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Publications

Published research from EMSL user projects is available on this Publications page. Publications are searchable by citation and abstract title.

Algorithmic Learning for Auto-deconvolution of GC-MS Data to Enable Molecular Networking within GNPS

Aksenov A.A., I. Laponogov, Z. Zhang, S.L. Doran, I. Belluomo, D. Veselkov, and W. Bittremieux, et al. 2020. "Algorithmic Learning for Auto-deconvolution of GC-MS Data to Enable Molecular Networking within GNPS." Nature Biotechnology. PNNL-SA-150654. doi:10.1101/2020.01.13.905091.
Related Projects: 49183

Ru–Pt core–shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen

Alayoglu S, AU Nilekar, E Mavrikakis, and BW Eichhorn. 2008. "Ru–Pt core–shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen." Nature Materials 7:333-338. doi:10.1038/nmat2156
Related Projects: 20691

Ru–Pt core–shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen

Alayoglu S, AU Nilekar, E Mavrikakis, and BW Eichhorn. 2008. "Ru–Pt core–shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen." Nature Materials 7(4):333-338. doi:10.1038/nmat2156
Related Projects: 20691

Longitudinal proteomics analysis in the immediate microenvironment of islet allografts during progression of rejection

Alcazar O., L.F. Hernandez, E.S. Nakayasu, P.D. Piehowski, C.K. Ansong, M.H. Abdulreda, and P. Buchwald. 2020. "Longitudinal Proteomics Analysis in the Immediate Microenvironment of Islet Allografts During Progression of Rejection." Journal of Proteomics 223. PNNL-SA-152172. doi:10.1016/j.jprot.2020.103826
Related Projects: 51172

Embedded Nanofibers Induced by High-Energy Ion Irradiation of Bulk GaSb

Alejandro PBG, S Zhu, K Sun, X Xiang, Y Zhang, and LM Wang. 2008. "Embedded Nanofibers Induced by High-Energy Ion Irradiation of Bulk GaSb." Small 4(8):1119-1124. doi:10.1002/smll.200701236
Related Projects: 25590

FT-ICR MS optimization for the analysis of intact proteins

Aleksey V. Tolmachev, ErrolW. Robinson, SiWu, Ljiljana Pa?sa-Toli ´c?, Richard D. Smith. 2008. "FT-ICR MS optimization for the analysis of intact proteins." International Journal of Mass Spectrometry 287 (2009) 32–38. Available online 1 November 2008. doi:10.1016/j.ijms.2008.10.010
Related Projects: 24698

Measurement of size-dependent dynamic shape factors of quartz particles in two flow regimes

Alexander JM, DM Bell, D Imre, P Kleiber, VH Grassian, and A Zelenyuk. 2016. "Measurement of Size-dependent Dynamic Shape Factors of Quartz Particles in Two Flow Regimes." Aerosol Science and Technology 50(8):870-879. doi:10. 1080/02786826. 2016. 1200006
Related Projects: 48380

Aqueous Photochemistry of Secondary Organic Aerosol of α-Pinene and α-Humulene in the Presence of Hydrogen Peroxide or Inorganic Salts

Alexandra L. Klodt, Julia Laskin, Alexander Laskin, Peng Lin, Sergey A. Nizkorodov, Dian E. Romonosky. 2019. "Aqueous Photochemistry of Secondary Organic Aerosol of α-Pinene and α-Humulene in the Presence of Hydrogen Peroxide or Inorganic Salts." ACS Earth and Space Chemistry 3 (12):2736-2746. 10.1021/acsearthspacechem.9b00222
Related Projects: 48808

Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42−/−

Alexandrova AN, MJ Nayhouse, MT Huynh, JL Kuo, AV Melkonian, G Chavez, NM Hernando, MD Kowal, and CP Liu. 2012. "Selected AB?²-/- (A = C, Si, Ge; B = Al, Ga, In) Ions: a Battle Between Covalency and Aromaticity, and Prediction of Square Planar Si in SiIn?²-/-." Physical Chemistry Chemical Physics. PCCP 14:14815–14821. doi:10.1039/c2cp41821e
Related Projects: 43995

The same in the bulk but different as clusters: X3Y3 (X=B, Al, Ga; Y=P, As)

Alexandrova AN, MR Nechay, BR Lydon, DP Buchan, AJ Yeh, MH Tai, IP Kostrikin, and L Gabrielyan. 2013. "The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As)." Chemical Physics Letters 588:37–42. doi:10.1016/j.cplett.2013.10.003
Related Projects: 47412

Electron Exchange and Conduction in Nontronite from First-Principles

Alexandrov VY, A Neumann, M Scherer, and KM Rosso. 2013. "Electron Exchange and Conduction in Nontronite from First-Principles." Journal of Physical Chemistry C 117(5):2032-2040. doi:10.1021/jp3110776
Related Projects: 46203

Effective Ion Mobility Calculations for Macromolecules by Scattering on Electron Clouds

Alexeev Y, D Fedorov, and AA Shvartsburg. 2014. "Effective Ion Mobility Calculations for Macromolecules by Scattering off Electron Clouds." Journal of Physical Chemistry A 118:6763-6772. doi:10.1021/jp505012c
Related Projects: 48135

Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5

Alexopoulos K, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, VA Glezakou, RJ Rousseau, and JA Lercher. 2016. "Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy and Adsorption Free Energy of Ethanol in H-ZSM-5." Journal of Physical Chemistry C 120(13):7172-7182. doi:10. 1021/acs. jpcc. 6b00923
Related Projects: 48772

Tandem mass spectrometry identifies many mouse brain <i>O</i> -GlcNAcylated proteins including EGF domain-specific <i>O</i> -GlcNAc transferase targets

Alfaro JF, CX Gong, ME Monroe, JT Aldrich, TRW Clauss, SO Purvine, Z Wang, DG Camp, II, J Shabanowitz, P Stanley, GW Hart, DF Hunt, F Yang, and RD Smith. 2012. "Tandem Mass Spectrometry identifies novel mouse brain O-GlcNAcylated proteins including targets of the ER-resident O-GlcNAc transferase." Proceedings of the National Academy of Sciences of the United States of America 109(19):7280-7285. doi:10.1073/pnas.1200425109
Related Projects: 40072

Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation

Al Hasan NM, GE Johnson, and J Laskin. 2013. "Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation." Journal of the American Society for Mass Spectrometry 24(9):1385-95. doi:10.1007/s13361-013-0683-0
Related Projects: 44660

Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion

Alidoust N, M Toroker, and EA Carter. 2014. "Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion." Journal of Physical Chemistry B 118(28):7963–7971. doi:10.1021/jp500878s
Related Projects: 39928

Significant Reduction in NiO Band Gap Upon Formation of Li<sub><i>x</i></sub>Ni<sub>1−<i>x</i></sub>O alloys: Applications To Solar Energy Conversion

Alidoust N, M Toroker, JA Keith, and EA Carter. 2013. "Significant reduction in NiO band gap upon formation of LixNi1?xO alloys: Applications to solar energy conversion." ChemSusChem 7(1):195-201. doi:10.1002/cssc.201300595
Related Projects: 39928

Ionic strength dependence of the oxidation of SO2 by H2O2 in sodium chloride particles

Ali HM, MJ Iedema, XY Yu, and JP Cowin. 2014. "Ionic strength dependence of the oxidation of SO2 by H2O2 in sodium chloride particles." Atmospheric Environment 89:731-738. doi:10.1016/j.atmosenv.2014.02.045
Related Projects: 17806

Chemisorption of CO and Mechanism of CO Oxidation on Supported Platinum Nanoclusters

Allian AD, K Takanabe, KL Fujdala, X Hao, TJ Truex, J Cai, C Buda, M Neurock, and E Iglesia. 2011. "Chemisorption of CO and Mechanism of CO Oxidation on Supported Platinum Nanoclusters." Journal of the American Chemical Society 133(12):4498-4517. doi:10.1021/ja110073u
Related Projects: 34000, 34000

Evaluation of methods to predict reactivity of gold nanoparticles

Allison TC, and YJ Tong. 2011. "Evaluation of Methods to Predict Reactivity of Gold Nanoparticles." Physical Chemistry Chemical Physics. PCCP 13:12858–12864. doi:10.1039/c1cp20376b
Related Projects: 34935, 44720