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Publications:

April, May and June 2005

January, February and March 2005


October, November and December 2004

July, August and September 2004

April, May and June 2004

January, February and March 2004


April, May and June 2005

Anovitz, L. M., J. M. Elam, L. R. Riciputi, D. R. Cole, and M. Fayek, "Obsidian Hydration: A New Paleothermometer/Paleohygrometer," submitted to Nature.

Anovitz, L. M., L. R. Riciputi, D. R. Cole, J. M. Elam, and M. S. Gruszkiewicz, "The Effect of Changes in Relative Humidity on Rates of Obsidian Hydration," presentation at the 60th Calorimetry Conference, Gaithersburg, MD, June 26-30, 2005.

Baranyai, A., A. Bartok, and A. A. Chialvo, "Limitations of Simple Rigid Planar Non-Polarizable Models of Water," submitted to Journal of Chemical Physics.

Beach, D. B., B. G. Sumpter, S. D. Labinov, R. K. Richards, and A. J. Rondinone, " Solid-State Combustion of Metallic Nanoparticles: New Possibilities for an Alternative Energy Carrier," submitted to Nature - Materials.

Bhuiyan, M. S., S. Sathyamurthy, and D. B. Beach, "Development of Rare Earth Niobate Buffer Layer for YBCO Coated Conductor Using chemical Solution Deposition Approach," presentation at the MRS 2005 Spring Meeting, San Francisco, CA, March 29-April 1, 2005.

Bonnesen, P. V., "Report of Trip to Marshallton Labs, Tobaccoville, NC on May 10, 2005.

Britt, P. F., "Synthesis and Characterization of Novel Polymer Architectures," presentation at the X-Rays and Neutrons: Essential Tools for Nanoscience Research Workshop, Washington, DC, June 16-18, 2005

Brown, S. S., H. J. Im, A. J. Rondinone, and S. Dai, "Facile, Alternative Synthesis of Lanthanum Phosphate Nanocrystals by Ultrasonication," submitted to Journal of Colloid and Interface Science.

Buchanan, A. C., M. K. Kidder, and P. F. Britt, "Aromatic Functionalized Nanoporous Silicas: Synthesis, Characterization, and Thermal Reactivity," presentation at PACIFICHEM 2005, Honolulu, HI, December 15-20, 2005.

Chialvo, A. A., "Molecular-Based Understanding of Fluid Behavior: The Problem is Never on the Molecular Level," presentation at Tennessee Tech, Cookeville, TN, April 21, 2005.

Chialvo, A. A. and J. M. Simonson, "Molecular-Based Study of the Solvation Behavior of Short-Chain Poly-electrolytes in Aqueous Solutions. LiPSS versus Li-PPS," presentation at the 2005 AICHE Annual Meeting, Cincinnati, OH, October 30-November 4, 2005.

Chialvo, A. A, "Ion Pairing and Counterion Condensation in Aqueous Polyelectrolyte Solutions. Why Bother with Them?," presentation at the University of Eotvos, Budapest, Hungary, September 2, 2005.

Custelcean, R., Gorbunova, M. G., P. V. Bonnesen, B. A. Moyer, and B. P. Hay, "Anion Recognition in Metal-Organic Frameworks," presentation Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Custelcean, R., B. A. Moyer, and B. P. Hay, "Anion Recognition in Metal-Organic Frameworks: Selective Encapsulation of Sulfate in a Coordination Polymer Functionalized with Urea Hydrogen-Bonding Groups," submitted to Journal of the American Chemical Society.

Dabestani, R., M. Kidder, and A. C. Buchanan, III, "Impact of Restricted Diffusion on the Photophysics and Dynamics of Chemically Attached Organic Probe at Interfaces," presentation at the American Chemical Society 230th National Meeting, Washington, DC, August 28-September 1, 2005.

Dai, S., C. Tsouris, V. F. de Almeida, C. Liang, P. taboada-Serrano, and C.-H. Hou, "Chemistry of Novel Separation," presentation at the 2004 DOE-BES Separations & Heavy Element Chemistry Conference, Rockville, MD, April 28-30, 2005.

Delmau, L. H., P. V. Bonnesen, N. L. Engle, B. A. Moyer, H. Zhou, M. A. Wegiel, and R. A. Bartsch, "Cesium Extraction by Calix[4]arenes Functionalized with Proton-Ionizable Groups. Study of Selectivity Over Other Alkali Cations," presentation at the 29th Actinide Separations Conference, Nashville, Tennessee, May 9-12, 2005.

Evans, B. R., H. M. O'Neill, J. Y. Howe, and E. Greenbaum, " Photocatalyzed Electron Transfer from Spinach PSI to Metal Nanoparticles," presentation at the 230th American Chemical Society National Meeting, Washington, DC, August 28-September 1, 2005.

Gibson, J. K. and J. Marcalo, "New Developments in Gas-Phase Actinide Ion Chemistry," submitted to Coordination Chemistry Reviews.

Goeringer, D. E. and L. A. Viehland, "Moment Theory of Ion Motion in Electrodynamic Quadrupole Ion Traps," presentation at the 53rd ASMS Annual Conference, San Antonio, TX, June 5-9, 2005.

Greenbaum, E., T. Kuritz, E. T. Owens, B. R. Evans, H. M. O'Neill, I. Lee, and M. S. Humayan, "Photosynthetic Bioinspired Chemistry: Molecular Photovoltaics, Artificial Sight and Metal-Protein Interfaces," presentation at the Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Gruszkiewicz, M. S. and A. Bursik, "Degassed Conductivity - Comments on an Interesting and Reasonable Plant Cycle chemistry Monitoring Technique, Part 3: Degassing of Strong Inorganic Acids and a Final Assessment," submitted to Power Plant Chemistry.

Haire, R. G., S. Heathman, T. Le Bihan, and M. Idiri, "Important Insights into Actinide Bonding and Chemistry are Revealed through High-Pressure Investigation," presentation at the Actinides 2005 Conference, Manchester, England, July 4-8, 2005.

Heathman, S., R. G. Haire, T. Le Bihan, M. Idiri, P. Normile, S. Li, R. Ahuja, B. Johansson, and G. H. Lander, "A High-Pressure Structure in Curium Linked to Magnetism," submitted to Science.

Heller, W. T., A. M. Augustus, P. N. Reardon, and L. D. Spicer, "SANS with Contrast Variation Study of the Methionine Repressor MetJ-DNA Complex," presentation at the International Conference on Neutron Scattering 2005, Sydney, Australia, November 27-December 2, 2005.

Keller, J. M., "Overview of ORNL Gamma Spectrometry Measurements on IAEA Swipe Samples," presentation at the Consultants' Group Meeting on HRGS of Environmental Samples, Vienna, Austria, May 25, 2005.

Kertesz, V., G. J. Van Berkel, and M. C. Granger, "Study and Application of a Controlled-Potential Electrochemistry - Electrospray Emitter for Electrospray Mass Spectrometry," submitted to Analytical Chemistry.

Krsti, P. S., J. C. Wells, M. Fuentes-Cabrera, D. Xu, and J. W. Lee, "Toward Electronic Conductance Characterization of DNA Nucleotide Bases," submitted to Biophysical Journal-Biophysical Letters.

Giaquinto, J. M. and D. L. Denton, "Using Eichron Resins to Simplify the Analyses for gallium Content and Atom Percent Fission of Irradiated MOX Fuels," Eichron 2005 North American Users' Group Workshop.

Greenbaum, E., T. Kuritz, T. M. O'Hearn, G. Qiu, S. Sadda, I. Lee, E. T. Owens, and M. S. Humayun, "Molecular Photovoltaics, Biocompatibility and the Photoactivation of Mammalian Cells," presentation at the AANM Annual Scientific Meeting, Baltimore, MD, August 15-16, 2005.

Harris, W. A., P.T.A. Reilly, and W. B. Whitten, "MALDI of Individual Biomolecule-Containing Airborne Particles with an Ion Trap Mass Spectrometer," presentation at the American Association for Aerosol Research Annual Meeting, Austin, TX, October 17-21, 2005.

Hart, K. J., M. B. Wise, R. R. Smith, and W. H. Griest, "Analysis of Chemical Agents and Toxic Industrial Chemicals Using a Mobile Ion Trap Mass Spectrometer," presentation at the Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Hervey, W. J., A. M. Tebbe, N. C. VerBerkomoes, M. B. Shah, D. A. Palletier, F. W. Larimer, and G. B. Hurst, "Proteomic Verification of Signal Peptide Prediction Algorithms in Rhodopseudomonas palustris.

Hurst, G. B., D. A. Pelletier, S. J. Kennel, F. W. Larimer, W. H. McDonald, T. K. Lankford, M. B. Shah, D. D. Schmoyer, T-Y. S. Lu, L. J. Foote, C. K. McKeown, W. J. Hervey, M. B. Strader, R. L. Hettich, H. M. Connelly, and M. V. Buchanan, "Affinity Isolation and Mass Spectrometric Analysis of Protein Complexes from Rhodopseudomonas Palustris.

Hutchens, S., R. Benson, B. R. Evans, and H. M. O'Neill, "Characterization of a Calcium-Deficient Hydroxyapatite-Bacterial Cellulose Composite by FTIR," 30th Annual Meeting for the Society of Biomaterials, Memphis, TN, April 27-30, 2005.

Luo, H., S. Dai, P. V. Bonnesen, T. J. Haverlock, B. A. Moyer, and A. C. Buchanan, III, " A Striking Effect of Ionic-Liquid Anions in the Extraction of Sr2+ and Cs+ by Dicyclohexano-18-Crown-6," submitted to Analytical Chemistry.

Moyer, B. A., P. V. Bonnesen, R. Custelcean, L. H. Delmau, T. J. Haverlock, B. P. Hay, J. L. Sessler, and K. Bowman-James, "Strategies for Employing Host-Guest Chemistry in Liquid-Liquid Separation of Ions," presentation at Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Moyer, B. A., E. Bazelaire, P. V. Bonnesen, L. H. Delmau, M. E. Ditto, N. L. Engle, T. J. Haverlock, T. G. Levitskaia, R. A. Bartsch, M. A. Surowiec, and H. Zhou, "Advances in Cesium Extraction by Calix[4]arene-crown-6 Compounds," presentation at the 14th Symposium on Separation Science and Technology for Energy Applications, Gatlinburg, TN, October 23-27, 2005.

Mullins, D. R. and J. Zhou, "The Interaction of Carbonyls with Oxide Surfaces: The Adsorption of Formaldehyde on CeOx(111)," presentation at the AVS 52nd International Symposium and Exhibition, Boston, MA, October 30-Novenmber 4, 2005.

O'Neill, H. M., B. R. Evans, and E. Greenbaum, "Photodependent Hydrogen Evolution by Photosystem I Entrapped in Hybrid Organosilicate Glasses," presentation at the 230th National Meeting of the American Chemical Society, Washington, DC, August 28-September 1, 2005.

Overbury, S. H., S. Dai, D. R. Mullins, E. W. Hagaman, S. J. Pennycook, V. Schwartz, W. Yan, H. Zhu, B. K. Chang, S. Mahurin, A. Lupini, and S. Rashkeev, "Nanocatalysts: Synthesis, Properties, and Mechanisms," presentation at the 2005 DOE/BES Catalysis Program Contractors' Meeting, Rockville, MD, May 18-21, 2005.

Overbury, S. H., B. K. Chang, W. Yan, and S. Dai, "Steady State and Pulsed Reactor Studies of Performance of Au Catalysts on Layered Supports," presentation at the Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Reilly, P.T.A., R. Zhang, W. A. Harris, and W. B. Whitten, "Isotope Ratios of Metals in Airborne Particles from Single-Particle Laser Ablation Mass Spectrometry," presentation at the American Association for Aerosol Research Annual Meeting, Austin, TX, October 17-21, 2005.

Reilly, P.T.A. and W. B. Whitten, "ORNL Detection Component Summary," presentation at the Bioaerosol Review Meeting, Richland, WA, May 19-20, 2005.

Rondinone, A. J., "Radioimmonotherapy Using Oxide Nanoparticles," presentation at Pacifichem 2005, Honolulu, HI, December 15-20, 2005.

Rondinone, A. J., S. Kennel, S. Dai, S. Mirzadeh, and J. Woodward, "Nanochemistry for SPECT, PET and Therapeutic Radiopharmaceuticals," presentation at the Nuclear Science Symposium & Medical Imaging Conference, Puerto Rico, October 23-29, 2005.

Schwartz, V., D. R. Mullins, W. Yan, S. Dai, and S. H. Overbury, "Support Effect on the Size of Au Particles on Functionalized Amorphous Silica," presentation at the 2005 AIChE Annual Meeting, Cincinnati, Ohio, October 30-November 4, 2004.

Shaw, R. W., V. Davis, R. N. Potter, L. L. Wilson, C. S. Feigerle, M. E. Peretich, and C. J. Liaw, "Corrugated Thin Diamond Foils for SNS H- Injection Stripping," Particle Accelerator Conference 2005, Knoxville, TN, May 16-20, 2005.

Stewart, E., M. S. Bhuiyan, S. Sathyamurthy, and M. Paranthaman, "Studies of Solution Deposited Cerium Oxide Thin Films on Textured Ni-Alloy Substrates for YBCO Superconductor," submitted to Materials Research Bulletin.

Stewart, G. R., J. S. Kim, R. E. Sykora, and R. G. Haire, "Highly Correlated Electron Behavior in NpCu5-x(Pd,Ni)x - a Contrast to UCu5-x(Pd,Ni)x," submitted to Physica B, Condensed Matter.

Thompson, M. R., N. C. Verberkmoes, K. Chourey, S. D. Brown, D. K. Thompson, and R. L. Hettich, "Proteome Characterization of Chromium-Shocked and Chromium-Adapted Shewanella Oneidensis," presentation at the 53rd ASMS Annual Conference, San Antonio, TX, June 5-9, 2005.

Yan, W., V. Petkov, S. M. Mahurin, S. H. Overbury, and S. Dai, "Powder XRD Analysis and Catalysis Characterization of Ultra-Small Gold Nanoparticles Deposited on Titania Modified SBA-15," submitted to Catalysis Communications.

Yan, W., S. M. Mahurin, S. M. Bei, S. H. Overbury, and S. Dai, "Effect of Supporting Surface Layers on Catalytic Activities of Gold Nanoparticles in CO Oxidation," submitted to Journal of Physical Chemistry B.

Verbeck, G. F., J. Moxom, and W. B. Whitten, "Resistive Glass Drift Tube Used to Inject Externally Formed Ions into a Submillimeter Ion Trap," presentation at the 53rd ASMS Conference, San Antonio, TX, June 5-9, 2005.

Wesolowski, D. J., D. A. Palmer, and P. Benezeth-Gisquet, "Comment on 'The Dissolution Rates of Gibbsite in the Presence of Chloride, Nitrate, Silica, Sulfate and Citrate in Open and Closed Systesms at 20C' by M. Dietzel and G. Bohme," submitted to COMMENT for Geochimica et Cosmochimica Acta.

Wright, K. C., P. T. Reilly, and W. B. Whitten, "Real-Time Measurement of the Mass and Composition of Particles," presentation at the American Association for Aerosol Research Annual Meeting, Austin, TX, October 17-21, 2005.

Zhou, J. and D. R. Mullins, "Rh-promoted Decomposition of Methanol Adsorbed on Cerium Oxide Thin Films," presentation at the AVS 52nd International Symposium and Exhibition, Boston, MA, October 30-Novenmber 4, 2005.

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January, February and March 2005

Baranyai, A., A. Bartok, and A. A. Chialvo, "Computer Simulation of the 13 Phases of Ice," submitted to Journal of Chemical Physics.

Beach, D. B., B. G. Sumpter, and S. D. Labinov, "Metallic Nanofuels: Combustion in the Solid State," American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Britt, P. F., J. M. Pickel, I. D. Chung, and J. M. Mays, "Synthesis and Self-Assembly of Amphiphilic Block Copolymers as Potential Drug Delivery Agents," presentation at the Biomedical Applications of Nanotechnology, Bethesda, MD, March 17-18, 2005.

Brown, G. M., P. V. Bonnesen, R. Dabestani, G. Goretzki, M. Gorbunova, D. R. Walt, D. J. Monk, and S. A. Bryan, "Optical Sensors for Real-Time In Situ Characterization of High-Level Waste," presentation at the DOE EMSP HLW Workshop, Savannah River Site, January 19-20, 2005.

Buchanan, A. C., "Organic Radical Reactions in Mesoporous Silica: Impact of Pore Surface Confinement," presentation at the Frontiers in Chemical Physics Workshop, University of Tennessee, Knoxville, TN, February 10-12, 2005.

Buchanan, A. C., M. K. Kidder, P. F. Britt, Z. Zhang, S. Dai, E. W. Hagaman, and A. L. Chaffee, "Pyrolysis of Mesoporous Silica-Immobilized 1,3-Diphenylpropane. Impact of Pore Confinement and Size," submitted to Journal of the American Chemical Society.

Chialvo, A. A., "Ion Pair Formation and Counterion Condensation in Aqueous Electrolytes and Polyelectrolyte Solutions. Insights from Molecular Simulation," presentation at the EMLG/JMLJ Annual Meeting 2005: Modern Tools for the Study of Liquid Systems, Prague, Czeck Rep., September 4-8, 2005.

Chialvo, A. A., and J. Horita, "Vapor-Liquid Equilibria and Thermophysical Behavior of the SPC-HW Model of Heavy Water," submitted to Journal of chemical Physics.

Chialvo, A. A., M. Kettler, and I. Nezbeda, "Effect of the Range of Interactions on the Properties of Fluids. Part II. Structure and Phase Behavior of Acetonitrile, Hydrogen Fluoride, and Formic Acid," submitted to Journal of Physical Chemistry B.

Connelly, H., D. Robinette, M. Giddings, and R. L. Hettich, "Top-Down MS Proteome Measurements of E Coli Antibiotic-Resistance Strains," presentation at the Association of Biomolecular Resource Facilities Annual Meeting, Savannah, Georgia, February 5-8, 2005.

Custelcean, R., M. G. Gorbunova, P. V. Bonnesen, B. A. Moyer, and B. P. Hay, "Pore Functionalization in Metal-Organic Frameworks: A Flexible Microporous Coordination Polymer with Free Carboxylic Groups Attached to the Pore Walls," presentation at the BES Contractors' Separations and Heavy Element Chemistry Meeting, Rockville, MD, April 27-28, 2005.

Custelcean, R. and M. G. Gorbunova, "Pore Functionalization in Metal-organic Frameworks: A Flexible Microporous Coordination Polymer with Free Carboxylic Groups Attached to the Pore Walls," submitted to Angew. Chem. Int. Ed.

Custelcean, R. and M. G. Gorbunova, "Protonation-assisted Spontaneous Resolution: Formation of a Homochiral 2D Interpenetrated Hydrogen-Bonded Network from 4,4'-Binicotinic Acid Under Highly Acidic Conditions," submitted to CrystEngComm.

Dai, S., H. Luo, P. V. Bonnesen, and A. C. Buchanan, "Tailoring Ionic Liquids for Separation of Actinides and Fission Products," 24th Rare Earth Research Conference, Keystone, CO, June 26-30, 2005.

Delmau, L. H., "Solvent Extraction for Applications to High-Level Waste Remediation," presentation for the Chemistry Department, Washington State University, March 21, 2005.

Gibson, J. K., "Gas-Phase Actinide Ion Chemistry – Reaction Kinetics and Molecular Thermochemistry," presentation at the Wichita State University, Chemistry Department Colloquium, Wichita, KS, April 13, 2005.

Gibson, J. K., R. G. Haire, J. Marcalo, M. Santos, and A. Pires de Matos, "Reactions of Actinide Ions in the Gas Phase: New Issues in Molecular Actinide Chemistry," presentation at the PacifiChem 2005, Honolulu, HA, December 15-20, 2005.

Gibson, J. K., "Gas-Phase Actinide Ion Chemistry – Reaction Kinetics and Molecular Thermochemistry," presentation at the 2005 DOE/BES Separations and Heavy Element Chemistry Contractors' Meeting, Bethesda, MD, April 28-30, 2005.

Goretzki, G., G. M. Brown, P. V. Bonnesen, and R. Dabestani, "Dual Function Fluorescent Sensors Based on PET Excimer Formation in Bipyrene Ligands," submitted to Journal of Materials Chemistry.

Greenbaum, E., B. R. Evans, I. Lee, and J. M. O'Neill, "Nanoscale Photosynthesis, Molecular Interactions, and the Photocatalytic Evolution of Hydrogen," presentation at the UT Chemical Physical Workshop, University of Tennessee, Knoxville, TN, February 10-12, 2005.

Greenbaum, E., "Photosynthetic Biotechnology: Renewable Hydrogen Production and Advanced Biosensors for Environmental Monitoring and Protection," presentation for the Department of Environmental Engineering, Georgia Institute of Technology, Atlanta, GA, February 28, 2005.

Greenbaum, E. and C. A. Sanders, "Retinal Prosthesis Microelectrodes: The Role of Materials Science Research in Electrode Performance Under Real-World Operating Conditions," presentation at the Second DOE symposium on Artificial Sight, Fort Lauderdale, FL, April 29, 2005.

Gruszkiewicz, M. S., J. M. Simonson, T. D. Burchell, and D. R. Cole, "Water Adsorption and Desorption on Microporous Solids at Elevated Temperature," submitted to Calorimetry and Thermal Analysis (Netsu Sokutei – Japan).

Harris, W. A., P.T.A. Reilly, and W. B. Whitten, "MALDI of Individual Biomolecule-Containing Airborne Particles with an Ion Trap Mass Spectrometer," presentation at the 53rd American Society for Mass Spectrometry Conference, June 5-9, 2005, San Antonio, TX.

Hettich, R. L., N. VerBerkmoes, M. Thompson, C. Shook, A. Borole, M. Shah, F. Larimer, and B. Davison, "Technology Development for Characterizing the Complex Metaproteomes of Microbial Communities," presentation at the Association of Biomolecular Resource Facilities Annual Meeting, Savannah, GA, February 5-8, 2005.

Hong, K., T. Huang, P. F. Britt, M. Pyda, and J. W. Mays, "Thermal Characteristics of Poly(1,3-Cyclohexadiene)," presentation at the POLY Program, 229th American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Hong, K., H. Pan, P. F. Britt, and J. W. Mays, "Sulfonation of 1,3-Cyclohexadiene Polymers," submitted to Chemical Communications.

Horita, J., "Some Perspectives on Isotope Biosignatures for Early Life," submitted to Chemical Geology – special issue "In Search of Isotope Biosignatures".

Horita, J., "Stable Isotope Thermometry: There is More to it Than Temperature," submitted to Geochemical Journal.

Horita, J., "Introduction to 'In Search of Isotope Biosignatures'," submitted to Chemical Geology – special issue "In Search of Isotope Biosignatures".

Johnson, C. K., "Thermal Motion Analysis via Modern Probability Methods," presentation at the XX Congress of the International Union of Crystallography, Florence, Italy, August 23-31, 2005.

Lee, I., J. A. Stuart, S. Budy, J. R. Hillebrecht, R. R. Birge, and E. Greenbaum, "Scanning Surface Potential Microscopy of Bacteriorhodopsin Mutant D96N," presentation at the Microscopy * Microanalysis 2005, Honolulu, HA, July 31-August 4, 2005.

Lee, J. W. and T. G. Thundat, "Nanoscale Science and Engineering for Detection and Manipulation of Individual Molecules," presentation at the China NANO 2005, Beijing, China, June 9-11, 2005.

Li, Z. and S. Dai, "Surface Functionalization and Pore Size Manipulation for Carbons of Ordered Structure," submitted to Chemistry of Materials.

Moyer, B. A., H.-A. Kang, and M. G. Gorbunova, "Principles of chemical Recognition and Transport in Extractive Separations: Selectivity in Liquid-Liquid Extractions of Anions," presentation at the BES Contractors' Separations and Heavy Element Chemistry Meeting, Rockville, MD, April 27-28, 2005.

Pan, C., P. Lankford, D. Pelletier, W. H. McDonald, D. Tabb, F. Larimer, G. B. Hurst, and R. L. Hettich, "An Integrated MS Technology Platform for the Quantitative Characterization of Rhodopseudomonas palustris Proteomes with Metabolic Stable Isotope Labeling," presentation at the Association of Biomolecular Resource Facilities Annual Meeting, Savannah, GA, February 5-8, 2005.

Paranthaman, M., T. Aytug, H. Y. Zhai, L. Heatherly, A. Goyal, and D. K. Christen, "Growth of YBCO Films on MgO-based Rolling-assisted Biaxially Textured Substrates Templates," submitted to Institute of Physics, Superconductor Science & Tech.

Paranthaman, M., M. S. Bhuiyan, S. Sathyamurthy, H. Y. Zhai, A. Goyal, and K. Salama, "Epitaxial Growth of Solution-based Rare-earth Niobate, RE3NbO7, Films on Biaxially Textured Ni-W Substrates," published in J. Mater. Res., 20(1), January 2005.

Reilly, P.T.A., W. A. Harris, and W. B. Whitten, "Aerosol Inlet and Ionization Source for Real-time Detection of CW and BW Agents," presentation at the 53rd American Society for Mass Spectrometry Conference, June 5-9, 2005, San Antonio, TX.

Sathyamurthy, S., K. J. Leonard, R. T. Debastani, and M. P. Paranthaman, "Reverse Micellar Synthesis of Cerium Oxide Nanoparticles," submitted to Nanotechnology.

Sykora, R. E., Z. Assefa, R. G. Haire, and T. E. Albrecht-Schmitt, "Syntheses, Structures, and the Raman and Photoluminescence Properties of Am(IO3) and Cm(IO3)3," submitted to Inorganic Chemistry.

Thompson, M., N. C. VerBerkmoes, K. Chourey, S. Brown, D. Thompson, and R. L. Hettich, "Proteome Characterization of Chromium-shocked and Chromium-adapted Shewanella Oneidensis," presentation at the Association of Biomolecular Resource Facilities Annual Meeting, Savannah, GA, February 5-8, 2005.

Verbeck, G. F., J. Moxom, and W. B. Whitten, "Resistive Glass Drift Tube Used to Inject Externally Formed Ions into a Submillimeter Ion Trap," presentation at the 53rd American Society for Mass Spectrometry Conference, June 5-9, 2005, San Antonio, TX.

VerBerkmoes, N. C., R. J. Ram, M. P. Thelen, G. W. Tyson, J. F. Bainfield, and R. L. Hettich, "Proteomics of the Microbial Community in an Acid Mine Drainage Biofilm," presentation at the Association of Biomolecular Resource Facilities Annual Meeting, Savannah, GA, February 5-8, 2005.

Wise, M. B., K. J. Hart, W. H. Griest, and R. R. Smith, "New Applications and Developments in Block II Chemical and biological Detection," presentation at the ASMS: Mass Spectrometry in Forensics and Counterterrorism, Clearwater Beach, FL, January 28-February 1, 2005.

Whitten, W. B., P.T.A. Reilly, G. F. Verbeck, and J. Moxom, "Development of a Hand-Portable Mass Spectrometry for Nonproliferation/Safeguards Applications," presentation at the TIE 2005 Conference, Albuquerque, NM, April 13-14, 2005.

Woods, J. B., D. B. Beach, C. L. Nygrun, and Z.-L. Xue, "Chemical Vapor Deposition," submitted to Chemical Vapor Deposition.

Wright, K. C., P. T. Reilly, and W. B. Whitten, "Technology for Extending the Mass Range of Ion Traps and Linear Quadrupoles to Giagadaltons and Beyond," presentation at the 53rd American Society for Mass Spectrometry Conference, San Antonio, TX, June 5-9, 2005.

Yan, W., B. Chen, S. M. Mahurin, V. Schwartz, D. R. Mullins, A. R. Lupini, S. J. Pennycook, S. Dai, and S. H. Overbury, "Preparation and Comparison of Supported Gold Nanocatalysts on Anatase, Brookite, Rutile, and P25 Polymorphs of TiO2 for Catalytic Oxidation of CO," submitted to Journal of Physical Chemistry B.

Yan, W., S. M. Mahurin, S. H. Overbury, and S. Dai, "Nonhydrolytic Layer-by-Layer Surface Sol-Gel Modification of Powdered Mesoporous Silica Materials," submitted to Chemistry of Materails.

Zhang, R., W. A. Harris, P.T.A. Reilly, and W. B. Whitten, "Determination of Isotope Ratios in Airborne Particles from Single-Particle Laser Ablation Mass Spectrometry," presentation at the 53rd American Society for Mass Spectrometry Conference, June 5-9, 2005, San Antonio, TX.

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October, November and December 2004

Anovitz, L. M., L. R. Riciputi, D. R. Cole, and M. Fayek, " 'Hydration' of Ryholitic Glasses: Comparison Between High- and Low-Temperature Processes," submitted to The American Mineralogist.

Bao, L., S. M. Mahurin, and S. Dai, "Surface-enhanced Raman Scattering of Ultrathin Cadmium Sulfide Film Prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) Technique," presentation at the Pittsburgh Conference, Orlando, FL, February 27-March 4, 2005.

Bonnesen, P. V., "Development of the Caustic-Side Solvent Extraction Process for Cesium Removal from Savannah River Waste," presentation at the Glenn T. Seaborg Center Seminar, Berkeley, CA, December 8, 2004.

Britt, P. F., B. G. Sumpter, and A. C. Buchanan, "Impact of Intramolecular hydrogen-Bonding on C-O Homolysis of Lignin Model Compounds: A Theoretical Study," presentation at the American Chemical Society National Meeting, San Diego, CA, March 13-17, 2005.

Brown, G. M., and T. Thundat, "Micromechanical Cantilever Sensor Array for Environmental Monitoring," presentation at the SPIE International Symposium, Optics East, Philadelphia, PA, October 25-28, 2004.

Buchanan, A. C., III, M. K. Kidder, and P. F. Britt, "Pyrolysis of Benzyl Phenyl ether Confined in Mesoporous Silica," presentation at the American Chemical Society National Meeting, San Diego, CA, March 13-17, 2005.

Chialvo, A. A. and J. Horita, "Isotope Effects on Phase Equilibria of Pure Fluids and Mixtures. Molecular Simulation, Theory and Experiment," presentation at the 15th Annual Goldschmidt Conference – Special Symposium, Moscow, ID, May 20-25, 2005.

Crabtree, G., M. Dresselhaus, and M. V. Buchanan, "Materials Research and the Hydrogen Economy," submitted to Facets.

Crabtree, G., M. Dresselhaus, and M. V. Buchanan, "The Hydrogen Economy," Physics Today [December 2004], pp. 39-44

Custelcean, R., M. G. Gorbunova, P. V. Bonnesen, B. P. Hay, and B. A. Moyer, "Towards Anion Recognition and Separation in Metal-Organic Frameworks," presentation at the Crystal Engineering, American Crystallographic Association National Meeting, Orlando, FL, May 28-June 2, 2005.

Custelcean, R., B. A. Moyer, J. L. Sessler, W.-S. Cho, D. Gross, G. W. Bates, S. J. Brooks, M. E. Light, and P. A. Gale, "Calix[4]pyrrole: An Old Yet New Ion-pair Receptor," submitted to Angew.

Dai, S., W. Yan, S. M. Mahurin, H. Zhu, and S. H. Overbury, "Layer-by-Layer Functionalization of Nanoporous Materials for Preparation of Highly Active and Stable Ultrasmall Gold Nanoparticles for Oxidation Catalysis," presentation at the 19th North American Catalysis Meeting, Philadelphia, PA, May 24-28, 2005.

Delmau, L. H., P. V. Bonnesen, N. L. Engle, B. A. Moyer, H. Zhou, M. A. Wegiel, and R. A. Bartsch, "Extraction of Cesium by Calix[4]arenas Functionalized with Proton-Ionizable Groups," presentation at the 227th American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Evans, M. L. R. Riciputi, D. C. Duckworth, S. Park, and D. Bostick, "Improving U and Pu Isotope Analyses by HR-MC-ICPMS," presentation at the 5th International Conference on Magnetic Sector Field ICP-MS, Omaha, NE, August 17-20, 2005.

Evans, B. R., "Key Issues in the Quest for Hydrogen Production from Biomass," presentation for the Departmental Seminar Series, Department of Chemistry, University of Akron, Akron, OH, December 2, 2004.

Evans, B. R., J. W. Lee, and H. M. O'Neill, "Photosynthesis in Polysaccharide Gels," presentation at the 27th Symposium on Biotechnology for Fuels and Chemicals, Denver, CO, May 1-4, 2005.

Gibson, J. K., R. G. Haire, J. Marcalo, M. Santos, and A. Pires de Matos, "Bonding in Actinide Complexes – Actinide Ion Chemistry in the Gas Phase," presentation at the Actinides 2005, Manchester, UK, July 4-8, 2005.

Greenbaum, E. and C. A. Sanders, "Retinal Prosthesis Microelectrodes: The Role of Materials Science Research in Electrode Performance Under Real World Operating Conditions," presentation at the Neural Interfaces Workshop, Bethesda, MD, November 15-17, 2004.

Haire, R. G., Book Chapter 12, "Einsteinium," in the book Chemistry of the Actinide and Transactinide Elements, Eds., Katz, Morss, Delstein, and Fuger, Kluwer Publishers.

Hutchens, S. A., B. Evans, and H. O'Neill, "In-Vitro Testing of a Novel Bacterial Cellulose-Hydroxyapatite Biomaterial," presentation at the Southeastern Regional Meeting of the American Chemical Society, Research Triangle Park, NC, November 10-13, 2004.

Im, H-J., S. Saengkerdsub, A. C. Stephan, M. D. Pawel, D. E. Holcomb, and S. Dai, "Transparent Solid-State Lithiated Neutron Scintillators Based on Self-Assembly of Poly(styrene-b-ethylene oxide) Block Copolymer Architectures," submitted to Advanced Materials.

Im, H-J., C. Willis, S. Saengkerdsub, R. Makote, M. D. Pawel, and S. Dai, "Scintillators for Alpha and Neutron Radiations Synthesized by Room Temperature Sol-Gel Processing," submitted to Journal of Sol-gel Science and Technology.

Kang, H-A. and B. A. Moyer, "Pseudo-Hydroxide Extraction in the Separation of Sodium Hydroxide from Aqueous Solutions Using Alkyl Phenols," submitted to Solvent Extraction and Ion Exchange.

Kertesz, V. and G. Van Berkel, "Monitoring Ionic Adducts to Elucidate Reaction Mechanisms: Reduction of Tetracyanoquinodimethane (TCNQ) and Oxidation of Triphenylamine (TPA) Investigated Using On-Line Electrochemistry/Electrospray Mass Spectrometry," submitted to Solid State Electro Chemistry.

Kidder, M. K., A. C. Buchanan, III, and P. F. Britt, "Impact of Pore Confinement on the Pyrolysis Reactivity of Phenethyl Phenyl Ether," presentation at the American Chemical Society National Meeting, San Diego, CA, March 13-17, 2005.

Lee, J. W., "A Possible Electrostatic Interpretation of Proton Localization and Delocalization in Chloroplast Bioenergetics System," presentation at the Biophysical Society Meeting, Long Beach, CA, February 12-16, 2005.

Lee, J. W., I. Lee, and E. Greenbaum, "Imaging of Nanometer Metallocatalysts Formed by Photosynthetic Deposition of Water-Soluble Transition Metal Compounds," submitted to Nano Letters.

Lewis, L. A., "Educating Forensic Scientists for the 21st Century: Instilling the Forensic Mindset," presentation at the American Academy of Forensic Sciences Workshop, New Orleans, LA, February 21-26, 2005.

Li, L., D. C. Duckworth, D. E. Goeringer, and G. J. Jackson, "Collision-Induced Dissociation Methods for Reducing Polyatomic Interferences Elemental Analysis Via Ion Trap Mass Spectrometry," presentation at 2005 Pittcon, Orlando, FL, February 27-March 4, 2005.

Lu, Y., D. C. Duckworth, G. Van Berkel, G. J. Jackson, and F. L. King, "Electrospray Mass Spectrometry of Room Temperature Ion Liquids," presentation at Pittcon 2005, Orlando, FL, February 27-March 4, 2005.

Mack, G. H. and D. R. Cole, "Geochemical Model of d18O of Pedogenic Calcite Versus Latitude and Its Application to Cretaceous Palaeoclimate," submitted to Sedimentary Geology.

Minton, M. A., Q. Ma, D. F. Cox, and D. R. Mullins," Reactions of Vinyl Chloride on a-Cr2O3 (10 1 2)," presentation at the 19th North American Catalysis Meeting, Philadelphia, PA, May 24-28, 2005.

Moyer, B. A., J. F. Birdwell, Jr., P. V. Bonnesen, and L. H. Delmau, "Use of Macrocycles in Nuclear-Waste Cleanup: A Real-World Application of a Calixcrown in Cesium Separation Technology," submitted as a book chapter in Macrocyclic Chemistry – Current Trends and Future, Ed., Karsteen Gloe, Kluwer Academic Publishers.

Mullins, D. R. and J. Zhou, "Modification of Reaction Properties on Both the Overlayer and the Support: Rh Supported on CeOx Thin Films," presentation at the 229th American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Mullins, D. R. and T. McDonald, "Desulfurizatin of H2S and CH3SH on Thin-Film CeOx(111)," presentation at the 19th Meeting of the North American Catalysis Society, Philadelphia, PA, May 22-27, 2005.

O'Neill, H. and E. Greenbaum, "Spectroscopy and Photochemistry of Spinach Photosystem I Entrapped and Stabilized in a Hybrid Organosilicate Glass," submitted to Journal of the American Chemical Society.

O'Neill, H., B. R. Evans, I. Lee, and E. Greenbaum, "Photovoltaic Properties of Spinach Photosystem I Reaction Centers in Solution," presentation at the International Congress of Nanotechnology, San Francisco, CA, November 7-11, 2004 and submitted to Proceedings of the International Congress of Nanotechnology 2004.

Overbury, S. H., D. R. Mullins, V. Schwarz, W. Yan, and S. Dai, "Size and Activity Correlation of Au Catalysts by in situ EXAFS," presentation at the 19th North American Catalysis Meeting, Philadelphia, PA, May 24-28, 2005.

Overbury, S. H., W. Yan, B. Chen, and S. Dai, "Stability and Activity of Au Catalysts Supported on Functionalized Oxide Supports," presentation at the American Chemical Society, San Diego, CA, March 13-17, 2005.

Pan, C. and R. L. Hettich, "Multipole-Storage Assisted Dissociation (MSAD) for the Characterization of Large Proteins and Protein Mixtures by ESI-FTICR-MS," submitted to Analytical Chemistry.

Santos, M., J. Marcalo, A. Pires de Matos, J. K. Gibson, and R. G. Haire, "Gas-Phase Reactions of Proactinium Cations with Small Alkanes and Alkenes," presentation at the Actinides 2005, Manchester, UK, July 4-8, 2005.

Schwartz, V., X. Wu, A. Kercher, S. H. Overbury, and T. R. Armstrong, "Catalytic Properties of Activated Carbons for the Selective Oxidation of Hydrogen Sulfide," presentation at the 19th North American Catalysis Meeting, Philadelphia, PA, May 24-28, 2005.

Schwartz, V., D. R. Mullins, W. Yan, B. Chen, S. Dai, and S. H. Overbury, "XAS Study of Au Supported on TiO2: Influence of Oxidation State and Particle Size on the Catalytic Activity," NSLS-BNL Internal Activity Report.

Sharp, J. S., J. Guo, T. Uchiki, Y. Xu, C. Dealwis, and R. L. Hettich, "Photochemical Surface Mapping of C14S-Sml1p for Constrained Computational Modeling of Protein Structure," submitted to Analytical Biochemistry.

Shaw, R. W. and C. S. Feigerie, "Diamond Stripping Foils for the Spallation Neutron Source (SNS)," presentation at the H-Transport and Injection Workshop, FermiLab, Batavia, IL, December 9-10, 2004.

Son, C. D., H. Sargsyan, G. B. Hurst, F. Naider, and J. M. Becker, "Analysis of Ligand-Receptor Cross-linked Fragments by Mass Spectrometry," submitted to Journal of Peptide Research.

Strader, M. B., N. C. Verberkmoes, D. Tabb, H. M. Connelly, B. D. Bruce, D. A. Pelletier, B. H. Davison, R. L. Hettich, F. W. Larimer, and G. B. Hurst, "Characterization of the 70S Ribosome from Rhodopseudomonas palustris using an Integrated "Top-Down" and "Bottom-Up" Mass Spectrometric Approach," presentation at the 18th Symposium of the Protein Society, San Diego, CA, August 14-18, 2004.

Tabb, D. L., C. Narasimhan, M. B. Strader, and R. L. Hettich, "DBDigger: Reorganized Proteomic Database Identification Improves Flexibility and Speed," submitted to Analytical Chemistry.

Van Berkel, G. J., M. J. Ford, and M. A. Deibel, "This Layer Chromatography and Mass Spectrometry Coupled Using Desorption Electrospray Ionization," submitted to Analytical Chemistry.

VerBerkmoes, N. C., P. Lankford, M. B. Strader, D. L. Tabb, L. Hauser, D. Pelletier, G. B. Hurst, R. F. Tabita, R. L. Hettich, and F. W. Larimer, "Baseline Proteome Analysis of the Anoxygenic Phototrophic Bacterium Rhodopseudomonas pallustris under all Major Metabolic States," presentation at the 18th Annual Symposium Protein Structure, Function and Disease, North Carolina, September 28-October 2, 2004.

VerBerkmoes, N. C., H. Connelly, C. Pan, and R. L. Hettich, "Mass Spectrometric Approaches for Characterizing Bacterial Proteomes," submitted to Expert Review of Proteomics.

Xu, J., A. P. Mills, Jr., and C. Case, "Sensitive Quantitative Probe of the Open Area of Diffusion Barriers on Porous Dielectric Films Using Escaping Positronium," submitted to Appl. Phys. Lett.

Yan, W., B. Chen, S. M. Mahurin, E. W. Hagaman, S. H. Overbury, and S. Dai, "Preparation of Ultra-Small Gold Nanoparticles Deposited on surface-Modified Silica for Catalytic CO Oxidation," presentation at the 229th American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Yan, W., Z. Zhang, J. Xu, S. M. Mahurin, and S. Dai, "Doping of Rare Earth Elements into Microporous and Mesoporous Aluminophosphate," presentation at the Nanoporous Materials, IV (Proceedings of the 4th International Symposium on Nanoporous Materials), Niagra Falls, Ontario, Canada, June 8-11, 2005.

Zhu, H., C. Liang, S. Dai, and S. H. Overbury, "Synthesis of Mesostructured CeO2-based Materials by Assembly of Nanoparticles," presentation at the 229th American Chemical Society Meeting, San Diego, CA, March 13-17, 2005.

Ziemniak, S. E., D. A. Palmer, P. Benezeth, and L. M. Anovitz, "Solubility of Litharge (a-PbO) in Alkaline Media at Elevated Temperatures," submitted to Journal of Solution Chemistry.

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July, August and September 2004

Annis, B. K., C. M. Brown, and D. J. Lohse, "Coherent Inelastic Neutron Scattering from Polyisobutylene in the Vicinity of the Glass Transition," submitted to Physical Review

E. Assefa, Z., T. Yaita, R. G. Haire, and S. Tachimori, "Sensitized Emissions in Actinide Complexes of Benzimidazole Based Ligands: Evidence for Efficient Intramolecular Energy Transfers," presentation at the American Chemical Society Southwest Regional Meeting 2004, Fort Worth, TX, September 29-October 2, 2004.

Baek, S-O. and R. A. Jenkins, "Characterization of Trace Organic Compounds Associated with Aged and Diluted Sidestream Tobacco Smoke in a Controlled Atmosphere – Volatile Organic Compounds and Polycyclic Aromatic Hydrocarbons," submitted to Atmospheric Environment.

Bhuiyan, M. S., M. Paranthaman, D. B. Beach, L. Heatherly, A. Goyal, E. a. Payzant, and K. Salama, "Epitaxial Growth of Eu3NbO7 Buffer Layers on Biaxially Textured Ni-W Substrates," presentation at the 106th Annual Meeting & Exposition of the American Ceramic Society, Indianapolis, IN, April 18-21, 2004.

Bhuiyan, M. S., Paranthaman, M., Sathyamurthy, S., Goyal, A., and Salama, K., "Growth of Rare Earth Niobate Based Pyrochlores on Textured Ni-W Substrates with Ionic Radii Dependency," submitted to Journal of Material Research.

Bhuiyan, M. S., M. Paranthaman, S. Kang, D. F. Lee, and K. Salama, "Growth of Epitaxial Y2O3 Buffer Layers on Biaxially Textured Ni-W Substrates for YBCO Coated Conductors by MOD Approach," submitted to Physica C.

Britt, P. F., A. C. Buchanan, III, and R. A. Jenkins, "Determination of the Precursors to Polycyclic Aromatic Hydrocarbons in Mainstream Smoke by Gas Chromatography-Combustion-Isotope Ratio Mass Spectrometry," presentation at the 6th PMUSA Symposium on Fundamental Science, Richmond, VA, October 26-28, 2004.

Brown, G. M., G. Goretzki, V. Boiadjiev, T. Thundat, and L. Pinnaduwage, "General Method for the Preparation of Very Stable, Self-Assembled Monolayers on the Surface of Gold Caoted Microcantilevers for Application to Chemical Sensing," presentation at the Detector/Sensor Research and Technology for Homeland and National Security: Chemical, Biological, Nuclear, and Radiological Weapons, and Toxic Industrial Chemicals Conference, Gatlinburg, TN, September 14-16, 2004.

Buchanan, A. C., III, M. K. Kidder, and P. F. Britt, "Molecular Orientation Effects in a Surface-Confined, Free-Radical Reaction," submitted to Journal of Physical Chemistry B.

Chialvo, A. A. and J. M. Simonson, "Detection of Ion Pair Formation in Structural Data from Neutron Diffraction with Isotopic Substitution. Proof of Principles via Molecular Simulation," submitted to Journal of Chemical Physics.

Cole, D. R., P. B. Larsen, L. R. Riciputi, and C. I. More, "Oxygen Isotope Zoning Profiles in Hydrothermally Altered Feldspars: Estimating the Duration of Water-Rock Interaction," submitted to Geology.

Cole, D. R., M. S. Gruszkiewicz, J. M. Simonson, A. A. Chialvo, Y. B. Melnichenko, G. D. Wignall, G. W. Lunn, J. S. Lin, B. Gu, K. L. More, T. D. Burchell, A. Striolo, Y. Leng, P. T. Cummings, K. E. Gubbins, W. T. Cooper, M. Schilling, and H. Frielinghaus, "Influence of Nanoscale Porosity on Fluid Behavior," submitted as a book chapter in Water-Rock Interaction, WRI-11, Eds., D. Wanty and R. Seal, A. A. Balkem Publishers.

Cole, D. R., J. Horita, V. B. Polyakov, J. W. Valley, and M. J. Spicuzza, "An Experimental and Theoretical Determination of Oxygen Isotope Fractionation in the System Magnetite-H2O from 300 to 800ºC," Geochimica et Cosmochimica Acta 68(17) (2004) 3569-3569.

Custelcean, R., M. G. Gorbunova, and P. V. Bonnesen, "Steric Control over Hydrogen Bonding in Crystalline Organic Solids: A Structural Study of N,N'-Dialkylthioureas," submitted to Chemistry – A European Journal.

Dabestani, R., P. F. Britt, and A. C. Buchanan, III, "Pyrolysis of Aromatic Carboxylic Acid Salts" Does Decarboxylation Play a Role in Cross-Linking Reactions?," submitted to Energy & Fuels.

Dai, S., "Synthesis of One dimensional Materials: Interfacially Driven chemistry Approach," presentation at the Detector/Sensor Research and Technology for Homeland and National Security Conference, Boston, MA, November 29-December 3, 2004.

Dai, S., "Advanced Materials for Detection of Neutrons," presentation at the Detector/Sensor Research and Technology for Homeland and National Security Conference, Gatlinburg, TN, September 14-16, 2004.

Delmau, L. H., P. V. Bonnesen, A. W. Herlinger, and R. Chiarizia, "Aggregation Behavior of Solvent Modifiers for the Extraction of Cesium from Caustic Media," submitted to Solvent Extraction and Ion Exchange.

Evans, B. R. and H. M. O'Neill, "Effect of Surface Attachment on Synthesis of Bacterial Cellulose," presentation at the 26th Symposium on Biotechnology for Fuels and Chemicals, Chattanooga, TN, May 9-12, 2004.

Evans, B. R., H. M. O'Neill, S. A. Hutchens, B. D. Bruce, and E. Greenbaum, "Molecular Wiring for Enhanced Photocatalytic Hydrogen Evolution," presentation at the International Congress of Nanotechnology and Nano World Expo, Oakland, CA, November 7-11, 2004.

Gibson, J. K. and R. G. Haire, "Activation of Pentamethylcyclopentadiene by Bk+, Cf+, and Es+ Ions in the Gas Phase: Probing Electronic Structures of Transcurium Actinides," submitted to Organometallics.

Gibson, J. K., R. G. Haire, J. Marcalo, M. Santos, A. Pires de Matos, and J. P. Leal, "Determination of the Ionization Energy of NpO2 and Comparative Ionization Energies of Actinide Oxides," submitted to Journal of Nuclear Materials.

Gibson, J. K., "Gas-Phase Actinide Ion Chemistry – Reaction Kinetics and Molecular Thermochemistry," seminar presented for the Chemistry Department of Emory University, Atlanta, GA, November 15, 2004.

Greenbaum, E., T. Kuritz, I. Lee, Owens, E. T., M. Humayun, "Biomolecular Photovoltaics and Artificial Sight," presentation at the Southeastern Section of the American Physical Society Meeting, Oak Ridge, TN, November 11-13, 2004.

Greenbaum, E., M. Rodriguez, Jr., and D. E. Hill, "WaterSentry™: A Practical Biosensor System for Primary-Source Water Protection," presentation at the Detector/Sensor Research and Technology for Homeland and National Security: Chemical, Biological, Nuclear and Radiological Weapons, and Toxic Industrial Chemicals Conference, Gatlinburg, TN, September 14-16, 2004.

Greenbaum, E. and M. Rodriguez, Jr., "WaterSentry™: A Continuous Real-Time Water Monitoring Biosensor System," presentation at the USSOCOM Chemical, Biological, Radiological, and Nuclear Conference & Exhibition, Tampa, FL, December 13-16, 2004.

Greenbaum, E. and M. Rodriguez, Jr., "AquaSentinel: A Continuous Monitoring Biosensor System for Primary-Source Drinking Water Protection," presentation at the 20th National Environmental Monitoring Conference, Washington, DC, July 19-22, 2004.

Greenbaum, E. and M. Rodriguez, Jr., "AquaSentinel Technology and WaterSentry™ System: New Tools for Continuous Real-Time Water Monitoring," presentation at the AWWA Annual Conference and Expo, San Francisco, CA, June 12-16, 2004.

Griest, W. H. and S. A. Lammert, "The Development of the Block II Chemical Biological Mass Spectrometer," submitted as a book chapter in Identification of Microorganisms by Mass Spectrometry, Eds., C. L. Wilkins and J. O. Lab, John Wiley & Son.

Griffith, W. L., A. L. Compere, and C. F. Leitten, Jr., "Lignin-Based Carbon Fiber for Transportation Applications, presentation at the 36th International SAMPE Technical Conference, San Diego, CA, November 15-18, 2004.

Gruszkiewicz, M. S., D. A. Palmer, and J. M. Simonson, "Vapor-Liquid Partitioning of Phosphoric Acid and Sodium Phosphates," presentation at the 59th Calorimetry Conference (CalCon 2004), Santa Fe, NM, June 27-July 1, 2004.

Gruszkiewicz, M. S. and J. M. Simonson, "Vapor Pressures and Isopiestic Molalities of Concentrated CaCl2(aq), CaBr2(aq), and NaCl(aq) to 250ºC," submitted to Journal of Chemical Thermodynamics.

Hagaman, E. W., M. K. Kidder, and A. C. Buchanan, III, "A Spin-Lattice Relaxation Time Study of Organic Thin Films on Silica Particles," presentation at the Rocky Mountain Conference on Analytical Chemistry: NMR Symposium, Denver, CO, August 2-6, 2004.

Harris, W. A., P.T.A. Reilly, W. B. Whitten, and J. M. Ramsey, "Transportable Real-Time Single-Particle Ion Trap Mass Spectrometer," submitted to Rev. Sci. Instruments.

Hart, K. J., M. B. Wise, W. H. Griest, and R. R. Smith, "Detection and Identification of Toxic Industrial Chemicals Using the CBMS II Military Reconnaissance Sensor," presentation at the Detector/Sensor Research and Technology for Homeland and National Security: Chemical, Biological, Nuclear, and Radiological Weapons, and Toxic Industrial Chemicals Conference, Gatlinburg, TN, September 14-16, 2004.

Hong, K., M. Pyda, and J. W. Mays, "Thermal Properties of 1,3-Cyclohexadiene Polymers," presentation at the 32nd Annual Conference of the North American Thermal Analysis Society, Williamsburg, VA, October 4-6, 2004.

Hoydic, C. J., "Extraction Using Dioctylguanidinium," progress report for Pre-Service Teacher (PST) Program at ORISE.

Hutchens, S. A., B. R. Evans, and J. M. O'Neill, "In-Vitro Testing of a Novel Bacterial Cellulose-Hydroxyapatite Biomaterial," presentation at the Southeastern Regional Meeting of the American Chemical Society, Research Triangle Park, North Carolina, November 10-13, 2004.

Li, Z., G. D. Del Cul, W. Yan, C. Liang, and S. Dai, "Fluorinated Carbon with Ordered Mesoporous Structure," submitted to Journal of the American Chemical Society.

Luo, H. and S. Dai, "A New Strategy Toward Synthesis of Room-Temperature Ionic Liquids Based on Complexation Reactions of Cations," presentation at the Electrochemical Society, Inc. Conference, Honolulu, Hawaii, October 3-8, 2004.

Mahurin, S. M., L. bao, and S. Dai, "Formation of Metal-oxide Monolayers on Silver or Gold SERS Substrates for Enhanced Stability," presentation at the American Chemical Society Meeting, Philadelphia, PA, August 21-26, 2004.

Mahurin, S. M., W. Yan, B. Chen, S. Dai, and S. H. Overbury, "Layer-by-Layer Modification of Mesoporous Silica Supprots for the Assembly of Catalytically Active Gold Nanoparticles," presentation at the 2004 Annual Southwestern Catalysis Society National Meeting, Asheville, NC, September 26-27, 2004.

Min, M., J. Chen, G. Wei, and M. Fayek, "Mineral Paragenesis and Textures Associated with Sandstone-Hosted Roll-Front Uranium Deposits, NW China," submitted to ORE Geology Review.

Min, M., C. Fang, J. Chen, and M. Fayek, "Petrography and Genetic History of Coffinite and Uranite from the Liueryiqi Granite-Hosted Uranium Deposit, SW China," submitter to ORE Geology Review.

Min, M., H. Xu, J. Chen, and M. Fayek, "Evidence of Uranium Biomineralization in Sandstone-Hosted Roll-Front Uranium Deposits, Northwestern China," submitted to ORE Geology Review.

Moyer, B. A., P. V. Bonnesen, J. C. Bryan, R. Custelcean, L. H. Delmau, N. L. Engle, H-A. Kang, T. J. Keever, L. Maya, A. P. Marchand, S. Gadthula, V. K. Gore, Z. Huang, R. Sivappa, P. K. Turunahari, T. G. Levitskaia, and G. J. Lumetta, "Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts," submitted to FY 2004 Annual Report, Environmental Management Science Program, Project #81935.

Moyer, B. A., E. Bazelaire, P. V. Bonnesen, J. C. Bryan, L. H. Delmau, N. L. Engle, M. G. Gorbunova, T. J. Keever, T. G. Levitskaia, R. A. Sachleben, B. A. Tomkins, and R. A. Bartsch, "New Generation Extractants for Cesium Separation from High-Level Waste: From Fundamental Concepts to Site Implementation," FY 2004 Annual Report, Environmental Management Science Program, Project #73803.

Mullins, D., S. J. Overbury, J. Xu, M. Robbins, T. McDoanld, S. Mahurin, and J. Zhou, "Reactions on Model Cerium Oxide Catalysts," presentation at the 2004 Annual Symposium Catalysis Society National Meeting, Asheville, NC, September 26-27, 2004.

Palmer, D. A. and P. Benezeth, "Solubility of Copper Oxides in Water and Steam," presentation at the 14th International Conference on the Properties of Water and Steam, Kyoto, Japan, August 29-September 3, 2004.

Palmer, D. A., P. Benezeth, and D. J. Wesolowski, "Solubility of Nickel Oxide and Hydroxide in Water," presentation at the 14th International Conference on the Properties of Water and Steam, Kyoto, Japan, August 29-September 3, 2004.

Poutsma, M. L., "Comparison of Literature Models for Volatile Product Formation from the Pyrolysis of Polyisobutylene at Mild Conditions: Data Summary, Free-Radical Mechanistic Considerations, and Simulation of Initial Product-Forming Pathways," submitted to Macromolecules.

Powers, A., "Determination of Preferred Cesium Complexation Site in an Asymmetrical Calix[4]arene Bis-Crown-6," report for Science Undergraduate Laboratory Internship.

Rodgers, R. P., P.T.A. Reilly, W. B. Whitten, and J. M. Ramsey, "Real-Time Observation of Metastable Polymeric Species Formed from Precursor Soot," submitted to Chemical Physics Letters.

Rondinione, A. J., D. J. Wesolowski, D. B. Beach, and S. Allison, "Two-Step Hydrothermal Synthesis of Yttrium Aluminate Nanoparticles," submitted to Nature Materials or Nanoletters.

Saunders, J. A., S. Mohammad, N. E. Korte, M.-K. Lee, M. Fayek, D. Castle, and M. O. Barnett, "Groundwater Geochemistry, Microbiology and Mineralogy in Two Arsenic-Bearing Holocene Alluvial Aquifers from the USA," submitted as a book chapter in Special Publication of ACS on As, American Chemical Society.

Schwartz, V. and S. H. Overbury, "Catalysis by Nanoscale Materials – The CNMS Research Center," presentation at the 2004 Annual Symposium Catalysis Society National Meeting, Asheville, NC, September 26-27, 2004.

Sloop, F. V., Jr., G. M. Brown, L. Maya, and Z. W. Bell, "Silicone Rubber-Based Scintillators for Neutron Detection," presentation at the Detector/Sensor Research & Technology for Homeland & National Security: Chemical, Biological, Nuclear and Radiological Weapons, and Toxic Chemicals, Gatlinburg, TN, September 14-16, 2004.

Srijanto, B., I. Lee, H. O'Neill, H. Kincaid, G. K. Jennings, K. Helton, and E. Greenbaum, "Lateral Force Microscopy of Photosystem I Reaction Centers on Patterned Self-Assembled Monolayers," presentation at the American Physical Society Meeting of the Southeastern Section, Oak Ridge, TN, November 11-13, 2004.

Sykora, R. E., Z. Assefa, R. G. Haire, and T. E. Albrecht-Schmitt, "Hydrothermal Synthesis, Structure, Raman Spectroscopy, and Self-Irradiation Studies of 248Cm(IO3)3," submitted to Journal of Solid State Chemistry.

Todd, P. J., J. M. McMahon, C. A. McCandlish, Jr., "Secondary Ion Images of the Developing Rat Brain," submitted to Journal of American Society for Mass Spectrometry.

Vanberkel, G. J., V. Kertesz, M. J. Ford, and M. C. Granger, "Efficient Analyte Oxidation in an Electrospray Ion Source Using a Porous Flow-Through Electrode Emitter," submitted to Journal of the American Society of Mass Spectrometry.

VerBerkmoes, N., H. Connelly, C. Pan, and R. Hettich, "Mass Spectrometric Approaches for Characterizing Bacterial Proteomes," submitted to Expert Review of Proteomics.

Wesolowski, D. J., "Comment on 'Solubility of the Assemblage Albite+K-feldspar+andalusite+quartz in Supercritical Aqueous Chloride Solutions at 650ºC and 2 kbar' by T. M. Pak et al., Chemical Geology, Vol. 200, pp. 377-393, submitted to Chemical Geology.

Whitten, W. B., P.T.A. Reilly, G. Verbeck, and J. Moxom, "Development of a Hand-Portable Mass Spectrometer for Homeland Security and Nonproliferation/Safeguards Applications," presentation at the Detector/Sensor Research and Technology for Homeland national Security National Mtg., Gatlinburg, TN, September 14-16, 2004.

Xu, J., W. B. Whitten, J. M. Ramsey, and G. F. Verbeck, "Study of Sample Interference in Single-Pulse Ionization Miniature IMS," presentation at the 13th International Conference on Ion Mobility Spectrometry, Gatlinburg, TN, July 25-29, 2004.

Yan, W., E. W. Hagaman, and S. Dai, "Functionalization of Aluminophosphate AlPO4H1 (VPI-5) with Phenylphosphonic Acid," submitted to Chemistry of Materials.

Yan, W., B. Chen, S. M. Mahurin, S. Dai, and S. H. Overbury, "Preparation and Catalysis of Gold Nanoparticles Deposited on Nanosized Titania Particles," presentation at the 2004 Annual Symposium Catalysis Society National Meeting, Asheville, NC, September 26-27, 2004.

Yan, W., S. Dai, and S. H. Overbury, "Gold Catalysts Supported on Nanostructured Materials: Support Effects," submitted to Nanotechnology in Catalysis.

Zhu, H., S. Dai, and S. H. Overbury, "Synthesis of Ordered Mixed Titania and Silica Mesostructured Monoliths for Gold Catalysts," presentation at the 2004 Annual Symposium Catalysis Society National Meeting, Asheville, NC, September 26-27, 2004.

Zuojiang, L. and S. Dai, "Modification of Porous Carbons for Liquid Chromatography Separations Using a Solvent Free Technique," presentation at the Pittcon 2005, Orlando, FL, February 27-March 4, 2004.

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April, May and June 2004

Androsch, R. and B. Wunderlich, "Specific Reversible Melting of Polyethylene," submitted to Journal of Polymer Science: Part B: Polymer Physics V41, 2157-2173 (2003).

Anovitz, L. M., J. M. Elam, L. R. Riciputi, and D. R. Cole, "Isothermal Time-Series Determination of the Rate of Diffusion of Water in Pachuca Obsidian," submitted to Archaeometry.

Arnold, T., J. Z. Larese, R. J. Hinde, and L. Frazier, "Neutron and Thermodynamic Investigations of H2 on MgO Surfaces," presentation at the American Physical Society, Montreal, Canada, March 2004.

Assefa, Z., R. G. Haire, T. Yaita, and S. Tachimori, "Intramolecular Energy Transfer in Actinide Complexes of 6-methyl 2-(2-pyridyl)-benzimidazole (biz): Comparison of Sensitization in Cm(III) vs Tb(III)," submitted to Journal of Solid State Chemistry.

Badyal, Y. S., A. C. Barnes, G. J. Buello, and J. M. Simonson, "Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution II: Insights into Longer-Range Order from Neutron diffraction Isotope Substitution," submitted to Journal of Physical Chemistry B.

Bownman-James, K., G. S. Wilson, and B. A. Moyer, "Supramolecular Chemistry of Selective Anion Recognition for Anions of Environmental Relevance," Annual Progress Report for EMSP Project #74019.

Britt, P. F., A. C. Buchanan, III. and C. V. Owens, Jr., "Mechanistic Investigation into the Formation of Polycyclic Aromatic Hydrocarbons from the Pyrolysis of Terpeenes," presentation at the ACS Meeting, Philadelphia, PA, August 22-26, 2004.

Brown, G. M., F. Tian, J. Pei, D. L. Hedden, and T. Thundat, "Detection of Copper with Potentiostatically Controlled Microcantilever Sensors," presentation at the 206th Electrochemical Society Meeting, Honolulu, HA, October 3-8, 2004.

Burns, T. and J. Z. Larese, "Adsorption Isotherm Studies of Methyl Bromide on MgO," presentation at the American Physical Society, Montreal, Canada, March 2004.

Chen, B., W. Yan, S. M. Mahurin, S. Dai, and S. H. Overbury, "Selective CO Oxidation in H2 Rich Stream over Au/AlPO4-H1," presentation at the Philadelphia National Meeting and Exposition, Philadelphia, PA, August 22-26, 2004.

Chialvo, A. A. and J. M. Simonson, "Deconvolution of Ion Pair Formation in Structural Data from Neutron Diffraction with Isotopic Substitution. Proof of Principles via Molecular Simulation," presentation at the 2004 Annual AICHE Meeting, Austin, TX, November 7-12, 2004.

Chialvo, A. A. and J. M. Simonson, "Molecular-based Study of the Solvation Behavior of Short-chain Polystyrene Sulfonate in Aqueous Electrolyte Solutions," presentation at the 2004 Annual AICHE Meeting, Austin, TX, November 7-12, 2004.

Cook, R., P. Yaron, T. Arnold, and J. Z. Larese, "Neutron and Thermodynamic Investigations of ethane on MgO Surfaces," presentation at the American Physical Society, Montreal, Canada, March 2004.

Chu, X., H. Ohmoto, and D. R. Cole, "Kinetics of Carbon Isotope Exchange Involving Intra- and Intermolecular Reactions in the System CO2-CH4-acetic Acid at 250C," submitted to Chemical Geology.

Chu, X., H. Ohmoto, and D. R. Cole, "Kinetics of Sulfur Isotope Exchange Between Aqueous Sulfide and Thiosulfate Involving Intra- and Intermolecular Reactions at Hydrothermal Conditions," submitted to Chemical Geology.

Delmau, L. H., D. T. Hobbs, and K. N. Raymond, "Combined Extraction of Cesium, Strontium, and Actinides from Alkaline Media: An Extension of the caustic-Side Solvent Extraction (CSSX) Process Technology," Annual Progress Report for EMSP Project #81936.

Delmau, L. H., P. V. Bonnesen, N. L. Engle, T. J. Haverlock, F. C. Sloop, K. N. Raymond, and J. Xu, "Demonstration of the Feasibility of the Combined Extraction of Cesium, Strontium and Actinides from Caustic Media," presentation at the 28th Actinide Separations Conference, Asheville, NC, June 8-11, 2004.

Delmau, L. H., T. J. Lefranc, P. V. Bonnesen, J. C. Bryan, D. J. Presley, and B. A. Moyer, "Fundamental Studies Regarding Synergism Between Calix[4]arene-bis(tert-octylbenzo-crown-6) and Alcohol Modifiers in the Solvent Extraction of Cesium Nitrate," submitted to Solvent Extraction & Ion Exchange.

Dubreuil, F., P. Fontaine, M. Alba, J. Daillant, J. W. Mays, G. Zalczer, and P. Guenoun, "Buckling of Charged Copolymer Monolayers at the Air-Water Interface," submitted to Europhysics Letters.

Evans, B. R., H. M. O'Neill, S. A. Hutchens, B. D. Bruce, and E. Greenbaum, "Enhanced Photocatalytic Hydrogen Evolution by Covalent Attachment of Plastocyanin to Photosystem I Before Platinization," submitted to NanoLetters.

Evans, B. R. and H. M. O'Neill, "Effect of Surface Attachment on Synthesis of Bacterial Cellulose," presentation at the 26th Symposium on Biotechnology for Fuels and Chemicals, Chattanooga, TN, May 9-12, 2004.

Foote, R. S., J. Khandurina, S. C. Jacobson, and J. M. Ramsey, "Preconcentration of Proteins on Microchips Using Porous Silica Membranes," submitted to Analytical Chemistry.

Formolo, M. J., T. W. Lyons, C. Zhang, C. Kelley, R. Sassen, J. Horita, and D. R. Cole, "Quantifying Carbon Sources in the Formation of Authigenic Carbonates at Gas Hydrate Sites in the Gulf of Mexico," Chemical Geology 205 (2004) 253-264.

Gibson, J. K., R. G. Haire, M. Santos, J. Marcalo, and A. P. de Matos, " Oxidation Studies of Dipositive Actinide Ions, An2+ (An = Th, U, Np, Pu, Am) in the Gas Phase: Synthesis and Characterization of the Isolated Uranyl, Neptunyl and Plutonyl Ions, UO2(2+)(g), NpO2(2+)(g) and PuO2(2+)(g)," submitted to Journal of the American Chemical Society.

Goretzki, G., P. V. Bonnesen, G. M. Brown, R. Custelcean, and R. Dabestani, "Metal Cation Sensors Based Intramolecular Excimer and Exciplex Formation," presentation at the 13th International Symposium on Supramolecular Chemistry, Notre Dame, Indiana, July 25-30, 2004.

Goyal, A., M. Paranthaman, and U. Schoop, "High-Jc YBCO Superconductors on Rolling-Assisted Biaxially-Textured-Substrates (RABiTSTM)," submitted to MRS Bulletin - August 2004 (fall edition).

Gruszkiewicz, M. S. and A. Bursik, "Degassed Conductivity - Comments on an Interesting and Reasonable Plant Cycle Chemistry Monitoring Technique. Part I: Degassing of Low-Molecular-Weight Organic Acids in Technical Degassed Cation Conductivity Monitors," submitted to Power Plant Chemistry.

Gruszkiewicz, M. S. and A. Bursik, "Degassed Conductivity - Comments on an Interesting and Reasonable Plant Cycle Chemistry Monitoring Technique. Part 2: Degassing of Carbon Dioxide in Technical Degassed Cation Conductivity Monitors and Temperature Conversion of the Cation Conductivity Measured at Nearly 100C to 25C," submitted to Power Plant Chemistry.

Gu, B., W. Dong, G. M. Brown, and D. R. Cole, "Complete Degradation of Perchlorate in Ferric Chloride and Hydrochloric Acid Under Controlled Temperature and Pressure," Environ. Sci. Technol. 37 (2003) 2291-2295.

Gu, B., W. Dong, G. M. Brown, and D. R. Cole, "Reply to Comment on 'Complete Degradation of Perchlorate in Ferric Chloride and Hydrochloric Acid Under Controlled Temperature and Pressure'," Envion. Sci. Technol. 38 (2004) 1919-1920.

Harris, W., P. Reilly, W. Whitten, and J. M. Ramsey, "The Detection and Characterization of Bio-aerosols in an Ion Trap Mass Spectrometer by Matrix-assisted Laser Desorption/ionization," presentation at the AAAR 2004, Atlanta, GA, October 4-8, 2004.

Hong, K. P. F. Britt, and J. W. Mays, "Polyelectrolytes Based on Sulfonated 1,3-Cyclohexadiene Block Copolymers," presentation at the 228th ACS Meeting, Philadelphia, PA, August 22-26, 2004.

Hong, K., P. F. Britt, D. Holley, J. Yang, and J. W. Mays, "New Model Polyelectrolytes," presentation at the Polyelectrolytes 2004, Amherst, MA, June 15-18, 2004.

Hong, K., P. F. Britt, and J. W. Mays, "Synthesis and Characterization of Block Copolymers Containing Sulfonated 1,3-Cyclohexadiene Blocks," presentation at the 5th International Symposium on Polyelectrolytes, Amherst, MA, June 15-18, 2004.

Hutchens, S. A., H. M. O'Neill, B. R. Evans, J. Y. Howe, and M. Z. Martin, "Biopolymer-Patterned Nanoparticle Deposition," presentation at the 26th Symposium on Biotechnology for Fuels and Chemicals, Chattanooga, TN, May 9-12, 2004. Journal of Polymer Science: Part B: Polymer Physics, V41, 2039-2051 (2003).

Kumar, P., A. Mehta, M. D. Dadmun, J. Zheng, L. Peyser, A. P. Bartko, R. M. Dickson, T. Thundat, B. G. Sumpter, D. W. Noid, and M. D. Barnes, "Narrow-bandwidth Spontaneous Luminescence from Oriented Semiconducting Polymer Nanostructures," submitted to J. Phys. Chem. B.

Labotka, T. C., D. R. Cole, L. R. Riciputi, and M. Fayek, "Diffusion of C and O in Calcite from 0.1 to 200 MPa," submitted to American Mineralogist.

Labotka, T. C., D. R. Cole, M. Fayek, L. R. Riciputi, and F. J. Stadermann, "Coupled Cation and Oxygen Isotope Exchange between Alkali Feldspar and Aqueous Chloride Solution," submitted to American Mineralogist.

Larese, J. Z., R. Cook, T. Arnold, D. Martin, M. Adams, and P. Stimac, "Overcoming the Totational Barrier, Inelastic Neutron Studies of CH4 on MgO," presentation at the American Physical Society, Montreal, Canada, March 2004.

Lee, J. W., D. Day, R. J. Evans, and R. Li, "Ammonia Carbonation and Biomass Pyrolysis for Carbon Management," presentation at the Energy with Agricultural Carbon Utilization Symposium - Sustainable Alternatives to Sequestration Meeting, Athens, GA, June 10-11, 2004.

Lee, J. W., D. Xu, B. R. Evans, and J. Zhou, "Development of Efficient and Robust Algal H2-Production System," presentation at the DOE Office of Hydrogen, Fuel Cells, and Infrastructure Technologies Annual Program Review, Philadelphia, PA, May 24-27, 2004.

Liu, M., P. F. Britt, and J. Mays, "Synthesis of Amphiphilic Miktoarm Star Copolymer A2B2 of Polystyrene and Poly (Ethylene Oxide)," presentation at the ACS Meeting, Philadelphia, PA, August 24-26, 2004.

Lupini, A. R., A. Franceschetti, B. Chen, W. Yan, D. R. Mullins, V. Schwartz, S. T. Pantelides, S. Dai, S. J. Pennycook, and S. H. Overbury, "Origin of Catalytic Activity of Gold Nanoparticles in TiO2 Substrates," submitted to Science Magazine.

Lvov, S. N., M. V. Fedkin, E. Chalkova, D. K. Jayabalan, and D. J. Wesolowski, "Surface Electrochemistry of Solid Oxide Materials for High Temperature Proton Exchange Membrane Fuel Cells," submitted to Electrochimica Acta.

Lvov, S. N., M. V. Fedkin, E. Chalkova, D. K. Jayabalan, and D. J. Wesolowski, "Surface Chemistry of Solid Oxide Materials for High Temperature Proton Exchange Membrane Fuel Cells," submitted to Electrochimica Acta

Melnichenko, Y., G. D. Wignall, D. R. Cole, H. Frielinghaus, and L. A. Bulavin, "Liquid-Gas Critical Phenomena Under Confinement: Small-Angle Neutron Scattering Studies of CO2 in Aerogel," submitted to J. Molecular Liquids.

Melnichenko, Y., G. D. Wignall, D. R. Cole, and H. Frielinghaus, "Density Fluctuations Near the Liquid-Gas Critical Point of a Confined Fluid," submitted to Physical Review E.

Moyer, B. A., P. V. Bonnesen, R. Custelcean, L. H. Delmau, M. Gorbunova, T. J. Haverlock, H-A. Kang, B. P. Hay, T. G. Levitskaia, J. L. Sessler, W-S. Cho, J. A. Shriver, K. Bowman-James, J. M. Llinares, and M. A. Hossain, "Using Coordination chemistry to Selectively Separate Anions," presentation at the American Chemical Society National Meeting (from the Template Effect to Spontaneous Intermolecular Organization. A Celebration of Daryle Busch's first 50 years of Leadership, Teaching, Research and Service), Philadelphia, PA, August 22-26, 2004.

Moyer, B. A., P. V. Bonnesen, R. Custelcean, L. H. Delmau, and B. P. Hay, "Strategies for Using Host-Guest Chemistry in the Extractive Separations of Ionic Guests," submitted to Kemija u Industriji (Croatian journal).

Mullins, D. R., M. D. Robbins, and T. S. McDonald, "Reactions of Substituted Hydrocarbons with Cerium Oxide Thin Films," presentation at the AVS 51st International Symposium, Anaheim, CA, November 14-19, 2004.

Overbury, S. H., C. Riahi-Nezhad, Z. Zhang, S. Dai, and J. Haire, "Uranium Based Catalysis," presentation at the American Nuclear Society 2004 Winter Meeting, Washington, DC, November 14-18, 2004.

Paranthaman, M. and T. Izumi, "High Performance YBa2CueO7 Coated Superconductor Wires," submitted to MRS Bulletin - August 2004 (fall edition).

Pickel, J. M. and P. F. Britt, "Effect of Substitution of the Hydrophobic Core on the Diffusion of Pyrene from Block Copolymer and Micelles," presentation at the 2004 Polymer Networks Conference, Bethesda, Maryland, August 15-19, 2004.

Pickel, J. M. and P. F. Britt, Synthesis and Properties of Polymer Micelles Formed from Substituted Polystryene-Poly(acrytlic acid) Copolymers," presentation at the American Chemical Society Meeting, Philadelphia, PA, August 22-26, 2004.

Reilly, P. T., K. C. Wright, W. B. Whitten, and J. M. Ramsey, "Real-time Measurement of the Mass and Composition of Particles," presentation at the AAAR 2004, Atlanta, GA, October 4-8, 2004.

Reilly, P. T., W. Harris, K. Wright, W. Whitten, and J. M. Ramsey, "External to the Trap Vaporization and Ionization for Real-time Quantitative Particle Analysis," presentation at the AAAR 2004, Atlanta, GA, October 4-8, 2004.

Ridley, M. K., M. L. Machesky, D. J. Wesolowski, and D. A. Palmer, "Surface Complexation of Neodymium at the Rutile-Water Interface: A Potentiometric and Modeling Study in NaCl Media to 250ºC," submitted to Geochimica et Cosmochimica Acta.

Romanek, C. S., C. L. Zhang, Y. Li, J. Horita, H. Vali, D. R. Cole, and T. J. Phelps, "Carbon and Hydrogen Isotope Fractionations Associated with Dissimilatory Iron-Reducing Bacteria," Chemical Geology 195 (2003) 5-16.

Schwartz, V., D. R. Mullins, W. Yan, H. Zhu, S. Dai, and S. H. Overbury, "X-Ray Absorption Fine Structure Characterizaiton of Au Nanocatalysts Supported on Mesoporous Silica, Titania, and Mixed Oxides," presentation at the American Chemical Society National Meeting, Philadelphia, PA, August 22-26, 2004.

Schwartz, V., X. Wu, A. Kercher, S. H. Overbury, and T. Armstrong, "Sulfur Removal in Hydrogen-Rich Gas Streams by Selective Oxidation of Hydrogen sulfide Using Activated Carbon Catalysts," presentation at the 2004 Fuel Cell Seminar, San Antonio, TX, November 1-5, 2004.

Schwartz, V., D. R. Mullins, W. Yan, B. Chen, S. Dai, and S. H. Overbury, "XAS Study of Au Supported on TiO2: Influence of Oxidation State and Particle Size on the Catalytic Activity," submitted to Journal of Physical Chemistry B.

Striolo, A., K. E. Buggins, M. S. Gruszkiewicz, D. R. Cole, J. M. Simonson, A. A. Chialvo, P. T. Cummings, T. D. Burchell, and K. L. More, "Effect of Temperature on Water Adsorption in Porous Carbons," submitted to Langmuir.

Sykora, R. E., P. Raison, and R. G. Haire, "Self-irradiation Induced Structural Changes in the Transplutonium Pyrochlores An2Zr2O7 (An = Am, Cf)," submitted to Journal of Solid State Chemistry.

Terao, K. and J. W. Mays, "On-line Measurement of Molecular Weight and Radius of Guration of Polystyrene in a Good Solvent and in a Theta Solvent Measured with a Two-Angle Light Scattering Detector," submitted to European Polymer Journal.

Tian, P. D. Uhrig, and J. W. Mays, "Role of Branching on the Structure of Polymer Brushes Formed from Comb Copolymers," submitted to Physical Review Letters.

Veith, G. M., R. E. Sykora, and N. J. Dudney, "The Preparation of Bi Nanowires from the Reaction Between Ammonia and Bi1.7V8O16," submitted to Chemistry of Materials.

Whitten, W. B., P.T.A. Reilly, and J. M. Ramsey, "High Pressure Ion Trap Mass Spectrometry," submitted to Rapid Communications.

Whitten, W. B., P.T.A. Reilly, G. F. Verbeck, J. Moxom, and J. M. Ramsey, "Development of a Hand-Portable Mass Spectrometer for Nonproliferation/Safeguards Applications," presentation at the INMM 45th Annual Meeting, Orlando, FL, July 18-22, 2004.

Yan, W. B. Chen, S. M. Mahurin, S. Dai, and S. H. Overbury, "Brookite-Supported Highly Stable Gold Catalytic System for CO Oxidation," submitted to Chemical Communications.

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January, February and March 2004

Asano, K. G., G. J. Van Berkel, S. Ramsey, and B. A. Eckenrode, "Rapid Mass Spectral Acquisition and Statistical Analysis for Determination of Scent Discriminators," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Assefa, Z., R. G. Haire, T. Yaita, and S. Tachimori, "Intra-molecular Energy Transfer and Sensitized Luminescence in Complexes of Actinide Ions with Polydentate Nitrogen Ligating Hetero-cyclic Ligands," presentation at the 227th American Chemical Society National Meeting, Anaheim, CA, March 28-April 1, 2004.

Baig, C., B. J. Edwards, D. J. Keffer, and H. D. Cochran, "A Proper Approach for Nonequilibrium Molecular Dynamics Simulations of Planar Extensional Flow," submitted to Journal of Chemical Physics.

Benezeth, P., D. A. Palmer, and D. J. Wesolowski, "Dissociation Quotients of Aqueous Dimethylammonium Ion," submitted to Power Plant Chemistry.

Bhuiyan, M., M. Paranthaman, S. Sathyamurthy, T. Aytug, S. Kang, D. F. Lee, A. Goyal, E. A. Payzant, and K. Salama, "Growth of Epitaxial Y2O3 Film on Biaxially Textured Ni-W Substrates," presentation at the MRS 2003 Fall Meeting, Boston, MA, December 1-5, 2004.

Bhuiyan, M., M. Paranthaman, S. Sathyamurthy, T. Aytug, S. Kang, D. F. Lee, A. Goyal, E. A. Payzant, and K. Salama, "Growth of Epitaxial Y2O3 Film on Biaxially Textured Ni-W Substrates," Macromolecules 35 (2002), 4009-4016.

Britt, P. F. and A. C. Buchanan, "Pyrolysis Mechanisms of Coal Model Compounds," presentation at the 227th American Chemical Society Fuel Chemistry Conference in the Storch Symposium, Anaheim, CA, March 28-April 1, 2004.

Britt, P. F., S. Viswanathan, I. N. Ivanov, A. A. Puretzky, and D. B. Geohegan, "Preparation of High Purity Single-Wall Carbon Nanotubes," presentation at the American Physical Society Meeting, Montreal, Quebec, Canada, March 22-26, 2004.

Brown, G. M., G. Goretzki, P. V. Bonnesen, R. Dabestani, V. Boiadjiev, and T. Thundat, "Fluorescent and Microcantilever Sensors for Cesium and Strontium," presentation at the 227th American Chemical Society Meeting, Anaheim, CA, March 28-April 1, 2004.

Buchanan, A. C., III, "Chemistry of Complex Organic Energy Resources," presentation at the DOE/BES, Catalysis Program Contractors Meeting, Rockville, MD, May 23-26, 2004.

Ceui, S. T. and D. H. Cochran, "Electroosmotic Flow in Nanoscale Parallel-plate Channels: Molecular Simulation Study and Comparison with Classical Poisson-Boltzmann Theory," submitted to Molecular Simulation.

Cole, D. R., M. S. Gruszkiewicz, J. M. Simonson, A. A. Chialvo, Y. B. Melnichenko, G. D. Wignall, G. W. Flynn, J. S. Lin, A. Habenschuss, B. Fu, K. L. More, T. D. Burchell, A. Striolo, Y. Leng, P. T. Cummings, W. R. Cooper, M. Schilling, K. E. Gubbins, and H. Frielinghaus, "Influence of Nanoscale Porosity on Fluid Behavior," presentation at the 11th International Symposium on Water-Rock Interaction, Saratoga Springs, NY, June 27-July 2, 2004.

Compere, A. L., W. L. Gardner, W. L. Griffith, T. L. White, H. Jameel, D. S. Argyropoulos, and A. L. Fricke, "Microwave Pretreatment to Decrease Hardwood Drying Time and Energy," presentation at the Technical Association for the Pulp and Paper Industry 2004 Spring Technical Conference and Environmental Conference, Atlanta, GA, May 2-5, 2004.

Compere, A. L., W. L. Gardner, W. L. Griffith, T. L. White, P. N. Peralta, A. X. Bangi, B. Kasal, and W. W. Moschler, "Microwave Pretreatment to Decrease Drying Time and Energy," presentation at the Technical Association for the Pulp and Paper Industry 2004 Spring Technical Conference and Environmental Conference, Atlanta, GA, May 2-5, 2004.

Connelly, H. M., D. Pellitier, N. VerBerkmoes, M. B. Strader, G. B. Hurst, and R. L. Hettich, "Characterizing Protein Isoforms and PTMs in Microbial Systems by Top-Down Measurements with Capillary HPLC Interfaced to FTICRMS," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Cui, S., "Molecular Dynamics Study of Single-stranded DNA in Aqueous Solution Confined in a Nanopore," submitted to Molecular Physics.

Dai, S., H-J. Im, M. D. Pawel, and S. Saengkerdsub, "Advanced Materials for Detection of Neutrons from Potential Illicit Nuclear Materials," presentation at the 227th American chemical Society Meeting, Anaheim, CA, March 28-April 1, 2004.

Dai, S., Li-Li Bao, S. Mahurin, and B. Gu, "A New Methodology for Characterization of Environmentally Important Radionuclide Species Via Surface-Enhanced Raman Scattering (SERS)," presentation at the American Chemical Society, Anaheim, CA, March 28-April 1, 2004.

Di Lorenzo, M. L. and B. Wunderlich, "Melting of Polymers by Non-Isothermal, Temperature-modulated Calorimetry: Analysis of Various Irreversible Latent heat Contributions to the Reversing Heat Capacity," Thermochimica Acta 405 (2003) 255-268.

Engle, N. L., P. V. Bonnesen, B. A. Tomkins, T. J. Haverlock, and B. A. Moyer, "Synthesis and Properties of Calix[4]arenas-bis[4-(2-ethylhexyl)benzo-crown-6], a Cesium Extractant with Improved Solubility," submitted to Solvent Extraction and Ion Exchange.

Evans, B. R. and H. M. O'Neill, "Effect of Surface Attachment on Synthesis of Bacterial Cellulose," presentation at the 26th Symposium on Biotechnology for Fuels and Chemicals, Chattanooga, TN, May 9-12, 2004.

Fayek, M. J., S. Utsunomiya, S. M. Pfiffner, L. M. Anovitz, D. C. White, L. R. Riciputi, R. D. Ewing, and F. J. Stadermann, "Nanoscale Chemical and Isotopic Characterization of Geobacter Sulfurreducens Surfaces and Bio-Precipitated Uranium Minerals," submitted to Geochimica et Cosmochimica Acta.

Fedkin, M. V., Y. Z. Xiangyang, J. D. Kubicki, A. V. Bandura, S. N. Lvov, M. L. Machesky, and D. J. Wesolowski, "High Temperature Microelectrophoresis Studies of the Rutile/Aqueous Solution Interface," submitted to Langmuir.

Ford, M. J. and G. J. Van Berkel, "Spray Ionization Interfaces for Surface Sampling with Mass Spectrometry," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Fritts, J. P., M. L. Machesky, D. J. Wesolowski, X. Shang, J. D. Kubicki, G. W. Flynn, K. B. Eisenthal, and T. F. Heinz, "Second Harmonic Generation at the Water-Rutile (110) Interface Confirms MUSIC Model Prediction of Surface Protonation," submitted to Nature.

Geyer, R., A. D. Peacock, D. C. White, C. Lytle, and G. J. Van Berkel, "Atmospheric Pressure chemical Ionization and Atmospheric Pressure Photoionization for Simultaneous Mass Spectrometric Analysis of Microbial Respiratory Ubiquinones and Menaquinones," submitted to Journal of Mass Spectrometry.

Giaquinto, J. M., J. M. Keller, and R. Merriweather, "Overview of the Analytical Processes Used to Simplify Atom Percent Fission Analysis in Uranium and Plutonium Fuels by ASTM E321-96," presentation at the 2004 Winter conference on Plasma Spectrochemistry, Fort Lauderdale, FL, January 5-10, 2004.

Giaquinto, J. M., J. M. Keller, and R. Merriweather, "Overview of the Analytical Processes Used to Simplify Atom Percent Fission Analysis in Uranium and Plutonium Fuels by ASTM E321-96," poster session at the 2004 Winter conference on Plasma Spectrochemistry, Fort Lauderdale, FL, January 5-10, 2004.

Goering D. E. and L. A. Viehland, "Kinetic Theory of RF Quadrupole Ion Traps. I. Trapping of Atomic Ions in a Pure Atomic Gas," submitted to Journal Chemical Physics.

Goeringer, D. E., A. R. Warren, M. B. Wise, and K. J. Hart, "A New Tandem-in-Time and in-Space Mass Spectrometry for High-Throughput Ms/MS," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Granger, M. C. G. J. Van Berkel, P. Gamache, and W. R. Matson, "Mitigation of Artifactual Ion Formation and Signal Variation in Electrospray Mass Spectrometry," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 23-27, 2004.

Greenbaum, E., K. Kurtiz, E. Owens, I. Lee, and M. Humayun, "Nanoscale Photosynthesis and the Photophysics of Neural Cells," presentation at the American Physical Society Meeting, Montreal, Canada, March 22-26, 2004.

Greenbaum, E., M. Rodriguez, and C. A. Sanders, "Photosynthetic Biosensors for Rapid Monitoring of Primary-Source Drinking Water," submitted as a book chapter to ACS Nanotechnology and the Environment Symposium Proceedings, Eds., B. Karn and T. M. Masciangioli, Oxford University Press.

Greenbaum, E., M. Rodriguez, Jr., and C. Sanders, "AquaSentinel: Biosensors for Rapid Monitoring of Primary-Source Drinking Water," presentation at the Water and Sustainable Development: Opportunities for the Chemical Sciences National Meeting, Irvine, CA, June 2-4, 2003.

Greenbaum, E., M. Rodriguez, Jr., and C. Sanders, "AquaSentinel: Biosensors for Rapid Monitoring of Primary-Source Drinking Water," proceedings at the Water and Sustainable Development: Opportunities for the Chemical Sciences National Meeting, Irvine, CA, June 2-4, 2003 (National Academy Press, Washington, DC 20055).

Greenbaum, E., M. Rodriquez, and C. A. Sanders, "Biosensors for Detection of Chemical Warfare Agents," submitted as an encyclopedia article, previously submitted to Biosensors and Bioelectronics (Elsevier).

Greenbaum, E., B. R. Evans, and H. M. O'Neill, "Photosynthetic Hydrogen Production," presentation at the 15th World Hydrogen Energy Conference, Yokohama, Japan, June 27-July 2, 2004.

Greenbaum, E., "Nanoscale Photosynthesis and Artificial Sight," presentation at the 8th World Congress on Biosensors, Grenada, Spain, May 24-26, 2004.

Griffith, W. L., G. F. Dorsey, W. W. Moschler, T. G. Rials, T. Song, P. M. Winistorfer, and C. Song, "Resin Systems for Wood Composites Rapidly E-Beam Cured at Lower Temperatures," presentation at the Technical Association of the Pulp and Paper Industry 2004 Spring Technical Conference and Environmental Conference, Atlanta, GA, May 2-5, 2004.

Harris, W. A., P.T.A. Reilly, W. B. Whitten, and J. M. Ramsey, "MALDI of Bio-Aerosols in an Ion Trap Mass Spectrometer," presentation at the 52nd ASMS Conference, Nashville, TN, May 23-27, 2004.

Hart, K. J., M. B. Wise, and W. H. Griest, "Chemical and Biological Military Reconnaissance Using an Ion Trap-Based Detection System," presentation at the 52nd ASMS Conference on Mass Spectrometry and Allied Topics, Nashville, TN, May 23-27, 2004.

Hettich, R. L., D. Ataman, and J. Sharp, "Protein Surface Mapping by Mass Spectrometry to Monitor pH-Dependent Structural Transitions in Beta-Lactoglobulin A," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Hong, K. and J. W. Mays, "Syntheses and Characterizations of Sulfonated 1,3-Cyclohexadiene Polymers," presentation at the Gordon Research Conference on Colloidal Macromolecular and Polyelectrolyte Solutions, Ventura Beach, CA, February 1-6, 2004.

Hong, K., M. Liu, and J. W. Mays, "Sulfonation of 1k3-cyclohexadiene Polymers: A New Synthetic Polyelectrolyte," presentation at the 226th ACS National Meeting, New York, NY, September 7-11, 2003.

Hu, W., A. Buzin, J-S. Lin, and B. Wunderlich, "J. Polym. Sci., Part B:Polym. Phys. 41 (2003) 403-417.

Hurst, G. B., D. A. Pelletier, T. K. Lankford, K. G. Asano, M. B. Strader, F. W. Larimer, N. C. BerBerkmoes, R. H. Hettich, L. J. Foote, Y. Wang, S. J. Kennel, and D. L. Tabb, "Analysis of Protein Complexes from Rhodopseudomonas Palustris by Mass Spectrometry," presentation at the 52nd ASMS Annual Conference, Nashville, TN, May 25-27, 2004.

Hurst, G. B., D. Pelletier, R. L. Hettich, N. VerBerkmoes, M. B. Strader, P. Lankford, S. Kennel, F. Larimer, W. H. McDonald, and D. Tabb, "Characterization of Protein Complexes in Rhodopseudomonas Palustris," presentation at the 4th Annual UT - Genome Science and Technology Retreat, Foundry in Knoxville, TN, February 27, 2004.

Ingeneri, K. B. and L. R. Riciputi, "Development of a High Efficiency Cavity Ion Source for a Magnetic Sector TIMS," submitted to Rapid Communications in Mass Spectrometry.