AEIMonday, August 23, 2004

8:00 PM-10:00 PM Pennsylvania Convention Center -- Hall D, Sci-Mix
Academic Employment Initiative
Organizers:Jerry A. Bell
Marta Gmurczyk
 Substrate binding by the DNA repair protein O6-alkylguanine-DNA alkyltransferase: A new groove for the helix-turn-helix motif
John A. Tainer, Douglas S. Daniels, Tammy T. Woo, Kieu X. Luu, David M. Noll, Neil D. Clarke, Anthony E. Pegg
 Development of synthetic methods for the guanidine functional group
Jasper Asper
 Kinetic Monte Carlo model for graphite slabs exposed in low-Earth orbit
K. Lance Kelly, John C. Tully
 New approach to ab initio molecular dynamics using atom-centered basis functions
John M. Herbert, Martin Head-Gordon
 Chemical dissection reveals the mechanism of Hepatitis Delta Virus ribozyme catalysis
S. R. Das, Joseph A. Piccirilli
 Elucidating the rate determining steps in 3α-Hydroxysteroid Dehydrogenase(AKR1C9) catalysis
William C. Cooper, Yi Jin, Vladi V Heredia, Trevor M. Penning
 b-Hairpin peptides containing a novel b-turn mimic and an unnatural amino acid that mimics a peptide b-strand
Mehrnoosh Hashemzadeh, James S. Nowick
 A protein interaction motif regulates the activity of E. coli pol V
Penny Beuning, Daniel Barsky, Graham Walker
 A unitary group approach to the spin-adapatation of equation of motion coupled cluster theory
Nicholas D. K. Petraco, Josef Paldus, Xiangzhu Li
 Ab-initio study of excited electronic states of the C3H3 radical
Milena Shahu
 Activated 3-dimensional titania nanostructures for optoelectronic and photonic applications
Michael H. Bartl, Karen L. Frindell, Evelyn L. Hu, Galen D. Stucky
 Liquid helium droplets: 0.4 Kelvin nanoscale test tubes
C. Michael Lindsay, Paul L. Stiles, Jeremy M. Merritt, William K. Lewis, Gary E. Douberly, Roger E. Miller
 Quantitation of endogenous retinoids: Toward elucidation of retinoid function in the central nervous system
Maureen A. Kane, Na Chen, Joseph L. Napoli
 AgBF4 impregnated poly (vinyl phenyl ketone): An ethylene sensing film
Omar Green, Judith N. Burstyn
 Ambient measurements of PAHs and nitro-PAHs in Mexico City
Heidi L. Bethel, Fabienne Reisen, Janet Arey
 An inorganic chemist reflects on synthesis, spectroscopy, and a symbiotic relationship mentoring students at a PUI
Catherine F. Dignam, Michelle Millar, Thomas J. Wenzel
 Aspartate 402 is the catalytic base in nitroalkane oxidase
Michael P. Valley, Paul F. Fitzpatrick
 Bio-molecule embedded conducting polymer nanowire sensor
Kumaran Ramanathan, Nosang Myung, Wilfred Chen, Ashok Mulchandani
 Biologically inspired catalytic methods
Joshua D. Lawrence
 Broadly prepared: Educator and researcher in organic chemistry and chemical education
Nathan J. Barrows
 Changes in potency of antibacterials in the environment due to photochemical transformations
Kristine H. Wammer, Kristopher McNeill, Timothy M. LaPara, William A. Arnold, Deborah L. Swackhamer
 Chemical approaches to nanosciences employing transition metal complexes
Jonas I Goldsmith
 Confined assembly of novel silica mesostructures and application in mesostructured nanowires
Yiying Wu, Martin Moskovits, Galen D Stucky
 Controlled graft copolymerization of guar gum utilizing nitroxide mediators
William H. Daly, Veronica K. Holmes
 Design and synthesis of octahydropyranopyrrole-based inhibitors of mammalian ribonucleotide reductase
Michael J. Fuertes, Jaskiran Kaur, Barry S. Cooperman, Amos B. Smith III
 Designed cyclic b-sheet mimics
Wade A. Russu, James S. Nowick
 Detection of phosphorus oxyanions in geothermal water by ion chromatography and electrospray mass spectrometry
Michelle M. Ivey, Krishna L. Foster
 Detection of protein structures at interfaces by nonlinear vibrational spectroscopy
Jie Wang, Matthew L. Clarke, Chunyan Chen, Zhan Chen
 Determination of the autoionization lifetime of the singlet atomic sulfur levels with a tunable vacuum ultraviolet (VUV) radiation
Jianhua Huang, Dadong Xu, William M Jackson
 Determining the efficiency of intramolecular energy transfer in steroidal molecular photonic wires
Harry Morrison, Malikah N. Jenkins
 Developing electrochemical biosensors for toxicity screening and data validation using LC/ES-MS/MS
Jing Yang, James F. Rusling
 Development of a novel laser spectroscopic technique for a graduate program and proposed research and teaching philosophy for an undergraduate curriculum
Giovanni Meloni
 Development of bioconjugate techniques toward the metal based imaging agent
Sangeeta R. Banerjee
 Dianionic and trianionic macrocycles in N-confused porphyrin and their effect on the metal oxidation state
John D. Harvey, Christopher J. Ziegler
 Diastereoselective nucleophilic additions to 2-keto-4-methyl-1,3-dioxanes: 1,3-Dioxanes as chiral auxiliaries
Daniel R. Clark, William F. Bailey
 Diphenyldipyrazolylmethane: A new ligand for copper enzyme active site models
Janet L. Shaw, Christopher J. Ziegler
 Discovery and development of novel antibiotics and antibiotic delivery strategies
Caren Freel Meyers
 Divalency and diversity: Curious chemistry from groups 14, 15 and 16
Nicholas J. Hill, Robert West, William Levason, Gillian Reid
 Divergence of carbonyl ylide reactions as a function of diazocarbonyl compound and aldehyde substituent: Dioxolanes, dioxolenes, and epoxides
Michael P. Doyle, Albert E. Russell, Jonathan Brekan, Luisa Gronenberg
 Dynamics of bimolecular reactions and photodissociation
Jon P. Camden
 Effects of crystallinity on the mechanical properties of polycyclohexylethylene-polyethylene block copolymers
Mahesh K. Mahanthappa, Frank S. Bates, Marc A. Hillmyer
 Effects of hydrogen-bonding on Compound I formation and reduction in heme hydroperoxidase models
Jake D. Soper, Daniel G. Nocera
 Electron-transfer kinetics of copper(II/I) complexes with the macrocyclic hexadentate ligands [18]aneS6 and [18]aneS4O2
Gezahegn T. Chaka, Ashoka Kandegedara, Mary Jane Heeg, Leo A. Ochrymowycz, David B. Rorabacher
 Electronic structure research: Quantum Monte Carlo, traditional ab initio, and density functional approaches in the study of "difficult" chemical systems
John A.W. Harkless
 Electrowetting-on-dielectric for analysis of peptides and proteins by matrix assisted laser desorption/ionization mass spectrometry
Aaron R Wheeler, Hyejin Moon, Chang Jin Kim, Joseph A. Loo, Robin L. Garrell
 Elemental analysis of meteorites: L chondrites, shock loading, and chemical fractionation
Jon M. Friedrich
 Elucidation of the electronic properties of immobilized alkanethiolate-stabilized gold clusters and nanoparticles using scanning tunneling microscopy
Rachel K. Smith, Sanjini U. Nanayakkara, Brent A. Mantooth, Gerd Woehrle, James E. Hutchison, Paul S. Weiss
 End functionalized Poly(3-alkylthiophenes) as building blocks for the synthesis of block copolymers
Malika Jeffries-EL, Mihaela C. Iovu, Elena E. Sheina, Geneviève Sauvé, Richard D. McCullough
 Equilibrium studies of unsaturated fatty acid methyl esters coordinated to palladium (II)
Kesete Ghebreyessus, Robert J. Angelici
 Evanescent-wave cavity ring-down spectroscopy applied to condensed-phase systems
Theresa E. Hannon
 Exploring RNA structure, energetics, and function to enable predictions from sequence
Susan J. Schroeder
 Exploring the impact of reagent vibrational excitation on chemical reactions
Hans A. Bechtel
 Fabrication of gold nanoparticles for protein regulation
Joseph M. Simard, Ayush Verma, Nicholas O. Fischer, Vincent M. Rotello
 Five-coordinate alkenylruthenium complexes: Studies on electronic communication and reversible coordination of Phosphine and Oxygen at low temperature
Sripriya K Seetharaman, Min chul Chung, Michael B Sponsler
 Functionalization of nanocrystalline diamond for biosensing/MEMS applications
Jian Wang, Xingcheng Xiao, Orlando Auciello, Millicent A. Firestone, John A. Carlisle
 Geometric and computational molecular dynamics and control
Florence J. Lin
 In the language of mathematics: A physical chemist's research retrospective
Christine V. Hampton
 Innovation in chemistry instruction balanced with interactive learning and real-life analogies
Yetta Porter-Chapman
 Inventing new reactions that break the rules of traditional organic chemistry
Brenton DeBoef, Scott R. Gilbertson, Dalibor Sames
 Investigation of the role of long range charge transfer in stimulation of gene mutations
Abraham Joy, Michael Seidman, Gary B Schuster
 Ion diffusion utilized in fabricating soft fuel cells assembled using layer-by-layer technology-intelligent programs for chemical education
Tarek R. Farhat, P. T. Hammond
 Ion-pair dissociation dynamics of CH3Br-->CH3+ + Br- as a function of VUV wavelength
Dadong Xu, Jianhua Huang, Roosevelt J. Price II, William M. Jackson
 Knowledge-based potentials in drug design
Brian N. Dominy, Eugene I. Shakhnovich
 Materials discovery: From catalyst to actinide materials and beyond
Benny C. Chan
 MD simulations of protein-polyelectrolyte multilayers
Venkateswarlu Panchagnula, Junhwan Jeon, James F. Rusling, Andrey V. Dobrynin
 Mechanistic studies of biological, chemical, and atmospheric systems via first-principles simulation methods
Yves A. Mantz
 Mechanistic studies on small molecule binding and activation by biomimetic dinuclear metal complexes
Sergey V. Kryatov, Elena V. Rybak-Akimova, Lawrence Que Jr.
 Metallophthalocyanine based sensors for detection of chemical warfare agents and explosives
Karla A. Miller, Ngoc Tran, Forest Bohrer, Sarah Toal, Michael J. Hale, Bernd Fruhberger, Andrew C. Kummel, Ivan K. Schuller, William C. Trogler
 Method development for the characterization of mainstream bidi smoke by gas chromatography-mass spectrometry (GC-MS) and infrared spectrometry (IR)
Omobola A. Oladipupo, Ngee Sing Chong
 Method for assessing polymer branching in polyethylenimine by ESI-MS
Jianghong Gu, Monika Konaklieva, James E. Girard
 Microwave-assisted combinatorial chemistry: Highly efficient library synthesis on planar supports
Matthew D. Bowman, Ryan C. Jeske, Helen E. Blackwell
 Mixed dipicolinato-hydroxylamido vanadium complexes as potential insulin-mimetic compounds: Synthesis and characterization
Jason J. Smee, Debbie C. Crans, Nichola Maurer, Guillaume Teissedre, Mandy Maes, Luqin Yang, Susie M. Miller, Oren P. Anderson
 Monitoring cellular signaling using micro- and nanotechnology: Interface between biology and engineering
Hajime Takano, Philip G. Haydon, Marc D. Porter
 Monitoring fast changes in amine neurotransmitters using microdialysis with on-line capillary electrophoresis detection
B. Jill Venton, Robert T. Kennedy, Terry E. Robinson
 Nanoscale shape-memory alloys: Synthesis and applications
Nickolaus A. Smith
 New avenues in homogeneous catalysis, catalyst recovery, and facilitated chemical synthesis
Philip L. Osburn
 New explorations and findings in enediyne and sugar chemistry
Martin J. Lear, Masahiro Hirama
 Nonadditive ab initio interaction potentials in simulations of condensed phases
Robert Bukowski, Krzysztof Szalewicz
 Novel furanocoumarin inhibitors of CYP3A4
Cheng Jen, Charles J. Kelley, David J. Greenblatt, Lisa L. von Moltke, James L. Weemhoff, Su Xiang Duan, Barbara W. LeDuc
 Novel instrumentation and methods in mass spectrometry: from microfabricated mass analyzers to hypervelocity impact ionization
Daniel E. Austin
 Novel organic vanadium(V) insulin-mimetic compounds: Synthesis, solid state, and solution chemistry
Luqin Yang, Wenzheng Jin, Debbic C Crans, Agnete la Cour, Susie M. Miller, Oren P. Anderson
 O2and N2O activation by copper active sites in biology
Peng Chen, Edward I. Solomon
 One-electron oxidation of a hydrogen-bonded phenol occurs by a proton-coupled electron transfer mechanism
Ian J. Rhile, James M. Mayer
 Optical characterization of nanomaterials using near-field scanning optical microscopy
Geoffrey M. Lowman, Paula T. Hammond, Steven K. Buratto
 Organic synthesis and biosynthesis
David A. Vosburg
 Pattern stability in microcontact printed self assembled monolayers
Jennifer R. Hampton, Rachel K. Smith, Arrelaine A. Dameron, Christina E. Inman, James E. Hutchison, Paul S. Weiss
 Persistent Bioaccumulative Toxic (PBT) chemicals in Pacific Flyway migratory birds
Yelena Sapozhnikova, Jaqueline Garcia-Hernandez, Zed Mason, Daniel Schlenk
 Photochemical and physical inorganic faculty candidate
James E. McGarrah
 Photochemical stabilization of pentacene and a substituted pentacene in solution and in thin films
Ashok J. Maliakal, Krishnan Raghavachari, Howard E. Katz, Ed Chandross
 Physical chemist seeking to research chemical education at a PUI
Carmen L. Beildeck
 Physical chemistry on the nanoscale: From single molecules to self-assembled systems
Dan E. Barlow
 Polymers for biomedical and environmental applications: Enzymatic synthesis and surface characterization
Anja Mueller
 Potentiometric anion selectivity and response characteristics of metallo-salen and salophen complexes as carriers in polymeric membrane electrodes
Jeremy T. Mitchell-Koch, Mark E. Meyerhoff
 Prediction, analysis and understanding; why computational chemistry is indispensable: Snapshots of proven skills and exciting new directions
Kiran Boggavarapu
 Preparation and characterization of benzo-annelated macrobicyclic diamines
Gary L. Smith, Richard W. Taylor, Masood A. Khan
 Principles and applications of theoretical chemistry: From molecular physics to biochemistry
Ravinder Abrol
 Progress toward the realization of S = ½ kagomé antiferromagnets
Matthew P. Shores, Bart M. Bartlett, Emily A. Nytko, Daniel G. Nocera
 Progress toward a new multiple component condensation route to complex cyclopentenones
John Mabry, Bruce Ganem
 Progress toward the synthesis of the C1-C22 subunit of halichondrin B
Gregory H. Hanson, Farid Benayoud, Steven D. Burke
 Quadruply bonded metals linked by dicarboxylate, diamidate, and dioxyquinone bridges
Nathan J. Patmore, Malcolm H. Chisholm
 Rapid screening and evolution of protein activity and thermostability of fluorinated proteins
Jin K. Montclare, David A. Tirrell
 Reorganizational dynamics of multilamellar lipid bilayer assemblies using high-pressure Fourier transform infrared spectroscopy
Scott W. Huffman, Ira W. Levin
 Role of the B component of methylosinus trichosporium OB3b methane monooxygenase
Jingyan Zhang, John D. Lipscomb
 SAR (Structure-activity relationship) of new synthetic peptides with transcinnamic and dihydrocinnamic acids as inhibitors for thrombin
Cristina Clement, Patricia Chimieze, Manfred Philipp
 Shape control of inorganic nanostructures
Amy Lucia Prieto, Hongkun Park
 Solution behavior of Sodium taurodeoxycholate (NaTDC) in presence of Poly(vinylpyrrolidone) (PVP)
Tania Dey
 Spherical nanoparticle ordering in block copolymer systems
John M. Papalia, Mary E. Galvin
 Studies of nano-scale systems with electronics applications
Marcus Lay
 Sub-picosecond transient dynamics in gold nanoparticles encapsulated by a fluorophore-terminated monolayer
Tao Gu, James K. Whitesell, Marye Anne Fox
 Superfluid solvation in finite systems: Linear molecules embedded in helium and para-hydrogen clusters
Francesco Paesani
 Synthesis and manipulation of metallic nanowires
Anne K. Bentley
 Synthesis and reactivity of a series of transition metal complexes containing novel ligands as C-H bond activation catalysts
Remle Celenligil-Cetin
 Synthesis of functionalized β-amino acids and their oligomers
Timothy J. Peelen, Yonggui Robin Chi, Samuel H. Gellman
 Synthesis of solid supported organometallic catalysts: Increasing the “atom economy” of reactions
Leslie D. Vazquez-Serrano
 Theoretical and computational approaches to reaction rates
Dmitry M. Medvedev, Stephen K. Gray, Evelyn M. Goldfield
 Time-dependent density functional theory for studying the energies and lifetimes of excited adsorbate states on metal surfaces
Xiaosong Li, H. B. Schlegel, Michael Frisch, John C. Tully
 Tin capped trinuclear nickel catalysts for carbon dioxide activation: A model for a single site nucleophilic pocket
Eugenio Simon-Manso, C. P. Kubiak
 Titanium catalysts with ancillary beta-iminoketone ligands: Synthesis, structure, and polymerization of olefins
Yuguo Ma, Andrew F. Mason, Emil B. Lobkovsky, Geoffrey W. Coates
 Toward a "smart petri dish": Modification of porous silicon for tissue-based biosensors
Michael P. Schwartz, Sara D. Alvarez, Austin M. Derfus, Benjamin Migliori, Lin Chao, Sangeeta N. Bhatia, Michael J. Sailor
 Transition metals in organic syntheses
Aiwen Lei, James P. Collman, Xumu Zhang
 Tubes, films, and supercritical fluids: Recent studies in materials science
Jason K. Vohs, Bradley D. Fahlman
 2-D self-assembly of cruciform π-systems at the liquid-graphite interface: A scanning tunneling microscopy study
Gina M. Florio, Jennifer E. Klare, Colin Nuckolls, George W. Flynn
 Ultrasensitive detection in liquids using cavity ring-down spectroscopy
Kate L. Bechtel
 Understanding how external influences impact reaction rates and selectivity: An ab initio, Monte Carlo and QM/MM approach
Orlando Acevedo, William L. Jorgensen
 Use of atomic force microscopy to probe biological interactions on the nanoscale
Robert D. Boyd
 Use of fluorescence anisotropy in chiral recognition and enantiomeric excess determination
Yafei Xu, E.Matthew McCarroll

Symposium Grid -- Academic Employment Initiative (Give a Poster, Get an Interview!) -- Session Listing

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004