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Publications

 

  • Madden, J. T.; Toth, S. J.; Dettmar, C. M.; Newman, J. A.; Simpson G. J. et al. “Integrated Nonlinear Optical Imaging Microscope for On-axis Crystal Detection and Centering at a Synchrotron Beamline.” Submitted.

  • Hsu, H. Y.; Toth, S.; Simpson, G. J.; Taylor, L. S.; Harris, M. T., Effect of substrates on naproxen-polyvinylpyrrolidone solid dispersions formed via the drop printing technique. J. Pharm. Sci. 2013, 102 (2), 638-48.

  • DeWalt, E. L.; Begue, V. J.; Ronau, J. A.; Sullivan, S. Z.; Das, C.; Simpson, G. J., Polarization-resolved second-harmonic generation microscopy as a method to visualize protein-crystal domains. Acta.Crystallogr. D Biol. Crystallogr. 2013, 69 (Pt 1), 74-81.

  • Zhu, Q.; Toth, S. J.; Simpson, G. J.; Hsu, H.-Y.; Taylor, L. S.; Harris, M. T., Crystallization and Dissolution Behavior of Naproxen/Polyethylene Glycol Solid Dispersions. J. Phys. Chem. B 2013.

  • Kissick, D. J.; Dettmar, C. M.; Becker, M.; Mulichak, A. M.; Cherezov, V.; Ginell, S. L.; Battaile, K.; Keefe, L.; Fischetti, R. F.; Simpson G. J. “Towards Protein Crystal Centering Using Second Order Nonlinear Optical Imaging of Chiral Crystals (SONICC)” 2013. Accepted.

  • Kestur, U. S.; Wanapun, D.; Toth, S. J.; Wegiel, L. A.; Simpson, G. J.; Taylor, L. S., Nonlinear optical imaging for sensitive detection of crystals in bulk amorphous powders. J. Pharm. Sci. 2012, 101 (11), 4201-13.

  • Haupert, L. M.; DeWalt, E. L.; Simpson, G. J.; et al. (2012). "Modeling the SHG activities of diverse protein crystals." Acta. Crystallogr. D Biol. Crystallogr. 2012. 68(Pt 11): 1513-1521.

  • Toth, S. J.; Madden, J. T.; Taylor, L. S.; Marsac, P.; Simpson, G. J., Selective Imaging of Active Pharmaceutical Ingredients in Powdered Blends with Common Excipients Utilizing Two-Photon Excited Ultraviolet-Fluorescence and Ultraviolet-Second Order Nonlinear Optical Imaging of Chiral Crystals. Anal. Chem. 2012, 84 (14), 5869-5875. (Cover article; also highlighted in Chem. & Eng. News)

  • Muir, R. D.; Kissick, D. J.; Simpson, G. J., Statistical connection of binomial photon counting and photon averaging in high dynamic range beam-scanning microscopy. Optics express 2012, 20 (9), 10406-15.

  • Haupert, L.; Simpson, G. J. “Screening of Protein Crystallization Trials by Second Order Nonlinear Optical Imaging of Chiral Crystals (SONICC)” Methods 2011, 55, 379-386.

  • Haupert, L.; Simpson, G. J.; Slipchenko, L. “Computational Investigation of Amine-Oxygen Exciplex Formation” J. Phys. Chem. A.2011, 115, 10159-10165.

  • Madden, J. T.; DeWalt, E. L.; Simpson, G. J. “Two-Photon Excited UV-Fluorescence for Protein Crystal Detection” Acta Crystallographica D 2011, D67, 839-846.

  • Kissick, D. J.; Wanapun, D.; Simpson, G. J. “Second Order Nonlinear Optical Imaging of Chiral Crystals (SONICC)” Ann. Rev. Anal. Chem. 2011, 4, 419-37.

  • Gualtieri, E. J.; Guo, F; Kissick, D. J.; Jose, J.; Kuhn, R. J.; Jiang, W.; Simpson, G. J.,  Detection of Membrane Protein Two-Dimensional Crystals in Living Cells. Biophysical Journal. 2011, 100, 207-214.

  • Madden, J. T.; Hall, V. J.; Simpson, G. J., Mining the Polarization-Dependence of Nonlinear Optical Measurements. Analyst. 2011, 136(4), 652-62.

  • Kissick, D. J.; Muir, R. D.; Simpson, G. J., Statistical Treatment of Photon/Electron Counting: Extending the Linear Dynamic Range from the Dark Count Rate to Saturation. Anal. Chem. 2010, 82(24), 10129-34.

  • Hall, V. J.; Simpson, G. J., Direct Observation of Transient Ostwald Crystallization Ordering from Racemic Serine Solutions. Journal of the American Chemical Society. 2010, 132, 13598-13599.

  • Wanapun, D.; Kestur, U. S.; Simpson, G. J.; Taylor, L. “Selective Detection and Quantitation of Organic Molecule Crystallization by Second Harmonic Generation Microscopy” Accelerated Article, Anal. Chem. 2010, 82, 5425–5432 (Highlighted in Chem. & Eng. News).

  • Kissick, D. J.; Gualtieri, E. J.; Simpson, G. J.; Cherezov, V., Nonlinear optical imaging of integral membrane proteins in lipidic mesophases. Anal. Chem. 2010, 82(2), 491-497.

  • Begue, N. J.; Simpson, G. J.; Chemically selective analysis of molecular monolayers by Nonlinear Optical Stokes Ellipsometry. Anal. Chem. 2010, 82(2), 559-556.

  • Begue, N. J.; Moad, A. J.; Simpson, G. J., Nonlinear Optical Stokes Ellipsometry I: Theoretical Framework. J. Phys. Chem. C 2009, 113, 23, 10158.

  • Begue, N. J.; Everly, R. M.; Hall, V. J.; Haupert, L.; Simpson, G. J., Nonlinear Optical Stokes Ellipsometry II: Experimental Demonstration. J. Phys. Chem. C 2009, 113, 23, 10166.

  • Haupert, L. M.; Simpson, G. J., Chirality in nonlinear optics. Annual Review of Physical Chemistry 2009, 60, 345-365.

  • Gualtieri, E. J.; Haupert, L. M.; Simpson, G. J., Interpreting nonlinear optics of biopolymers: Finding a hook. Chemical Physics Letters 2008, 465, 167-174.

  • Wampler, R. D.; Kissick, D. J.; Dehen, C. J., Gualtieri, E. J.; Grey, J. L.; Wang, H.; Thompson, D. H.; Cheng, J.; Simpson, G.J., Selective detection of protein crystals by second harmonic microscopy. Journal of American Chemical Society 2008, 130, 14076-14077.

  • Wampler, R. D.; Begue, N. J.; Simpson, G. J., Molecular design strategies for optimizing the nonlinear optical properties of chiral crystals. Crystal Growth & Design 2008, 8, (8), 2589-2594.

  • Wanapun, D.; Wampler, R. D.; Begue, N. J.; Simpson, G. J., Polarization-dependent two-photon absorption for the determination of protein secondary structure: A theoretical study. Chemical Physics Letters 2008, 455, (1-3), 6-12.

  • Cheng, X. G.; Gurkan, U. A.; Dehen, C. J.; Tate, M. P.; Hillhouse, H. W.; Simpson, G. J.; Akkus, O., An electrochemical fabrication process for the assembly of anisotropically oriented collagen bundles. Biomaterials 2008, 29, (22), 3278-3288.

  • Davis, R. P.; Moad, A. J.; Goeken, G. S.; Wampler, R. D.; Simpson, G. J., Selection rules and symmetry relations for four-wave mixing measurements of uniaxial assemblies. Journal of Physical Chemistry B 2008, 112, (18), 5834-5848.

  • Halter, M.; Liao, Y.; Plocinik, R. M.; Coffey, D. C.; Bhattacharjee, S.; Mazur, U.; Simpson, G. J.; Robinson, B. H.; Keller, S. L., Molecular self-assembly of mixed high-beta zwitterionic and neutral ground-state NLO chromophores. Chemistry of Materials 2008, 20, (5), 1778-1787.

  • Hilton, A. M.; Jacobson, K. W.; Lynch, B. P.; Simpson, G. J., Enhanced local oxidation of silicon using a conducting atomic force microscope in water. Journal of Vacuum Science & Technology B 2008, 26, (1), 47-51.

  • Zhu, H.; Coleman, D. M.; Dehen, C. J.; Geisler, I. M.; Zemlyanov, D.; Chmielewski, J.; Simpson, G. J.; Wei, A., Assembly of dithiocarbamaten-anchored monolayers on gold surfaces in aqueous solutions. Langmuir 2008, 24, (16), 8660-8666.

  • Wampler, R. D.; Moad, A. J.; Moad, C. W.; Heiland, R.; Simpson, G. J., Visual methods for interpreting optical nonlinearity at the molecular level. Accounts of Chemical Research 2007, 40, (10), 953-960.

  • Moad, A. J.; Moad, C. W.; Perry, J. M.; Wampler, R. D.; Goeken, G. S.; Begue, N. J.; Shen, T.; Heiland, R.; Simpson, G. J., NLOPredict: Visualization and data analysis software for nonlinear optics. Journal of Computational Chemistry 2007, 28, (12), 1996-2002.

  • Dehen, C. J.; Everly, R. M.; Plocinik, R. M.; Hedderich, H. G.; Simpson, G. J., Discrete retardance second harmonic generation ellipsometry. Review of Scientific Instruments 2007, 78, (1), 013106/1-013106/7.

  • Wampler, R. D.; Zhou, M.; Thompson, D. H.; Simpson, G. J., Mechanism of the Chiral SHG Activity of Bacteriorhodopsin Films. Journal of the American Chemical Society 2006, 128, (34), 10994-10995.

  • Lynch, B. P.; Hilton, A. M.; Simpson, G. J., Nanoscale dielectrophoretic spectroscopy of individual immobilized mammalian blood cells. Biophysical Journal 2006, 91, (7), 2678-2686.

  • Hilton, A. M.; Lynch, B. P.; Simpson, G. J., Dielectrophoretic force microscopy. American Laboratory (Shelton, CT, United States) 2006, 38, (8), 23-25.

  • Simpson, G. J.; Dailey, C. A.; Plocinik, R. M.; Moad, A. J.; Polizzi, M. A.; Everly, R. M., Direct Determination of Effective Interfacial Optical Constants by Nonlinear Optical Null Ellipsometry of Chiral Films. Analytical Chemistry 2005, 77, (1), 215-224.

  • Polizzi, M. A.; Plocinik, R. M.; Simpson, G. J., Ellipsometric approach for the real-time detection of label-free protein adsorption by second harmonic generation. [Erratum to document cited in CA140:371406]. Journal of the American Chemical Society 2005, 127, (3), 1058.

  •  Plocinik, R. M.; Everly, R. M.; Moad, A. J.; Simpson, G. J., Modular ellipsometric approach for mining structural information from nonlinear optical polarization analysis. Physical Review B: Condensed Matter and Materials Physics 2005, 72, (12), 125409/1-125409/14.

  • Perry, J. M.; Moad, A. J.; Begue, N. J.; Wampler, R. D.; Simpson, G. J., Electronic and Vibrational Second-Order Nonlinear Optical Properties of Protein Secondary Structural Motifs. Journal of Physical Chemistry B 2005, 109, (42), 20009-20026.

  • Moad, A. J.; Simpson, G. J., Self-Consistent Approach for Simplifying the Molecular Interpretation of Nonlinear Optical and Multiphoton Phenomena. Journal of Physical Chemistry A 2005, 109, (7), 1316-1323.

  • Hilton, A. M.; Lynch, B. P.; Simpson, G. J., Reduction of Tip-Sample Contact Using Dielectrophoretic Force Scanning Probe Microscopy. Analytical Chemistry 2005, 77, (24), 8008-8012.

  • Simpson, G. J.; Plocinik, R. M., Exploiting polarization in nonlinear optical surface spectroscopy. Proceedings of SPIE-The International Society for Optical Engineering 2004, 5510, (Monophotonic Materials), 97-106.

  • Simpson, G. J.; Perry, J. M.; Moad, A. J.; Wampler, R. D., Uncoupled oscillator model for interpreting second harmonic generation measurements of oriented chiral systems. Chemical Physics Letters 2004, 399, (1-3), 26-32.

  • Simpson, G. J., Molecular origins of the remarkable chiral sensitivity of second-order nonlinear optics. ChemPhysChem 2004, 5, (9), 1301-1310.

  • Polizzi, M. A.; Plocinik, R. M.; Simpson, G. J., Ellipsometric approach for the real-time detection of label-free protein adsorption by second harmonic generation. Journal of the American Chemical Society 2004, 126, (15), 5001-5007.

  • Moad, A. J.; Simpson, G. J., A Unified Treatment of Selection Rules and Symmetry Relations for Sum-Frequency and Second Harmonic Spectroscopies. Journal of Physical Chemistry B 2004, 108, (11), 3548-3562.

  • Dailey, C. A.; Burke, B. J.; Simpson, G. J., The general failure of Kleinman symmetry in practical nonlinear optical applications. Chemical Physics Letters 2004, 390, (1-3), 8-13.

  • Plocinik, R. M.; Simpson, G. J., Polarization characterization in surface second harmonic generation by nonlinear optical null ellipsometry. Analytica Chimica Acta 2003, 496, (1-2), 133-142.

  • Burke, B. J.; Moad, A. J.; Polizzi, M. A.; Simpson, G. J., Experimental Confirmation of the Importance of Orientation in the Anomalous Chiral Sensitivity of Second Harmonic Generation. Journal of the American Chemical Society 2003, 125, (30), 9111-9115.

  • Simpson, G. J.; Perry, J. M.; Ashmore-Good, C. L., Molecular and surface hyperpolarizability of oriented chromophores of low symmetry. Physical Review B: Condensed Matter and Materials Physics 2002, 66, (16), 165437/1-165437/10.

  • Simpson, G. J.; Ashmore-Good, C. L.; Perry, J. M.; Plocinik, R. M., Nonlinear optics of oriented chiral systems. Trends in Optics and Photonics 2002, 79, (Nonlinear Optics), 348-350.

  • Simpson, G. J., Structural origins of circular dichroism in surface second harmonic generation. Journal of Chemical Physics 2002, 117, (7), 3398-3410.

  • Simpson, G. J., New tools for surface second-harmonic generation. Applied Spectroscopy 2001, 55, (1), 16A-32A.

 

 
 
 

 

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