Center for Structural Molecular Biology

An OBER funded User Facility for Neutron-based Analysis of Bio-Molecular Structures and Function at the Oak Ridge National Laboratory

Neutron-based analysis of biomolecular structure, dynamics and function

Neutons for Biology: Structure, Dynamics and Function

Publications from Research Conducted with CSMB

Bio-SANS Publications

  1. W. T. Heller, G. W. Lynn, V. S. Urban, K. Weiss, and D. A. A. Myles, “The bio-SANS Small-angle neutron scattering instrument at Oak Ridge National Laboratory,” Neutron News 19 (2), 22-23 (2008).
  2. M. H. Alkhatib, D. G. Hayes, and V. S. Urban, “Characterization of microemulsion systems formed by a mixed 1,3-dioxolane ethoxylate/octyl glucoside surfactant system,” Journal of Surfactants and Detergents 12, 277-283 (2009).
  3. G. A. Baker and W. T. Heller, “Small-angle neutron scattering studies of model protein denaturation in aqueous solutions of the ionic liquid 1-Butyl-3-methylimidazolium chloride,” Chemical Engineering Journal 147 (1), 6-12 (2009).
  4. M. B. Cardoso, D. Smolensky, W. T. Heller and H. O’Neill, “Insight into the structure of light-harvesting complex II and its stabilization in detergent solution” Journal of Physical Chemistry B 113 (51), 16377–16383 (2009).
  5. G. Luo, Q. Zhang, A. R. Del Castillo, V. Urban and H. O’Neill, “Characterization of sol gel-encapsulated proteins using small-angle neutron scattering” ACS Applied Materials & Interfaces 1 (10), 2262- 2268 (2009).
  6. Cardoso M. B., Smolensky D., Heller W. T., O’Neill H., “Investigation of detergent effects on the solution structure of spinach Light Harvesting Complex II” Journal of Physics: Conference Series 251, 12041 (2010).
  7. Kent M. S., Cheng G., Murton J. K., Carles E. L., Dibble D. C., Zendejas F., Rodriquez M. A., Tran H., Holmes B., Simmons B. A., Knierim B., Auer M., Banuelos J. L., Urquidi J., Hjelm R. P., “Study of enzymatic digestion of cellulose by small angle neutron scattering” Biomacromolecules 11, 357-368 (2010).
  8. He L., Piper A., Meilleur F., Myles D. A. A., Hernandez R., Brown D. T., Heller W. T., “The structure of Sindbis virus produced from vertebrate and invertebrate hosts determined by small-angle neutron scattering” Journal of Virology 84, 5270-5276 (2010).
  9. S. V. Pingali, V. S. Urban, W. T. Heller, J. McGaughey, H. O’Neill, M. Foston, D. A. Myles, A. Ragauskas, and B. R. Evans, “Breakdown of cell wall nanostructure in dilute acid pretreated biomass,” Biomacromolecules 11 (9), 2329-2335 (2010).
  10. Cardoso M. B., Luckarift H. R., Urban V. S., O’Neill H., Johnson G. R., “Protein localization in silica nanospheres derived via biometric mineralization,” Advanced Functional Materials 20, 3031-3038 (2010).
  11. Tang K. H., Urban V. S., Wen J., Xin Y., Blankenship R. E., “SANS investigation of the photosynthetic machinery of Chloroflexus aurantiacus,” Biophysical Journal 99, 2398-2407 (2010).
  12. Pingali S. V., Urban V. S., Heller W. T., McGaughey J., O’Neill H. M., Foston M., Myles D. A., Ragauskas A. J., Evans B. R., “SANS study of cellulose extracted from switchgrass,” Acta Crystallographica D 66, 1189–1193 (2010).
  13. Heller W. T., O’Neill H. M., Zhang Q., Baker G. A., “Characterization of the influence of the ionic liquid 1-Butyl-3-methylimidazolium chloride on the structure and thermal stability of green fluorescent protein,” Journal of Physical Chemistry B 114, 13866-13871 (2010).
  14. Liu X., Abbott N. L., “Characterization of the nanostructure of complexes formed by single- or double- stranded oligonucleotides with a cationic suractant,” Journal of Physical Chemistry B 114, 15554-15564 (2010).
  15. Gomez del Rio J., Hayes D. G., Urban V. S., “Partitioning behavior of an acid-cleavable, 1,3-dioxolane alkyl ethoxylate, surfactant in single and binary surfactant mixtures for 2- and 3-phase microemulsion systems according to ethoxylate head group size,” Journal of Colloid and Interface Science 352, 424-435 (2010).
  16. Heldt C. L., Sorci M., Posada D., Hirsa A., Belfort G., “Detection and reduction of microaggregates in insulin preparations,” Biotechnology and Bioengineering 108, 237-241 (2010).
  17. Cardoso M. B., Smolensky D., Heller W. T., Hong K., O’Neill H., “Supramolecular assembly of biohybrid photoconversion systems,” Energy & Environmental Science 4, 181-188 (2011).
  18. Chaudhuri B. N., Gupta S., Urban V. S., Chance M. R., D’’Mello R., Smith L., Lyons K., Gee J., “A combined global and local approach to elucidate spatial organization of the mycobacterial ParB-parS partition assembly,” Biochemistry 50, 1799-1807 (2011).”
  19. Richter A. G., Dergunov S. A., Ganus B., Thomas Z., Pingali S. V., Urban V., Liu Y., Porcar L., Pinkhassik E., “Scattering studies of hydrophobic monomers in liposomal bilayers: an expanding shell model of monomer distribution,” Langmuir 27, 3792-3797 (2011).”
  20. Lee C. C., Sun Y., Qian S., Huang H. W., “Transmembrane pores formed by human antimicrobial peptide LL-37,” Biophysical Journal 100, 1688-1696 (2011).”
  21. Tang K. H., Zhu L., Urban V. S., Collins A. M., Biswas P., Blankenship R. E., “Temperature and ionic strength effects on the chlorosome light-harvesting antenna complex,” Langmuir 27, 4816-4828 (2011).
  22. Stanley C. B., Perevozchikova T., Berthelier V., “Structural formation of Huntingtin Exon 1 aggregates probed by small-angle neutron scattering,” Biophysical Journal 100, 2504-2512 (2011).
  23. Heldt C. L., Kurouski D., Sorci M., Grafeld E., Lednev I. K., Belfort G., “Isolating toxic insulin amyloid reactive species that lack β-sheets and have wide pH stability,” Biophysical Journal 100, 2792-2800 (2011).
  24. Petridis L., Pingali S. V., Urban V., Heller W. T., O’Neil H. M., Foston M., Ragauskas A., Smith J. C., “Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation,” Physical Review E 83, 61911 (2011).
  25. Qian S., Heller W. T., “Peptide-induced asymmetric distribution of charged lipids in a vesicle bilayer revealed by small-angle neutron scattering,” Journal of Physical Chemistry B 115, 9831-9837 (2011).
  26. Sai Venkatesh Pingali, Hugh M. O’Neill, Joseph McGaughey, Volker S. Urban, Caroline S. Rempe, Loukas Petridis , Jeremy C. Smith , Barbara R. Evans, and William T. Heller, “Small Angle Neutron Scattering Reveals pH-dependent Conformational Changes in Trichoderma reesei Cellobiohydrolase I”, Journal of Biological Chemistry 286, 32801–32809, (2011)
  27. Kukerka N., Nieh M. P., Katsaras J., “Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature,”Biochimica et Biophysica Acta- Biomembranes 1808, 2761-2771 (2011)
  28. S. Tekobo, A. G. Richter, S. A. Dergunov, S. V. Pingali, V. S. Urban, B. Yan, and E. Pinkhassik, “Synthesis, characterization, and controlled aggregation of biotemplated polystyrene nanodisks”, J Nanopart Res (2011) 13, 6427-6437
  29. Kuo-Hsiang Tang and Robert E. Blankenship, “Neutron and light scattering studies of light-harvesting photosynthetic antenna complexes”, Photosynthesis Research, DOI: 10.1007/s11120-011-9665-x
  30. Dmitri Satsoura, Norbert Kûcerka, Sanjeevan Shivakumar, Jeremy Pencer, Corrie Griffiths, Brian Leber, David W. Andrews, John Katsaras, and Cécile Fradin, “Interaction of the full-length BAX protein with biomimetic mitochondrial liposomes: A small-angle neutron scattering and fluorescence study,” BBA–Biomembranes (2012) 1818, 384–401
  31. Marie Z. Markarian, Haifa H. Hariri, Andreas Reisch, Volker S. Urban, and Joseph B. Schlenoff, “A Small-Angle Neutron Scattering Study of the Equilibrium Conformation of Polyelectrolytes in Stoichiometric Saloplastic Polyelectrolyte Complexes” Macromolecules (2012), 45, 1016–1024
  32. A. Luk, N. S. Murthy, W. Wang, R. Rojas, and J. Kohn, “Study of nanoscale structures in hydrated biomaterials using small-angle neutron scattering,” Acta Biomaterialia, In Press, Accepted Manuscript, doi:10.1016/j.actbio.2011.12.026.
  33. He, L. L., Piper, A., Meilleur, F., Hernandez, R., Heller, W. T., Brown, D. T., “Conformational Changes in Sindbis Virus Induced by Decreased pH Revealed by Small-Angle Neutron Scattering,” J. Virol. (2012) 86, 1982-1987

Peer-Reviewed CSMB Publications

  1. E. Mamontov, H. O’Neill, Q. Zhang, W. Wang and D. J. Wesolowski, (2012) “Common features in the microscopic dynamics of hydration water on organic and inorganic surfaces,” Journal of Physics: Condensed Matter 24, 064104
  2. Chu, Xiang-qiang, Mamontov, Eugene, O’Neill, Hugh, Zhang, Qiu “Apparent Decoupling of the Dynamics of a Protein from the Dynamics of its Aqueous Solvent” (2012) Journal of Physical Chemistry Letters, 3 , 380–385
  3. Munshi P, Chung SL, Blakeley MP, Weiss KL, Myles DA, Meilleur F. “Rapid visualization of hydrogen positions in protein neutron crystallographic structures” (2012) Acta Crystallogr D Biol Crystallogr., 68, 35-41
  4. Marcus B. Foston, Joseph McGaughey, Hugh O’Neill, Barbara R. Evans, and Arthur Ragauskas “Deuterium incorporation in biomass cell wall components by NMR analysis” (2012) Analyst 137, 1090-1093
  5. Clifton L.A., Johnson C.L., Solovyova A.S., Callow P., Weiss K.L., Ridley H., le Brun, A.P., Kinane C.J., Webster J.R.P., Holt S.A., and Lakey J.H. “Low resolution structure and dynamics of a Colicin-Receptor complex determined by neutron scattering” (2012) J. Biol. Chem., 287, 337-346
  6. I. P. Samayam, B.L. Hanson, P. Langan, and C. A. Schall (2011) “Ionic-Liquid Induced Changes in Cellulose Structure Associated with Enhanced Biomass Hydrolysis” Biomacromolecules, 12, 3091–3098
  7. S. Venkatesh Pingali, Hugh M. O’Neill, Joseph McGaughey, Volker S. Urban, Dean A. A. Myles, Loukas Petridis, Jeremy C. Smith, Barbara R. Evans, and William T. Heller (2011) “Small-angle neutron scattering reveals a pH-dependent conformational change in cellobiohydrolase I” J. Biol. Chem. 286, 32801-32809
  8. Veronika Kozlovskaya, John F. Ankner, Hugh O’Neill, Qiu Zhang and Eugenia Kharlampieva, (2011) “Stratified bio-hybrid polymer films with localized GFP probed with Neutron reflectivity” Soft Matter, 7, 11453-11463
  9. Borreguero J.M., He J., Meilleur F., Weiss K.L., Brown C.M., Myles D., Herwig K.W., Agarwal P.K. “Redox-Promoting Protein Motions in Rubredoxin” (2011) J Phys Chem B., 115, 8925-8936
  10. Tomanicek S.J., Wang K.K., Weiss K.L, Blakeley M.P., Cooper J., Chen Y., Coates L. “The active site protonation states of perdeuterated Toho-1 β-lactamase determined by neutron diffraction support a role for Glu166 as the general base in acylation” (2011) FEBS Lett., 585, 364-368
  11. Wang, J.; Lu, H.; Kamat, R.; Pingali, S.V.; Urban, V.S.; Cheng, J. and Lin, Y., Supramolecular Polymerization from Polypeptide-Grafted Comb Polymers. J. Am. Chem. Soc., 2011, 133, 12906– 12909
  12. Eugene Mamontov, Hugh O’Neill, Qiu Zhang, David. J. Wesolowski “Common features in microscopic dynamics of hydration water on organic and inorganic surfaces” (2011) Journal of Physics: Condensed Matter, Phys. Rev. E. 83: 061911
  13. Petridis, S.V. Pingali, V. Urban, W.T. Heller, H.M. O’ Neill, M. Foston, A. Ragauskas and J.C. Smith; “Self-Similar Multiscale Structure of Lignin Aggregates Revealed by Neutron Scattering and Molecular Dynamics Simulation” (2011) Physical Review E, Phys. Rev. E. 83: 061911
  14. Mateus B. Cardoso, Dmitriy Smolensky, William T. Heller, Kunlun Hong, and Hugh O’Neill (2011) “Supramolecular Assembly of Biohybrid Photoconversion Systems “Energy and Environmental Science, 4: 181-188
  15. William T. Heller, Hugh M. O’Neill, Qiu Zhang, and Gary A. Baker (2010) “Characterization of the influence of 1-butyl-3-methylimidazolium chloride on the structure and thermal stability of green fluorescent protein” Journal of Physical Chemistry B, 114, 13866–13871
  16. Sai Venkatesh Pingali, Volker S. Urban, William T. Heller, Joseph McGaughey, Hugh M. O’Neill, Marcus Foston, Dean A. Myles, Arthur J. Ragauskas and Barbara R. Evans (2010) “SANS Study of Cellulose Extracted from Switchgrass” Acta Crystallographica section D Biological Crystallography , D66, 1189-1193
  17. Pingali, Sai Venkatesh; Urban, Volker; Heller, William; McGaughey, Joseph; O’Neill, Hugh; Foston, Marcus; Myles, Dean; Ragauskas, Arthur; Evans, Barbara “Structural Insights into Dilute Acid Pretreatment of Switchgrass for Biofuels” Biomacromolecules, 2010, 11(9), 2329–2335
  18. Sandra Davern, C.L. Murphy, H. O’Neill, J.S. Wall, D.T. Weiss, and A. Solomon “Effect of lysine on the stability and cellular binding of human amyloidogenic light chains” (2011) BBA. Molecular Basis for Disease, 1812, 32-40
  19. Mateus B. Cardoso, Heather R. Luckarift, Volker S. Urban, Hugh O’Neill, and Glenn R. Johnson (2010) “Protein Localization in Silica Nanospheres Derived via Biomimetic Mineralization” Advanced Functional Materials, 20(18),3031-3038
  20. Mamontov, E.; O’Neill, H.; and Zhang, Q. Mean-squared atomic displacements in hydrated lysozyme, native and denatured. J. Biological Physics. 2010, 36:3, 291-297.
  21. Mateus B. Cardoso, Dmitriy Smolensky, William T. Heller, Hugh O’Neill (2010) “Investigation of detergent effects on the solution structure of spinach Light Harvesting Complex II”. J. Phys. Conf. Series 251: 012041
  22. He, L.; Piper, A.; Meilleur, F.; Myles, D.A.A.; Hernandez, R.; Brown, D.T.; and Heller, W.T. The structure of Sindbis virus produced from vertebrate and invertebrate hosts as determined by small-angle neutron scattering. J. Virology. 2010, 84:10, 5270-5276.
  23. Gardberg, A.S.; Del Castillo, A.R.; Weiss, K.L.; Meilleur, F.; Blakeley, M.P., and Myles, D.A.A. Unambiguous determination of H-atom positions: Comparing results from neutron and high-resolution X-ray crystallography. Acta Crystallogr. D-Biol. Cryst. 2010, 66:5, 558-567.
  24. Iwuchukwu, I.J.; Vaughn, M.; Myers, N.; O’Neill, H.; Frymier, P.; and Bruce, B.D. Self-organized photosynthetic nanoparticle for cell-free hydrogen production. Nat. Nanotechnol. 2010, 5:1, 73-79.
  25. Cardoso, M.B.; Smolensky, D.; Heller, W.T.; and O’Neill, H. Insight into the structure of light-harvesting complex II and its stabilization in detergent solution. J. Phys. Chem. B. 2009, 113:51, 16377-16383.
  26. Hutchens, S.A.; Benson, R.S.; Evans, B.R.; and O’Neill, H. An exopolysaccharide nanofiber composite for biomedical applications. AATCC Rev. 2009, 9:12, 40-45.
  27. Luo, G.M.; Zhang, Q.; Del Castillo, A.R.; Urban, V.; and O’Neill, H. Characterization of sol-gel-encapsulated proteins using small-angle neutron scattering. ACS Appl. Mater. Interfaces. 2009, 1:10, 2262-2268.
  28. Qiu, X.F.; Howe, J.Y.; Cardoso, M.B.; Polat, O.; Heller, W.T.; and Paranthaman, M.P. Size control of highly ordered Hf02 nanotube arrays and a possible growth mechanism. Nanotechnol. 2009, 20:45, 455601.
  29. Hutchens, S.A.; Benson, R.S.; Evans, B.R.; Rawn, C.J.; and O’Neill, H. A resorbable calcium-deficient hydroxyapatite hydrogel composite for osseous regeneration. Cellulose. 2009, 16:5, 887-898.
  30. Alkhatib, M.H.; Hayes, D.G.; and Urban, V.S. Characterization of microemulsion systems formed by a mixed 1,3-dioxolane ethoxylate/octyl glucoside surfactant system. J. Surfactant Deterg. 2009, 12:3, 277-283.
  31. Greenbaum, E.; Humayun, M.S.; Sanders, C.A.; Close, D.; O’Neill, H.M.; and Evans, B.R. Metabolic prosthesis for oxygenation of ischemic tissue. IEEE Trans. Biomed. Eng. 2009, 56:2, 528-531.
  32. Wilkinson, C.; Lehmann, M.S.; Meilleur, F.; Blakeley M.P.; Myles, D.A.A.; Vogelmeier, S.; Thoms, M.; Walsh, M.; and McIntyre, G.J. Characterization of image plates for neutron diffraction. J. Appl. Crystallogr. 2009 42, 749-757.
  33. Baker, G.A. and Heller, W.T. Small-angle neutron scattering studies of model protein denaturation in aqueous solutions of the ionic liquid 1-butyl-3-methylimidazolium chloride. Chem. Eng. J. 2009, 147:1, Sp. Iss. SI, 6-12.
  34. Gardberg, A.S.; Blakeley, M.P.; and Myles, D.A.A. A preliminary neutron crystallographic study of proteinase K at pD 6.5. Acta Crystallogr. F-Struct. Biol. Cryst. Commun. 2009, 65:2, 184-187.
  35. Quiroz-Valenzuela, S.; Sukuru, S.C.K.; Hausinger, R.P.; Kuhn, L.A., and Heller, W.T. The structure of urease activation complexes examined by flexibility analysis, mutagenesis, and small-angle x-ray scattering. Arch. Biochem. Biophys. 2008, 480:1, 51-57.
  36. Snell, E.H.; Nagel, R.M.; Wojtaszcyk, A.; O’Neill, H.; Wolfley, J.L.; and Luft, J.R. The application and use of chemical space mapping to interpret crystallization screening results. Acta Crystallogr. Sect. D-Biol. Crystallogr. 2008, 64:12, 1240-1249.
  37. Mo, Y.; Lee, B.K.; Ankner, J.F.; Becker, J.M.; and Heller, W.T. Detergent-associated solution conformations of helical and beta-barrel membrane proteins. J. Phys. Chem. B. 2008, 112:42, 13349-13354.
  38. Borole, A.P.; O’Neill, H.; Tsouris, C.; and Cesar, S. A microbial fuel cell operating at low pH using the acidophile acidiphilium cryptum. Biotechnol. Lett. 2008, 30:8, 1367-1372.
  39. Weiss, K.L.; Meilleur, F.; Blakeley, M.P.; and Myles, D.A.A. Preliminary neutron crystallographic analysis of selectively CH3-protonated deuterated rubredoxin from pyrococcus furiosus. Acta Crystallogr. F-Struct. Biol. Cryst. Commun. 2008, 64:6, 537-540.
  40. Teixeira, S.C.M.; Zaccai, G.; Ankner, J.; Bellissent-Funel, M.C.; Bewley, R.; Blakeley, M.P.; Callow, P.; Coates, L.; Dahint, R.; Dalgliesh, R.; Dencher, N.A.; Forsyth, V.T.; Fragneto, G.; Frick, B.; Gilles, R.; Gutberlet, T.; Haertlein, M.; Hauss, T.; Haussler, W.; Heller, W.T.; Herwig, K.; Holderer, O.; Juranyi, F.; Kampmann, R.; Knott, R.; Krueger, S.; Langan, P.; Lechner, R.E.; Lynn, G.; Majkrzak, C.; May, R.P.; Meilleur, F.; Mo, Y.; Mortensen, K.; Myles, D.A.A.; Natali, F.; Neylon, C.; Niimura, N.; Ollivier, J.; Ostermann, A.; Peters, J.; Pieper, J.; Ruhm, A.; Schwahn, D.; Shibata, K.; Soper, A.K.; Strassle, T.; Suzuki, J.; Tanaka, I.; Tehei, M.; Timmins, P.; Torikai, N.; Unruh, T.; Urban, V.; Vavrin, R.; and Weiss, K. New sources and instrumentation for neutrons in biology. Chem. Phys. 2008, 345:2-3, 133-151.
  41. Blakeley, M.P.; Ruiz, F.; Cachau, R.; Hazemann, I.; Meilleur, F.; Mitschler, A.; Ginell, S.; Afonine, P.; Ventura, O.N.; Cousido-Siah, A.; Haertlein, M.; Joachimiak, A.; Myles, D.; and Podjarny, A. Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase. Proc. Natl. Academy of Sciences of the USA. 2008, 105:6, 1844-1848.
  42. Galea, C.A.; Nourse, A.; Wang, Y.; Sivakolundu, S.G.; Heller, W.T.; and Kriwacki, R.W. Role of intrinsic flexibility in signal transduction mediated by the cell cycle regulator, p27(Kip1). J. Mol. Biol. 2008, 376:3, 827-838.
  43. Schmidt, K.; Schoberth, H.G.; Ruppel, M.; Zettl, H.; Hansel, H.; Weiss, T.M.; Urban, V.; Krausch, G.; and Boeker, A. Reversible tuning of a block-copolymer nanostructure via electric fields. Nature Materials. 2008, 7:2, 142-145.
  44. Tjioe, E. and Heller, W.T. ORNL_SAS: Software for calculation of small-angle scattering intensities of proteins and protein complexes. J. Appl. Crystallogr. 2007, 40:4, 782-785.
  45. O’Neill, H.; Heller, W.T.; Helton, K.E.; Urban, V.S.; and Greenbaum, E. Small-angle x-ray scattering study of photosystem I – Detergent complexes: Implications for membrane protein crystallization. J. Phys. Chem. B. 2007, 111:16, 4211-4219.
  46. Parrot, I.M.; Laux, V.; Urban, V.; Haertlein, M.; and Forsyth, V.T. X-rays and neutrons for the study of DNA structure, hydration, and transitions. Physica B-Condensed Matter. 2006, 385-86:2, 848-852.
  47. Lynn, G.W.; Heller, W.; Urban, V.; Wignall, G.D.; Weiss, K.; and Myles, D.A.A. Bio-SANS – A dedicated facility for neutron structural biology at Oak Ridge National Laboratory. Physica B-Condensed Matter. 2006, 385-86:2, 880-882.
  48. Mason, T.E.; Abernathy, D.; Anderson, I.; Ankner, J.; Egami, T.; Ehlers, G.; Ekkebus, A.; Granroth, G.; Hagen, M.; Herwig, K.; Hodges, J.; Hoffmann, C.; Horak, C.; Horton, L.; Klose, F.; Larese, J.; Mesecar, A.; Myles, D.; Neuefeind, J.; Ohl, M.; Tulk, C.; Wang, X.L.; and Zhao, J. The Spallation Neutron Source in Oak Ridge: A powerful tool for materials research. Physica B. 2006, 385-86:2, 955-960.
  49. Augustus, A.M.; Reardon, P.N.; Heller, W.T.; and Spicer, L.D. Structural basis for the differential regulation of DNA by the methionine repressor MetJ. J. Biol. Chem. 2006, 281:45, 34269-34276.
  50. Woodward, J.D.; Pickel, J.M.; Anovitz, L.M.; Heller, W.T.; and Rondinone, A.J. Self-assembled colloidal crystals from ZrO2 nanoparticles. J. Phys. Chem. B. 2006, 110:39, 19456-19460.
  51. Heller, W.T. ELLSTAT: Shape modeling for solution small-angle scattering of proteins and protein complexes with automated statistical characterization. J. Appl. Crystallogr. 2006, 39:5, 671-675.
  52. Coates, L.; Erskine, P.T.; Mall, S.; Gill, R.; Wood, S.P.; Myles, D.A.A.; and Cooper, J.B. X-ray, neutron and NMR studies of the catalytic mechanism of aspartic proteinases. Eur. Biophys. J. Biophys. Lett. 2006, 35:7, 559-566.
  53. Blakeley, M.P.; Mitschler, A.; Hazemann, I.; Meilleur, F.; Myles, D.A.A.; and Podjarny, A. Comparison of hydrogen determination with x-ray and neutron crystallography in a human aldose reductase-inhibitor complex. Eur. Biophys. J. Biophys. Lett. 2006, 35:7, 577-583.
  54. Meilleur, F.; Snell, E.H.; van der Woerd, M.J.; Judge, R.A.; and Myles, D.A.A. A quasi-Laue neutron crystallographic study of D-xylose isomerase. Eur. Biophys. J. Biophys. Lett. 2006, 35:7, 601-609.
  55. Meilleur, F.; Myles, D.A.A.; and Blakeley, M.P. Neutron laue macromolecular crystallography. Eur. Biophys. J. Biophys. Lett. 2006, 35:7, 611-620.
  56. Snell, E.H., van der Woerd, J.J.; Damon, M.; Judge, R.A.; Myles, D.A.A.; and Meilleur, F. Optimizing crystal volume for neutron diffraction: D-xylose isomerase. Eur. Biophys. J. Biophys. Lett. 2006, 35:7, 621-632.
  57. Botti, A.; Pyckhout-Hintzen, W.; Richter, D.; Urban, V.; and Straube, E. A microscopic look at the reinforcement of silica-filled rubbers. J. Chem. Phys. 2006, 124:17.
  58. Boker, A.; Schmidt, K.; Knoll, A.; Zettl, H.; Hansel, H.; Urban, V.; Abetz, V.; and Krausch, G. The influence of incompatibility and dielectric contrast on the electric field-induced orientation of lamellar block copolymers. Polymer. 2006, 47:3, 849-857.
  59. Budayova-Spano, M.; Fisher, S.Z.; Dauvergne, M.T.; Agbandje-McKenna, M.; Silverman, D.N.; Myles, D.A.A.; and McKenna, R. Production and x-ray crystallographic analysis of fully deuterated human carbonic anhydrase II. Acta Crystallogr. F-Struct. Biol. Cryst. Commun. 2006, 62:1, 6-9.
  60. Schultz, A.J.; Thiyagarajan, P.; Hodges, J.P.; Rehm, C.; Myles, D.A.A.; Langan, P.; and Mesecar, A.D. Conceptual design of a macromolecular neutron diffractometer (MaNDi) for the SNS. J. Appl. Crystallogr. 2005, 38:6, 964-974.
  61. Wilson, C.C.; Myles, D.; Ghosh, M.; Johnson, L.N.; and Wang, W.G. Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation. New J. Chem. 2005, 29:10, 1318-1322.
  62. Parrot, I.M.; Urban, V.; Gardner, K.H.; and Forsyth, V.T. Combined x-ray and neutron fibre diffraction studies of biological and synthetic polymers. Nucl. Instrum. Meth. Phys. Res. Sect. B-Beam Interact. Mater. Atoms. 2005, 238:1-4, 7-15.
  63. Hazemann, I.; Dauvergne, M.T.; Blakeley, M.P.; Meilleur, F.; Haertlein, M.; Van Dorsselaer, A.; Mitschler, A.; Myles, D.A.A.; and Podjarny, A. High-resolution neutron protein crystallography with radically small crystal volumes: Application of perdeuteration to human aldose reductase. Acta Crystallogr. Sect. D-Biol. Crystallogr. 2005, 61:10, 1413-1417.
  64. Mahendrasingam, A.; Blundell, D.J.; Martin, C.; Urban, V.; Narayanan, T.; and Fuller, W. Time resolved WAXS study of the role of mesophase in oriented crystallization of poly(ethylene terephthalate-co-isophthalate) copolymers. Polymer. 2005, 46:16, 6044-6049.
  65. Versmold, H.; Musa, S.; Kubetzki, H.; and Urban, V. Stacking structure of concentrated shear ordered dispersions by two scattering methods. Langmuir. 2005, 21:10, 4324-4327.
  66. Meilleur, F.; Dauvergne, M.T.; Schlichting, I.; and Myles, D.A.A. Production and x-ray crystallographic analysis of fully deuterated cytochrome P450cam. Acta Crystallogr. Sect. D-Biol. Crystallogr. 2005, 61:5, 539-544.
  67. Bennett, B.C.; Meilleur, F.; Myles, D.A.A.; Howell, E.E.; and Dealwis, C.G. Preliminary neutron diffraction studies of Escherichia coli dihydrofolate reductase bound to the anticancer drug methotrexate. Acta Crystallogr. Sect. D.-Biol. Crystallogr. 2005, 61:5, 574-579.
  68. Priddy, T.S.; Macdonald, B.A.; Heller, W.T.; Nadeau, O.W.; Trewhella, J.; and Carlson, G.M. Ca2+-induced structural changes in phosphorylase kinase detected by small-angle x-ray scattering. Protein Science. 2005, 14:4, 1039-1048.
  69. Versmold, H.; Kubetzki, H.; Musa, S.; and Urban, V. Small-angle scattering without sample rotation. Colloid Polym. Sci. 2005, 283:6, 612-618.
  70. Lynn, G.W.; Heller, W.T.; Mayasundari, A.; Minor, K.H.; and Peterson, C.B. A model for the three-dimensional structure of human plasma vitronectin from small-angle scattering measurements. Biochemistry. 2005, 44:2, 565-574.
  71. Heller, W.T. Influence of multiple well defined conformations on small-angle scattering of proteins in solution. Acta Crystallogr. D.-Biol. Crystallogr. 2005, 61:1, 33-44.
  72. Blakeley, M.P.; Kalb, A.J.; Helliwell, J.R.; and Myles, D.A.A. The 15-K neutron structure of saccharide-free concanavalin A. Proc. Natl. Acad. Sci. U.S.A. 2004, 101:47, 16405-16410.
  73. Rathgeber, S.; Pakula, T.; and Urban V. Structure of star-burst dendrimers: A comparison between small angle x-ray scattering and computer simulation results. J. Chem. Phys. 2004, 121:8, 3840-3853.
  74. Mahendrasingam, A.; Blundell, D.J.; Wright, A.K.; Urban, V.; Narayanan, T.; and Fuller, W. Time resolved WAXS/SAXS observations of crystallization in oriented melts of ultra high molecular weight polyethylene. Polymer. 2004, 45:16, 5641-5652.
  75. Rossle, M.; Panine, P.; Urban, V.; and Riekel, C. Structural evolution of regenerated silk fibroin under shear: Combined wide- and small-angle x-ray scattering experiments using synchrotron radiation. Biopolymers. 2004, 74:4, 316-327.
  76. Heller, W.T.; Vigil, D.; Brown, S.; Blumenthal, D.K.; Taylor, S.S.; and Trewhella, J. C subunits binding to the protein kinase a RI alpha dimer induce a large conformational change. J. Biol. Chem. 2004, 279:18, 19084-19090.
  77. Vigil, D.; Blumenthal, D.K.; Heller, W.T.; Brown, S.; Canaves, J.M.; Taylor, S.S.; and Trehella, J. Conformational differences among solution structures of the type I alpha, II alpha and II beta protein kinase A resulatory subunit homodimers: Role of the linker regions. J. Mol. Biol. 2004, 337:5, 1183-1194.
  78. Tuominen, V.U.; Myles, D.A.A.; Dauvergne, M.T.; Lahti, R.; Heikinheimo, P.; and Goldman, A. Production and preliminary analysis of perdeuterated yeast inorganic pyrophosphatase crystals suitable for neutron diffraction. Acta Crystallogr. Sect. D-Biol. Crystallogr. 2004, 60:3, 606-609.
  79. Boker, A.; Elbs, H.; Hansel, H.; Knoll, A.; Ludwigs, S.; Zettl, H.; Zvelindovsky, A.V.; Sevink, G.J.A.; Urban, V.; Abetz, V.; Muller, A.H.E.; and Krausch, G. Electric field induced alignment of concentrated block copolymer solutions. Macromolecules. 2003, 36:21, 8078-8087.
  80. Heller, W.T.; Krueger, J.K.; and Trewhella, J. Further insights into calmodulin-myosin light chain kinase interaction from solution scattering and shape restoration. Biochem. 2003, 42:36, 10579-10588.
  81. Panine, P.; Urban, V.; Boesecke, P.; and Narayanan, T. Combined small- and wide-angle x-ray scattering study of early stages of polymer crystallization. J. Appl. Crystallogr. 2003, 36:4, 991-994.
  82. Heller, W.T.; Finley, N.L.; Dong, W.J.; Timmins, P.; Cheung, H.C.; Rosevear, P.R.; and Trewhella, J. Small-angle neutron scattering with contrast variation reveals spatial relationships between the three subunits in the ternary cardiac troponin complex and the effects of troponin I phosphorylation. Biochem. 2003, 42:25, 7790-7800.
  83. Urban, V.; Panine, P.; Ponchut, C.; Boesecke, P.; and Narayanan, T. Two-dimensional camera for millisecond range time-resolved small- and wide-angle x-ray scattering. J. Appl. Crystallogr. 2003, 36:3, Sp. Iss. 1, 809-811.
  84. Botti, A.; Pyckhout-Hintzen, W.; Urban, V.; Kohlbrecher, J.; Richter, D.; and Straube, E. Silica-filled elastomers: Polymer chain and filler characterization by a SANS-SAXS approach. Appl. Phys. A-Mater. Sci. Process. 2003, 74:1, Suppl. S., s513-s515.
  85. Harris, S.P.; Heller, W.T.; Greaser, M.L.; Moss, R.L.; and Trewhella, J. Solution structure of heavy meromyosin by small-angle scattering. J. Biol. Chem. 2003, 278:8, 6034-6040.
  86. Heller, W.T.; Abusamhadneh, E.; Finley, N.; Rosevear, P.R.; and Trewhella, J. The solution structure of a cardiac troponin C-troponin I-troponin T-complex shows a somewhat compact troponin C interacting with an extended troponin I-Troponin T component. Biochem. 2003, 41:52, 15654-15663.

Other Publications

  1. Sam-Shajing Sun and Hugh O’Neill (2010) “Sunlight Energy Conversion Via Organics” To be published in Handbook of Photovoltaic Science and Engineering, 2nd Edition: Editors Steven Hegedus and Antonio Luque. Chapter 16 pp 675 – 715. Wiley, Chichester, UK
  2. Heller, W.T. and Littrell, K.C., “Small-angle Neutron Scattering for Molecular Biology: Basics and Instrumentation,” in Methods in Molecular Biology, 544, Micro and Nanotechnologies in Separation, Detection and Analysis of Biomolecules (eds. J. W. Lee and R. S. Foote), Springer, New York, NY, pp. 293-305 (2009).
  3. Meilleur, F., Weiss, K.L., and Myles, D.A.A., “Deuterium Labeling for Neutron Structure-Function-Dynamics Analysis,” in Methods in Molecular Biology, 544, Micro and Nanotechnologies in Separation, Detection and Analysis of Biomolecules (eds. J. W. Lee and R. S. Foote), Springer, New York, NY, 281-292 (2009).
  4. Heller, W.T. and Baker, G.A., “Visualizing Structures of Biological Macromolecules with Small-angle Neutron Scattering and Modeling,” in Neutron Imaging and Applications (eds. I. S. Anderson, R. L. McGreevy and H. Z. Billheux), Springer, New York, NY, pp. 289-304 (2009).
  5. Baker, S. N., McCarty, T. A., Bright, F. V., Heller, W. T. and Baker, G. A., “Ionic Liquid Advances in Optical, Electrochemical and Biochemical Sensor Technology,” in Ionic Liquids in Chemical Analysis (ed. M. Koel), Taylor and Francis, New York, NY, pp. 99-138 (2008).
  6. Londono, D. and Urban, V., “9.03 Polymer Science and Technology,” 2006 ACA Meeting session report, ACA RefleXions No. 3, 40, Fall 2006.
  7. Tsuruta, H. and Urban, V., “9.02 Bio-Molecular Assemblies,” 2006 ACA Meeting session report published in ACA RefleXions No. 3, 39, Fall 2006.
  8. Urban, V., “Small-angle neutron scattering,” Report of SANS workshop held at the first on-site SNS-HFIR user meeting Oct. 2005, Neutron Pulse, 7(1), 11, Spring 2006.
  9. Blakeley, M., Hazemann, I., Mitschler, A., Meilleur, F., Dauvergne, M.T., el Kabbani, O., Cousido, A., Joachimiak, A., Petrova, T., Myles, D.A.A., and. Podjarny, A., “Combined High Resolution X-Ray and Neutron Crystallography to observe protonation states in human Aldose Reductase,” In Hydrogen and Hydration-Sensitive Structural Biology, Ed. N. Niimura H. Mizuno, J. Helliwell, E. Westhof, KubaPro, Japan, pp. 87-102 (2005).
  10. Coates, L., Erskine, P.T., Mall, S., Gill, R.S., Wood, S.P., Myles, D.A.A., and Cooper, J.B., “Atomic Resolution X-ray, Neutron and NMR Studies of Aspartic Proteinase Structure and Function,” in Hydrogen and Hydration-Sensitive Structural Biology, Ed. N. Niimura, H. Mizuno, J. Helliwell, E. Westhof, KubPro, Japan, pp. 103-110 (2005).
  11. Meilleur, F., Blakeley, M., and Myles, D.A.A., “Hydrogen and hydration of protein structures determined by neutron Laue Diffraction,” In Hydrogen and Hydration-Sensitive Structural Biology, Ed. N. Niimura, H. Mizuno, J. Helliwell, E. Westhof, KubaPro, Japan, pp. 75-86 (2005).
  12. Blakeley, M., Gilboa, A.J.K., Habash, J., Helliwell, J.R., Myles, D.A.A., and Raftery, J., “Neutron Protein Crystallography; Technical Aspects and Some Case Studies at Current Capabilities and Beyond,” In Neutron Scattering in Biology - Techniques and Applications, Springer Publ. Biological and Medical Physics, Biomedical Engineering, p63-72 (2005).
  13. Mesecar, A., Myles, D.A.A., Schultz, A., and Thiyagarajan, P., “Report: Conference on New Frontiers in Neutron Macromolecular Crystallography,” (2005).
  14. Wilson, C. and Myles, D.A.A., “Single Crystal Neutron Diffraction and Protein Crystallography,” In Neutron Scattering in Biology Neutrons in Biology - Techniques and Applications, Springer Publ. Biological and Medical Physics, Biomedical Engineering Series, p 21-42 (2005).