Skip to Main Content U.S. Department of Energy
Fundamental and Computational Sciences Directorate

Staff information

Wendy Shaw

Wendy Shaw

Physical Sciences Division
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K2-57
Richland, WA 99352
509/375-5922

Research Interests

  • Catalysis: Gain a fundamental, molecular-level understanding of the role of the enzyme scaffold, or outer coordination sphere, on molecular catalysts. Investigating the role of proton channels, the environment around the active site, structural stability and dynamics on catalysts for H2 production and oxidation as well as CO2 hydrogenation. The long term goal of these projects is to implement the superior features of enzymes while maintaining the relative simplicity of a homogeneous catalyst.
  • EFRC: Using 1-, 2-, and 3-dimensional NMR and dynamic NMR techniques to characterize novel catalysts and catalytic intermediates for the interconversion of H+ to H2, O2 to H2O and N2 to NH3, respectively,
  • Biomineralization Processes: Investigation of biomineralization processes, particularly amelogenin, the protein which forms enamel using solid state NMR, neutron reflectivity and physical chemistry methods.

Education and Credentials

  • Ph.D. in Physical/Biophysical Chemistry (Sept. 1996 - May 2000), University of Washington, Seattle, WA
  • Bachelor of Arts: Chemistry (Sept. 1990 - Dec. 1993), Whitman College, Walla Walla, WA

Affiliations and Professional Service

  • American Chemical Society
  • Materials Research Society

Awards and Recognitions

PNNL Publications

2014

  • Das PP, MH Ho, MJ O'Hagan, WJ Shaw, RM Bullock, S Raugei, and ML Helm. 2014. "Controlling Proton Movement: Electrocatalytic Oxidation of Hydrogen by a Nickel(II) Complex Containing Proton Relays in the Second and Outer Coordination Spheres." Dalton Transactions 43(7):2744-2754.  doi:10.1039/c3dt53074d

2013

  • Buchko GW, G Lin, BJ Tarasevich, and WJ Shaw. 2013. "A solution NMR investigation into the impaired self-assembly properties of two murine amelogenins containing the point mutations T21?I or P41?T." Archives of Biochemistry and Biophysics 537(2):217-224.  doi:10.1016/j.abb.2013.07.015
  • Lu J, Y Xu, and WJ Shaw. 2013. "Phosphorylation and Ionic Strength Alter the LRAP-HAP Interface in the N-terminus." Biochemistry 52(13):2196-2205.  doi:10.1021/bi400071a
  • Lu J, Y Xu, GW Buchko, and WJ Shaw. 2013. "Mineral Association Changes the Secondary Structure and Dynamics of Murine Amelogenin." Journal of Dental Research 92(11):1000-1004.  doi:10.1177/0022034513504929
  • Buchko GW, A Jain, ML Reback, and WJ Shaw. 2013. "Structural characterization of the model amphipathic peptide Ac-LKKLLKLLKKLLKL-NH2 in aqueous solution and with 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoroisopropanol." Canadian Journal of Chemistry 91(6):406-413.  doi:10.1139/cjc-2012-0429
  • Franz JA, MJ O'Hagan, MH Ho, TL Liu, ML Helm, S Lense, DL DuBois, WJ Shaw, AM Appel, S Raugei, and RM Bullock. 2013. "Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation." Organometallics 32(23):7034-7042.  doi:10.1021/om400695w
  • Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squier, S Raugei, JA Roberts, and WJ Shaw. 2013. "The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry - A European Journal 19(6):1928-1941.  doi:10.1002/chem.201202849
  • Tarasevich BJ, U Perez-Salas, DL Masica, J Philo, S Krueger, CF Majkrzak, JJ Gray, and WJ Shaw. 2013. "Neutron Reflectometry Studies of the Adsorbed Structure of the Amelogenin, LRAP." Journal of Physical Chemistry B 117(11):3098-3109.  doi:10.1021/jp311936j

2012

  • Jain A, GW Buchko, ML Reback, MJ O'Hagan, B Ginovska-Pangovska, JC Linehan, and WJ Shaw. 2012. "Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere." ACS Catalysis 2(10):2114-2118.  doi:10.1021/cs3004177
  • Jain A, ML Helm, JC Linehan, DL DuBois, and WJ Shaw. 2012. "Biologically Inspired Phosphino Platinum Complexes." Inorganic Chemistry Communications 22:65-67.  doi:10.1016/j.inoche.2012.04.039
  • Jain A, ML Reback, ML Lindstrom, CE Thogerson, ML Helm, AM Appel, and WJ Shaw. 2012. "Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics." Inorganic Chemistry 51(12):6592-6602.  doi:10.1021/ic300149x
  • Shaw WJ. 2012. "The outer-coordination sphere: incorporating amino acids and peptides as ligands for homogeneous catalysts to mimic enzyme function." Catalysis Reviews: Science and Engineering 54(4):489-550.  doi:10.1080/01614940.2012.679453
  • Choi YJ, Y Xu, WJ Shaw, and E Ronnebro. 2012. "Hydrogen Storage Properties of New Hydrogen-Rich BH3NH3-Metal Hydride (TiH2, ZrH2, MgH2, and/or CaH2) Composite Systems." Journal of Physical Chemistry C C116(15):8349-8358.  doi:10.1021/jp210460w
  • Chua YS, W Li, WJ Shaw, G Wu, T Autrey, Z Xiong, MW Wong, and P Chen. 2012. "Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate ." ChemSusChem 5(5):927-931.  doi:10.1002/cssc.201100523
  • Lense S, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JA Roberts, AM Appel, and WJ Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31(19):6719-6731.  doi:10.1021/om300409y
  • O'Hagan MJ, MH Ho, JY Yang, AM Appel, M Rakowski DuBois, S Raugei, WJ Shaw, DL DuBois, and RM Bullock. 2012. "Proton Delivery and Removal in [Ni(PR2NR'2)2]2+ Hydrogen Production and Oxidation Catalysts." Journal of the American Chemical Society 134(47):19409-19424.  doi:10.1021/ja307413x

2011

  • Jain A, S Lense, JC Linehan, S Raugei, HM Cho, DL DuBois, and WJ Shaw. 2011. "Incorporating Peptides in the Outer Coordination Sphere of Bio-inspired Electrocatalysts for Hydrogen Production ." Inorganic Chemistry 50(9):4073-4085.  doi:10.1021/ic1025872
  • Appel AM, DH Pool, MJ O'Hagan, WJ Shaw, JY Yang, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1(7):777-785.  doi:10.1021/cs2000939
  • Masica DL, JJ Gray, and WJ Shaw. 2011. "Partial high-resolution structure of phosphorylated and non-phosphorylated leucine-rich amelogenin protein adsorbed to hydroxyapatite." Journal of Physical Chemistry C 115(28):13775-13785.  doi:10.1021/jp202965h
  • O'Hagan MJ, WJ Shaw, S Raugei, S Chen, JY Yang, UJ Kilgore, DL DuBois, and RM Bullock. 2011. "Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen." Journal of the American Chemical Society 133(36):14301-14312.  doi:10.1021/ja201838x
  • Pierce EM, WJ Shaw, C Plata, and KL Manke. 2011. "Breaking Good." Radwaste Solutions 18(1):42-46. 

2010

  • Buchko GW, BJ Tarasevich, J Roberts, ML Snead, and WJ Shaw. 2010. "A Solution NMR Investigation into the Murine Amelogenin Splice-Variant LRAP (Leucine-Rich Amelogenin Protein)." Biochimica et Biophysica Acta--Proteins and Proteomics 1804(9):1768-1774. 
  • Neiner D, AT Luedtke, AJ Karkamkar, WJ Shaw, J Wang, N Browning, T Autrey, and SM Kauzlarich. 2010. "Decomposition Pathway of Ammonia Borane on the Surface of nano-BN." Journal of Physical Chemistry C 114(32):13935-13941. 
  • Pierce EM, LR Reed, WJ Shaw, BP McGrail, JP Icenhower, CF Windisch, Jr, EA Cordova, and JW Broady. 2010. "Experimental Determination of the Effect of the Ratio of B/Al on Glass Dissolution along the Nepheline (NaAlSiO4) - Malinkoite (NaBSiO4) Join." Geochimica et Cosmochimica Acta 74:2634-2654.  doi:10.1016/j.gca.2009.09.006
  • Shaw WJ, ME Bowden, AJ Karkamkar, CJ Howard, DJ Heldebrant, NJ Hess, JC Linehan, and T Autrey. 2010. "Characterization of a New Phase of Ammonia Borane." Energy & Environmental Science 3(6):796-804. 
  • Tarasevich BJ, AS Lea, and WJ Shaw. 2010. "The leucine rich amelogenin protein (LRAP) adsorbs as monomers or dimers onto surfaces." Journal of Structural Biology 169(3):266-276 . 

2009

  • Tarasevich BJ, AS Lea, W Bernt, MH Engelhard, and WJ Shaw. 2009. "Adsorption of Amelogenin onto Self-Assembled and Fluoroapatite Surfaces." Journal of Physical Chemistry B 113(7):1833-1842. 
  • Tarasevich BJ, AS Lea, W Bernt, MH Engelhard, and WJ Shaw. 2009. "Changes in the quaternary structure of amelogenin when adsorbed onto surfaces." Biopolymers 91(2):103-107.  doi:10.1002/bip.21095
  • Yang JY, RM Bullock, WJ Shaw, B Twamley, K Fraze, M Rakowski DuBois, and DL DuBois. 2009. "Mechanistic Insights into Catalytic H2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base." Journal of the American Chemical Society 131(16):5935-5945. 

2008

  • Shaw WJ, and KF Ferris. 2008. "Structure, Orientation and Dynamics of the C-Terminal Hexapeptide of LRAP Determined Using Solid State NMR." Journal of Physical Chemistry B 112(51):16975-16981. 
  • Shaw WJ, KF Ferris, BJ Tarasevich, and JL Larson. 2008. "The structure and orientation of the C-terminus of LRAP." Biophysical Journal 94(8):3247-3257.  doi:10.1529/biophysj.107.119636
  • Buchko GW, JG Bekhazi, JR Cort, NB Valentine, ML Snead, and WJ Shaw. 2008. "1H, 13C, and 15N resonance assignments of murine amelogenin, an enamel biomineralization protein. ." Biomolecular NMR Assignments 2(1):89-91. 
  • Buchko GW, BJ Tarasevich, JG Bekhazi, ML Snead, and WJ Shaw. 2008. "A Solution NMR Investigation into the Early Events of Amelogenin Nanosphere Self-Assembly Initiated with Sodium Chloride or Calcium Chloride." Biochemistry 47(50):13215-13222.  doi:10.1021/bi8018288
  • Cho HM, WJ Shaw, VM Parvanov, GK Schenter, AJ Karkamkar, NJ Hess, CJ Mundy, SM Kathmann, JA Sears, Jr, AS Lipton, PD Ellis, and T Autrey. 2008. "Molecular Structure and Dynamics in the Low Temperature (Orthorhombic) Phase of NH3BH3." Journal of Physical Chemistry A 112(18):4277-4283. 
  • Icenhower JP, BP McGrail, WJ Shaw, EM Pierce, P Nachimuthu, DK Shuh, EA Rodriguez, and JL Steele. 2008. "Experimentally determined dissolution kinetics of Na-rich borosilicate glass at far from equilibrium conditions: Implications for Transition State Theory." Geochimica et Cosmochimica Acta 72(12):2767-2788.  doi:10.1016/j.gca.2008.02.026
  • Pierce EM, EA Rodriguez, LJ Calligan, WJ Shaw, and BP McGrail. 2008. "An Experimental Study of the Dissolution Rates of Simulated Aluminoborosilicate Waste Glasses as a Function of pH and Temperature under Dilute Conditions." Applied Geochemistry 23(9):2559-2573.  doi:10.1016/j.apgeochem.2008.05.006
  • Shaw WJ, Y Chen, JL Fulton, JC Linehan, A Gutowska, and TE Bitterwolf. 2008. "Structural Evolution of a Recoverable Rhodium Hydrogenation Catalyst." Journal of Organometallic Chemistry 693(12):2111-2118.  doi:10.1016/j.jorganchem.2008.03.011
  • Shaw WJ, JC Linehan, NK Szymczak, DJ Heldebrant, CR Yonker, DM Camaioni, RT Baker, and T Autrey. 2008. "In Situ Multinuclear NMR Spectroscopic Studies of the Thermal Decomposition of Ammonia Borane in Solution." Angewandte Chemie International Edition 47(39):7493-7496.  doi:10.1002/anie.200802100
  • Xiong Z, CK Yong, G Wu, P Chen, WJ Shaw, AJ Karkamkar, T Autrey, MO Jones, S Johnson, P Edwards, and B David. 2008. "High-capacity hydrogen storage in lithium and sodium amidoboranes." Nature Materials 7(2):138-141.  doi:10.1038/nmat2081
  • Xiong Z, YS Chua, G Wu, WL Xu, P Chen, WJ Shaw, AJ Karkamkar, JC Linehan, TD Smurthwaite, and T Autrey. 2008. "Interaction of Lithium Hydride and Ammonia Borane in THF ." Chemical Communications 43:5595-5597.  doi:10.1039/b812576g

2007

  • Goobes R, G Goobes, WJ Shaw, GP Drobny, CT Campbell, and P Stayton. 2007. "Thermodynamic Roles of Basic Amino Acids in Statherin Recognition of Hydroxyapatite." Biochemistry 46(16):4725-4733.  doi:10.1021/bi602345a
  • Sepehri S, AM Feaver, WJ Shaw, CJ Howard, Q Zhang, T Autrey, and G Cao. 2007. "Spectroscopic Studies of Dehydrogenation of Ammonia Borane in Carbon Cryogel." Journal of Physical Chemistry B 111(51):14285-14289.  doi:10.1021/jp077057t
  • Stowe AC, WJ Shaw, JC Linehan, B Schmid, and T Autrey. 2007. "In situ solid state B-11 MAS-NMR studies of the thermal decomposition of ammonia borane: mechanistic studies of the hydrogen release pathways from a solid state hydrogen storage material." Physical Chemistry Chemical Physics. PCCP 9(15):1831-1836.  doi:10.1039/b617781f
  • Tarasevich BJ, CJ Howard, JL Larson, ML Snead, J Simmer, ML Paine, and WJ Shaw. 2007. "The Nucleation and growth of Calcium Phosphate by Amelogenin." Journal of Crystal Growth 304(2):407-415. 

2005

  • Gutowska A, L Li, Y Shin, CM Wang, XS Li, JC Linehan, RS Smith, BD Kay, BA Schmid, WJ Shaw, MS Gutowski, and T Autrey. 2005. "Nano-Scaffold Mediates Hydrogen Release and Reactivity of Ammonia Borane." Angewandte Chemie International Edition 44(23):3578-3582. 
  • Shaw WJ, JC Linehan, A Gutowska, DJ Newell, TE Bitterwolf, JL Fulton, Y Chen, and CF Windisch, Jr. 2005. "Synthesis and Characterization of a Recoverable Rhodium Catalyst with a Stimulus Sensitive Polymer Ligand." Inorganic Chemistry Communications 8(10):894-896. 

2004

  • Shaw WJ, AA Campbell, ML Paine, and M Snead. 2004. "The COOH terminus of the amelogenin, LRAP, is oriented next to the hydroxyapatite surface." Journal of Biological Chemistry 279(39):40263-40266.  doi:10.1074/jbc.C400322200
  • Drobny GP, JR Long, T Karlsson, WJ Shaw, JM Popham, N Oyler, PM Bower, J Stringer, D Gregory, M Mehta, and PS Stayton. 2004. "STRUCTURAL STUDIES OF BIOMATERIALS USING DOUBLE-QUANTUM SOLID-STATE NMR SPECTROSCOPY." In Annual Review of Physical Chemistry, vol. 54, pp. 531-571.  Annual Reviews, Palo Alto, CA. 
  • Franz JA, WJ Shaw, CN Lamb, T Autrey, DS Kolwaite, DM Camaioni, and MS Alnajjar. 2004. "Absolute Rate Constants for Reactions of Tributylstannyl Radicals with Bromoalkanes, Episulfides, and alpha-Halomethyl-Episulfides, -Cyclopropanes, and -Oxiranes: New Rate Expressions for Sulfur and Bromine Atom Abstraction." Journal of Organic Chemistry 69(4):1020-1027. 
  • Fryxell GE, H Wu, Y Lin, WJ Shaw, JC Birnbaum, JC Linehan, Z Nie, KM Kemner, and S Kelly. 2004. "Lanthanide Selective Sorbents: Self-Assembled Monolayers on Mesoporous Supports (SAMMS) ." Journal of Materials Chemistry 14(22):3356-3363. 
  • Fryxell GE, H Wu, Y Lin, WJ Shaw, JC Birnbaum, JC Linehan, Z Nie, KM Kemner, and S Kelly. 2004. "Lanthanide Selective Sorbents: Self-Assembled Monolayers on Mesoporous Supports (SAMMS)." Journal of Materials Chemistry 14(22):3356-3363. 
  • Pierce EM, BP McGrail, EA Rodriguez, HT Schaef, P Saripalli, RJ Serne, KM Krupka, PF Martin, SR Baum, KN Geiszler, LR Reed, and WJ Shaw. 2004. Waste Form Release Data Package for the 2005 Integrated Disposal Facility Performance AssessmentPNNL-14805, Pacific Northwest National Laboratory, Richland, WA. 
  • Shaw WJ, P Kandandarachchi, JA Franz, and T Autrey. 2004. "Spectroscopic Studies of Tributylstannyl Radical. Rates of Formation, Termination and Abstraction Determined by Transient Absorption Spectroscopy." Organometallics 23(9):2080-2086. 

2003

  • Stayton PS, GP Drobny, WJ Shaw, JR Long, and MR Gilbert. 2003. "Molecular Recognition at the Protein-Hydroxyapatite Interface." Critical Reviews in Oral Biology And Medicine 14(5):370-376. 
  • Wang W, JJ Han, LQ Wang, LS li, WJ Shaw, and AD Li. 2003. "Dynamic pi-pi stacked molecular assemblies emit from green to red colors ." Nano Letters 3(4):455-458. 

2002

  • Birnbaum JC, BJ Busche, Y Lin, WJ Shaw, and GE Fryxell. 2002. "Synthesis of Carbamoylphosphonate Silanes for the Selective Sequestration of Actinides." Chemical Communications 13:1374-1375. 
  • Drobny GP, JR Long, WJ Shaw, ML Cotten, and PS Stayton. 2002. "Structure and Dynamics of Proteins Adsorbed to Biomaterial Interfaces." In Encyclopedia of Nuclear Magnetic Resonance, vol. 9, ed. David M Grant & Robin K Harris, pp. 458-468.  Wiley, New York, NY. 
  • Hoitink DJ, KW Burk, JV Ramsdell, III, and WJ Shaw. 2002. Hanford Site Climatological Data Summary 2001 with Historical DataPNNL-13859, Pacific Northwest National Laboratory, Richland, WA. 

2001

  • Camaioni DM, JT Bays, WJ Shaw, JC Linehan, and JC Birnbaum. 2001. "Radical and Non-Radical Mechanisms for Alkane Oxidations by Hydrogen Peroxide-Trifluoroacetic Acid." Journal of Organic Chemistry 66(3):789-795.  doi:10.1021/jo005617d
  • Long J, WJ Shaw, P Stayton, and G Drobny. 2001. "Structure and Dynamics of Hydrated Statherin on Hydroxyapatite As Determined by Solid-State NMR." Biochemistry 40(51):15451-15455. 

2000

  • Shaw WJ, JR Long, AA Campbell, PS Stayton, and GP Drobny. 2000. "A Solid State NMR Study of Dynamics in a Hydrated Salivary Peptide Adsorbed to Hydroxyapatite." Journal of the American Chemical Society 122(29):7118-7119. 
  • Shaw WJ, JR Long, JL Dindot, AA Campbell, PS Stayton, and GP Drobny. 2000. "Determination of Statherin N-Terminal Peptide Conformation on Hydroxyapatite Crystals ." Journal of the American Chemical Society 122(8):1709-1716. 

Fundamental & Computational Sciences

User Facilities

Research Areas

Divisions

Research Highlights

View All Research Highlights & Staff Accomplishments

RSS Feed

Contacts