EMSL: Monthly Report - August/September 2007

EMSL Monthly Report: August/September 2007

Publications

The following list represents publications by EMSL staff members and users where the publication resulted from research carried out in EMSL.

Anderson GA, N Tolic, X Tang, C Zheng, and JE Bruce. 2007. "Informatics Strategies for Large-Scale Novel Cross-Linking Analysis." Journal of Proteome Research 6(9):3412-1421. doi:10.1021/pr070035z

Boily J. 2007. "Temperature-Programmed Desorption of Oxalate from the Goethite Surface." The 17th Annual V.M. Goldschmidt Conference held in Leeds, England. In Geochimica et Cosmochimica Acta 71(15) Supplement 1:A105.

Calligan LJ and EM Pierce. 2007. "Experimental Study of the Dissolution Rates of a Simulated Borosilicate Waste Glass as a Function of pH and Temperature." Presented at the 234th American Chemical Society National Meeting. August 19-23, Boston, Massachusetts.

Cannon WR, DJ Taasevigen, DJ Baxter, and J Laskin. 2007. "Evaluation of the Influence of Amino Acid Composition on the Propensity for Collision-Induced Dissociation of Model Peptides Using Molecular Dynamics Simulations." Journal of the American Society for Mass Spectrometry 18(9):1625-1637. doi:10.1016/j.jasms.2007.06.005

Cavanaugh L, X Chen, B Richardson, D Ungar, I Pelczer, J Rizo, and FM Hughson. 2007. "Structural Analysis of Conserved Oligomeric Golgi Complex Subunit 2." Journal of Biological Chemistry. 282(32):23418-23426. doi:10.1074/jbc.M703716200

Chen J, Y Lin, and G Chen. 2007. "Fabrication of Poly(Methyl Methacrylate) Microfluidic Chips by Redox-Initiated Polymerization." Electrophoresis 28(16):2897-2903.

Cui L, Y Lin, D Sundholm, and LS Wang. 2007. "A Photoelectron Spectroscopic and Computational Study of Sodium Auride Clusters, NanAun-(n=1-3)." Journal of Physical Chemistry A 111(31):7555-7561.

Ding J, CM Sorensen, Q Zhang, H Jiang, N Jaitly, EA Livesay, Y Shen, RD Smith, and T Metz. 2007. "Capillary LC Coupled with High-Mass Measurement Accuracy Mass Spectrometry for Metabolic Profiling." Analytical Chemistry 79(16):6081-6093. doi:10.1021/ac070080q

Dohnalkova A, R Mendoza, C Gassman, and CL Bilskis. 2007. "Creating 3D Reconstruction of Cyanobacterium Cyanothece sp. by Alignment of Serial TEM Tomograms from Consecutive Plastic Sections." Microscopy and Microanalysis 13(Supplement 2):1338-1339. doi:10.1017/S1431927607077902

Gupta N, S Tanner, N Jaitly, JN Adkins, MS Lipton, R Edwards, MF Romine, A Osterman, V Bafna, RD Smith, and PA Pevzner. 2007. "Whole Proteome Analysis of Post-Translational Modifications: Applications of Mass-Spectrometry for Proteogenomic Annotation." Genome Research 17(9):1362-1377. doi:10.1101/gr.6427907

Hadjar O, P Wang, JH Futrell, Y Dessiaterik, Z Zhu, JP Cowin, MJ Iedema, and J Laskin. 2007. "Design and Performance of an Instrument for Soft Landing of Biomolecular Ions on Surfaces." Analytical Chemistry 79(17):6566-6574. doi:10.1021/ac070600h

Hopkins RJ, KM Lewis, Y Dessiaterik, Z Wang, A Tivanski, WP Arnott, A Laskin, and MK Gilles. 2007. "Correlations between Optical, Chemical and Physical Properties of Biomass Burn Aerosols." Geophysical Research Letters 34: Art. No. L18806. doi:10.1029/2007GL030502

Ibrahim YM, ME Belov, AV Tolmachev, DC Prior, and RD Smith. 2007. "Ion Funnel Trap Interface for Orthogonal Time-of-Flight Mass Spectrometry." Analytical Chemistry 79(20):7845-7852. doi:10.1021/ac071091m

Jiang W, I Bae, and WJ Weber. 2007. "Disordering and Dopant Behaviour in Au+ -Ion-Irradiated AlN." Journal of Physics: Condensed Matter 19(35):356207. doi:10.1088/0953-8984/19/35/356207

Jiang W, P Nachimuthu, WJ Weber, and L Ginzbursky. 2007. "Variation in Lattice Parameters of 6H-SiC Irradiated to Extremely Low Doses." Applied Physics Letters 91(9): Art. No. 091918. doi:10.1063/1.2778630

Kerisit SN and KM Rosso. 2007. "Kinetic Monte Carlo Model of Charge Transport in Hematite (a-Fe₂O₃)." Journal of Chemical Physics 127(12): Art. No. 124706. doi:10.1063/1.2768522

Kerisit SN, KM Rosso, M Dupuis, and M Valiev. 2007. "Molecular Computational Investigation of Electron-Transfer Kinetics across Cytochrome-Iron Oxide Interfaces." Journal of Physical Chemistry C 111(30):11363-11375. doi:10.1021/jp072060y

Koropatkin N, AM Randich, M Bhattacharya-Pakrasi, HB Pakrasi, and TJ Smith. 2007. "The Structure of the Iron-Binding Protein, FutA1, from Synechocystis 6803*." Journal of Biological Chemistry 282(37):27468-27477. doi:10.1074/jbc.M704136200

Laskin J, JH Futrell, and IK Chu. 2007. "Is Dissociation of Peptide Radical Cations an Ergodic Process?" Journal of the American Chemical Society 129(31):9598-9599. doi:10.1021/ja07378r

Laskin J, P Wang, O Hadjar, JH Futrell, J Alvarez, and RG Cooks. 2007. "Charge Retention by Peptide Ions Soft-Landed onto Self-Assembled Monolayer Surfaces." International Journal of Mass Spectrometry 265(2-3):237-243.

Laskin J, Z Yang, C Lam, and IK Chu. 2007. "Charge-Remote Fragmentation of Odd-Electron Peptide Ions." Analytical Chemistry 79(17):6607-6614. doi:10.1021/ac070777b

Ledbetter RN, SA Connon, AL Neal, A Dohnalkova, and TS Magnuson. 2007. "Biogenic Mineral Production by a Novel Arsenic-Metabolizing Thermophilic Bacterium from the Alvord Basin, Oregon." Applied and Environmental Microbiology 73(18):5928-5936.

Li N, H Xiao, X Zu, L Wang, RC Ewing, J Lian, and F Gao. 2007. "First-Principles Study of Electronic Properties of La₂HF₂O₇ and Gd₂HF₂O₇." Journal of Applied Physics 102(6): Art. No. 063704. doi:10.1063/1.2779262

Li Z, X Cui, J Zheng, Q Wang, and Y Lin. 2007. "Effects of Microstructure of Carbon Nanofibers for Amperometric Detection of Hydrogen Peroxide." Analytica Chimica Acta 597(2):238-244. doi:10.1016/j.aca.2007.06.046

Liu C. 2007. "An Ion Diffusion Model in Semi-Permeable Clay Materials." Environmental Science and Technology 41(15):5403-5409. doi:10.1021/es0624117

Liu G and Y Lin. 2007. "Electrochemical Quantification of Single-Nucleotide Polymorphisms Using Nanoparticle Probes." Journal of the American Chemical Society 129(34):10394-10401. doi:10.1021/ja070429r

Liu T, ME Belov, N Jaitly, W Qian, and RD Smith. 2007. "Accurate Mass Measurements in Proteomics." Chemical Reviews 107(8):3621-3653. doi:10.1021/cr068288j

Marshall MJ, AE Plymale, DW Kennedy, L Shi, Z Wang, S Reed, A Dohnalkova, CJ Simonson, C Liu, D Saffarini, MF Romine, JM Zachara, AS Beliaev, and JK Fredrickson. 2007. "Hydrogenase- and Outer Membrane c-Type Cytochrome-Facilitated Reduction of Technetium(VII) by Shewanella oneidensis MR-1." Environmental Microbiology. doi:10.111/j.1462-2920.01438x

Maryasov AG, MK Bowman, and YD Tsvetkov. 2006. "Dipole-Dipole Interactions of High-Spin Paramagnetic Centers in Disordered Systems." Applied Magnetic Resonance 30(3-4):683-702.

Meakin P, AM Tartakovsky, TD Scheibe, DM Tartakovsky, G Redden, PE Long, SC Brooks, and Z Xu. 2007. "Particle Methods for Simulation of Subsurface Multiphase Fluid Flow and Biogeological Processes." Journal of Physics: Conference Series 78: Art. No. 012047. doi:10.1088/1742-6596/78/1/012047

Oda T, Y Oya, S Tanaka, and WJ Weber. 2007. "Validation of Potential Models for Li2O in Classical Molecular Dynamics Simulation. Journal of Nuclear Materials 367-370(Pt. 1):263-268. doi:10.1016/j.jnucmat.2007.03.139

Oostrom M, JH Dane, and TW Wietsma. 2007. "A Review of Multidimensional, Multifluid, Intermediate-Scale Experiments: Flow Behavior, Saturation Imaging, and Tracer Detection and Quantification." Vadose Zone Journal 6(3):610-637. doi:10.2136/vzj2006.0178M

Pierce EM, BP McGrail, P Martin, JC Marra, BW Arey, and KN Geiszler. 2007. "Accelerated Weathering of High-Level and Plutonium-Bearing Lanthanide Borosilicate Waste Glasses under Hydraulically Unsaturated Conditions." Applied Geochemistry 22(9):1841-1859. doi:10.1016/j.apgeochem.2007.03.056

Qafoku N, O Qafoku, CC Ainsworth, A Dohnalkova, and SG McKinley. 2007. "Fe-Solid Phase Transformations under Highly Basic Conditions." Applied Geochemistry 22(9):2054-2064.

Reddy KM, R Benson, J Hays, A Thurber, MH Engelhard, V Shutthanandan, R Hansen, WB Knowlton, and A Punnoose. 2007. "On the Room-Temperature Ferromagnetism of Zn1-_xCr_xO Thin Films Deposited by Reactive Co-Sputtering." Solar Energy Materials and Solar Cells 91(15-16):1496-1502.

Scheibe TD, AM Tartakovsky, DM Tartakovsky, GD Redden, and P Meakin. 2007. "Hybrid Numerical Methods for Multiscale Simulations of Subsurface Biogeochemical Processes." Journal of Physics: Conference Series 78: Art. No. 012063. doi:10.1088/1742-6596/78/1/012063

Sharp JL, KK Anderson, GB Hurst, DS Daly, DA Pelletier, WR Cannon, DL Auberry, DD Schmoyer, W McDonald, AM White, BS Hooker, KD Victry, MV Buchanan, V Kery, and HS Wiley. 2007. "Statistically Inferring Protein-Protein Associations with Affinity Isolation LC-MS/MS Assays." Journal of Proteome Research 6(9):3788-3795.

Shin Y, JM Blackwood, I Bae, BW Arey, and GJ Exarhos. 2007. "Synthesis and Stabilization of Selenium Nanoparticles on Cellulose Nanocrystal." Materials Letters 61(21):4297-4300. doi:10.1016/j.matlet.2007.01.091

Shvartsburg AA and RD Smith. 2007. "Scaling of the Resolving Power and Sensitivity for Planar FAIMS and Mobility-Based Discrimination in Flow- and Field-Driven Analyzers." Journal of the American Society for Mass Spectrometry 18(9):16721681. doi:10.1016/j.jasms.2007.06.013

Smallwood HS, NM Lourette, CB Boschek, DJ Bigelow, RD Smith, L Pasa-Tolic, and TC Squier. 2007. "Identification of a Denitrase Activity Against Calmodulin in Activated Macrophages Using High-Field Liquid Chromatography-FTICR Mass Spectrometry." Biochemistry 46(37):10498-10505.

Tobin JG, S Morton, SW Yu, GD Waddill, IK Schuller, and SA Chambers. 2007. "Spin-Resolved Photoelectron Spectroscopy of Fe₃O₄: The Case Against Half-Metallicity." Journal of Physics: Condensed Matter 19(31): Art. No. 315218.

Valiev M, BC Garrett, MK Tsai, K Kowalski, SM Kathmann, GK Schenter, and M Dupuis. 2007. "Hybrid Approach for Free Energy Calculations with High-Level Methods: Application to the S(N)2 Reaction of CHC_l3 and OH- in Water." Journal of Chemical Physics 127(5): Art. No. 51102.

Wander MC, KM Rosso, and MA Schoonen. 2007. "Structure and Charge Hopping Dynamics in Green Rust." Journal of Physical Chemistry C 111(30):11414-11423. doi:10.1021/jp072762n

Xiong G, R Shao, TC Droubay, AG Joly, KM Beck, SA Chambers, and WP Hess. 2007. "Photoemission Electron Microscopy of TiO2 Anatase Films Embedded with Rutile Nanocrystals." Advanced Functional Materials 17(13):2133-2138.

Yang Z, O Hadjar, and J Laskin. 2007. "Effect of the Surface Morphology on the Energy Transfer in Ion-Surface Collisions." International Journal of Mass Spectrometry 265(2-3):124-129. doi:10.1016/j.ijms.2007.01.018

Yu Z, Y Zhang, CM Wang, V Shutthanandan, IV Lyubinetsky, MH Engelhard, LV Saraf, DE McCready, CH Henager, P Nachimuthu, and S Thevuthasan. 2007. "Synthesis and Characterization of Compositionally Graded Si1-xGex Layers on Si Substrate." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 261(1-2):723-726.

Zhang Y, BD Milbrath, WJ Weber, M Elfman, and HJ Whitlow. 2007a. "Radiation Detector Resolution Over a Continuous Energy Range." Applied Physics Letters 91(09): Art No. 094105. doi:10.1063/1.2776978

Zhang Y, F Gao, R Devanathan, and WJ Weber. 2007b. "A Fast Screening Technique to Evaluate Detector Response. Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 579(1):108-112. doi:10.1016/j.nima.2007.04.019

Zhang Y, J Jensen, G Possnert, DA Grove, I Bae, and WJ Weber. 2007c. "Stopping Power Measure-ments of He Ions in Si and SiC by Time-of-Flight Spectrometry. Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 261(1-2):1180-1183. doi:10.1016/j.nimb.2007.04.276

Zhang Z, Q Ge, S Li, BD Kay, JM White, and Z Dohnalek. 2007d. "Imaging Intrinsic Diffusion of Bridge-Bonded Oxygen Vacancies on TiO2(110). Physical Review Letters 99(12): Art. No. 126105. doi:10.1103/PhysRevLett.99.126105