase sites in m-Ferritin, Bacterioferritin, and related systems
Jennifer K. Schwartz, Pin-pin Wei, Xiaofeng Liu, Victor Huang, Donald Kurtz, Elizabeth Theil, Edward I. Solomon
Geometric and electronic studies of toluene-4-monooxygenase and component D effector protein
Pin-pin Wei, Jennifer K. Schwartz, Kevin H. Mitchell, Brian G. Fox, E. I. Solomon
High resolution core and valence band XPS of non-conductor silicates
G. Michael Bancroft, VPAlya Zakaznova-Herzog, H. Wayne Nesbitt, John S Tse
Kinetic and spectroscopic characterization of de novo designed binuclear iron active sites
Caleb B. Bell III, Pin-pin Wei, Jennifer R. Calhoun, William F DeGrado, Edward I. Solomon
Molecular mechanisms of manganese neurotoxicity: A bioinorganic chemist's perspective
Liliana Quintanar, Teresa Montiel, Lourdes Massieu
Exploring the role of sulfur radicals in oxidative neurodegeneration and other biological redox processes
Anusha Karunakaran, Vlad Martin-Diaconescu, Pierre Kennepohl
Overcoming the spin forbidden nature in the O2 reaction of the intradiol dioxygenases
Monita Y. M. Pau, John D. Lipscomb, Edward I. Solomon
Photoelectron spectroscopy of first-row transition metal complexes of octaethylporphyrin
Dennis L. Lichtenberger, Nadine E. Gruhn, F. Ann Walker
Oxygen activation by the non-coupled binuclear copper enzymes
Julia S. Woertink, Edward I. Solomon
Photophysical properties of mer and fac isomers of homo- and hetero-leptic tris-cyclometalated iridium(III) complexes
Joseph C. Deaton, Shouquan Huo, David J. Giesen
Pre-steady state kinetic studies (on the microsecond time scale) of the Laccase from Trametes versicolor
Simon de Vries, Inga Matijosyte, Roger A. Sheldon, Isabel WCE. Arends
Probing the chemical origins of physical properties of metallomesogens via Raman spectroscopy
David F. Dye, Jeffery M. Zaleski
Reaction of iron(III) polyaminocarboxylate complexes with hydrogen peroxide: Correlation between ligand structure and reactivity
Satoshi Fujii, Chiyo Tsueda, Kunio Yamabe, Kohsuke Nakajima, Hiroshi Sakai
Reactive complexes in myoglobin and nitric oxide synthase
K Kristoffer Andersson, Armelle V Agasoester, Espen Harbitz, Aasmund K Roehr, Morten Sorlie, Carl-Henrik Gorbitz, Stéphane Marchal, Reinhard Lange, Anthonio C F Gorren, Toru Shimizu, Alfred X Trautwein, Bernd Mayer, Hans-Petter Hersleth
S K-edge XAS and DFT calculations on Fe(III) and Ni(II) thiolate complexes: Effects of H-bonding on metal-sulfur Bond covalency
Abhishek Dey, Stephen P Jefferey, Marcetta Y. Darensbourg, Taka-aki Okamura, Norikazu Ueyama, Britt Hedman, Edward I. Solomon
Structural and spectroscopic comparison of the five-coordinate cobalt(II) and nickel(II) thiolato complexes with the related four-coordinate complexes
Kiyoshi Fujisawa, Tomonori Kakizaki, Yuki Matsunaga, Yoshitaro Miyashita, Ken-ichi Okamoto
Structure/function correlations of mononuclear non-heme ferrous enzymes: Spectroscopic and DFT studies of pterin-dependent hydroxylases
Marina S. Chow, Samuel Wilson, Gulbenk Anarat, Supratim Datta, Bekir Eser, Amanda Lee, Mahdi M. Abu-Omar, John P. Caradonna, Paul F. Fitzpatrick, Edward I. Solomon
The liposome binding nitrophorin 7 from the blood sucking bug Rhodnius prolixus: Spectroscopic and functional studies compared to the well-established NP1-4
Markus Knipp, Robert E. Berry, Tatiana Kh. Shokhireva, Hongjun Zhang, Maxim N. Shokhirev, F. Ann Walker
The CuZ active site of nitrous oxide reductase: Geometric and electronic structure and role in N2O reduction
Somdatta Ghosh, Serge I. Gorelsky, Serena DeBeer George, Inês Cabrito, Jeannine Chan, David M. Dooley, Isabel Moura, José J. G. Moura, Edward I. Solomon
The nonheme oxoiron(IV) reaction landscape
Lawrence Que Jr., Michael R. Bukowski, Timothy A. Jackson, Eric J Klinker, Ruben Mas-Balleste, Oleksandr Pokutsa, Kallol Ray, Xiaopeng Shan, Genqiang Xue, Yuming Zhou
Paper Withdrawn
The structural basis of the ferrous iron specificity of the yeast ferroxidase, Fet3p
Daniel Kosman, Christopher S. Stoj, Liliana Quintanar, Edward I. Solomon
The two state issue and electron delocalization in the mixed-valence binuclear CuA center in cytochrome c oxidase and N2O reductase
Xiangjin Xie, S. I. Serge, Ying Chen, James A. Fee, Edward I. Solomon
Comprehensive study of electronic properties of the OH-functionalized single walled carbon nanotubes
S Lim, Jianyi Lin
Variable frequency pulsed EPR studies of oxo-molybdenum centers in enzymes and model compounds
John H. Enemark, Andrei V. Astashkin, Arnold M. Raitsimring, Eric L. Klein, Kayunta Johnson-Winters, Changjian Feng
XAS and NRVS of high-valent Fe complexes: Spectroscopic characterization of Fe(V) and Fe(VI)
Serena DeBeer George, John F. Berry, Núria Aliaga-Alcalde, Taras Petrenko, Eckhard Bill, Bernd Mienert, Wolfgang Sturhahn, Karl Wieghardt, Frank Neese
Mechanisms of peroxide and oxygen reduction on electrode surfaces
Andrew A. Gewirth, Karen Stewart, Ezra E. Eibergen, Matthew S. Thorum
Copper(II) binding to alpha-synuclein, the Parkinson's protein
H. B. Gray, J. R. Winkler, J. C. Lee
Density functional theory (DFT) studies of structures and properties for high-valent intermediates Q in methane monooxygenase (MMO) and X in ribonucleotide reductase (RNR)
Louis Noodleman, Wen-Ge Han, Eduardo M. Sproviero, Victor S. Batista
{FeNO}7 complexes of mononuclear non-heme iron enzymes: Exploring reaction pathways in αKG-dependent and related enzymes
Christina D. Brown, Michael L. Neidig, Matthew B. Neibergall, John D. Lipscomb, Edward I. Solomon
Reactivity of aqua ferrate(VI, V, and IV) with inorganic and organic substrates
Virender K. Sharma, Diane E. Cabelli
Role of inner and outer coordination sphere residues in the structure and oxygen reactivity of the trinuclear copper cluster in the multicopper oxidases
Anthony J Augustine, Christopher Stoj, Daniel Kosman, Edward I. Solomon
V-51 solid state NMR spectroscopy of vanadium (V) complexes with dipicolinic acid
Stephanie Bolte, Bharat Baruah, Jason J. Smee, Debbie C Crans, Tatyana Polenova

Symposium Grid -- Division of Inorganic Chemistry -- Session Listing

The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007