neutron diffraction

Summary

Summary: The scattering of NEUTRONS by matter, especially crystals, with accompanying variation in intensity due to interference effects. It is useful in CRYSTALLOGRAPHY and POWDER DIFFRACTION.

Top Publications

  1. pmc Conformational changes in SP-B as a function of surface pressure
    Wilfred K Fullagar
    School of Molecular and Microbial Sciences, The University of Queensland, Brisbane, Queensland 4072, Australia
    Biophys J 85:2624-32. 2003
  2. ncbi Neutron diffraction and simulation studies of the exocyclic hydroxymethyl conformation of glucose
    Philip E Mason
    Department of Food Science, Stocking Hall, Cornell University, Ithaca, New York 14853, USA
    J Chem Phys 125:224505. 2006
  3. ncbi Nanostructures of colloidal complexes formed in oppositely charged polyelectrolyte/surfactant dilute aqueous solutions
    S Trabelsi
    Laboratoire de Physique des Solides, Universite Paris Sud, Batiment 510, 91405 Orsay Cedex, France
    Eur Phys J E Soft Matter 23:305-11. 2007
  4. pmc Structure and hydration of membranes embedded with voltage-sensing domains
    Dmitriy Krepkiy
    Molecular Physiology and Biophysics Section, Porter Neuroscience Research Center, National Institute of Neurological Disorders and Stroke, National Institutes of Health, Bethesda, Maryland 20892, USA
    Nature 462:473-9. 2009
  5. ncbi Neutron diffraction study of Pseudomonas aeruginosa lipopolysaccharide bilayers
    Thomas Abraham
    National Research Council, Canadian Neutron Beam Center, Chalk River, Ontario K0J 1J0, Canada
    J Phys Chem B 111:2477-83. 2007
  6. ncbi Crystal structure and hydrogen bonding system in cellulose I(alpha) from synchrotron X-ray and neutron fiber diffraction
    Yoshiharu Nishiyama
    Department of Biomaterial Sciences, Graduate School of Agriculture and Life Science, The University of Tokyo, Yayoi 1 1 1, Bunkyo ku, Tokyo 113, Japan
    J Am Chem Soc 125:14300-6. 2003
  7. pmc Hydration of POPC bilayers studied by 1H-PFG-MAS-NOESY and neutron diffraction
    Klaus Gawrisch
    Laboratory of Membrane Biochemistry and Biophysics, NIAAA, NIH, Bethesda, MD 20892, USA
    Eur Biophys J 36:281-91. 2007
  8. pmc Shape and subunit organisation of the DNA methyltransferase M.AhdI by small-angle neutron scattering
    P Callow
    EPSAM and ISTM Research Institutes, Keele University, Staffordshire ST5 5BG, UK
    J Mol Biol 369:177-85. 2007
  9. pmc Constrained solution scattering modelling of human antibodies and complement proteins reveals novel biological insights
    Stephen J Perkins
    Department of Structural and Molecular Biology, University College London, Darwin Building, Gower Street, London WC1E 6BT, UK
    J R Soc Interface 6:S679-96. 2009
  10. pmc Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding
    S Zoe Fisher
    Bioscience Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
    J Am Chem Soc 134:14726-9. 2012

Research Grants

Detail Information

Publications263 found, 100 shown here

  1. pmc Conformational changes in SP-B as a function of surface pressure
    Wilfred K Fullagar
    School of Molecular and Microbial Sciences, The University of Queensland, Brisbane, Queensland 4072, Australia
    Biophys J 85:2624-32. 2003
    ....
  2. ncbi Neutron diffraction and simulation studies of the exocyclic hydroxymethyl conformation of glucose
    Philip E Mason
    Department of Food Science, Stocking Hall, Cornell University, Ithaca, New York 14853, USA
    J Chem Phys 125:224505. 2006
    The techniques of neutron diffraction with isotopic substitution (NDIS) and molecular dynamics (MD) simulations have been used to examine the rotational conformation of the exocyclic hydroxymethyl group of D-glucopyranose...
  3. ncbi Nanostructures of colloidal complexes formed in oppositely charged polyelectrolyte/surfactant dilute aqueous solutions
    S Trabelsi
    Laboratoire de Physique des Solides, Universite Paris Sud, Batiment 510, 91405 Orsay Cedex, France
    Eur Phys J E Soft Matter 23:305-11. 2007
    ..However, they possess a similar internal structure in both regimes. Carboxymethylcellulose/CTAB complexes are also large, soft and polydisperse but do not seem to exhibit well-defined internal structures...
  4. pmc Structure and hydration of membranes embedded with voltage-sensing domains
    Dmitriy Krepkiy
    Molecular Physiology and Biophysics Section, Porter Neuroscience Research Center, National Institute of Neurological Disorders and Stroke, National Institutes of Health, Bethesda, Maryland 20892, USA
    Nature 462:473-9. 2009
    ..Here we use neutron diffraction, solid-state nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics simulations to ..
  5. ncbi Neutron diffraction study of Pseudomonas aeruginosa lipopolysaccharide bilayers
    Thomas Abraham
    National Research Council, Canadian Neutron Beam Center, Chalk River, Ontario K0J 1J0, Canada
    J Phys Chem B 111:2477-83. 2007
    ..Here, we report on neutron diffraction studies performed on aligned, self-assembled bilayers of LPS isolated from Pseudomonas aeruginosa PAO1...
  6. ncbi Crystal structure and hydrogen bonding system in cellulose I(alpha) from synchrotron X-ray and neutron fiber diffraction
    Yoshiharu Nishiyama
    Department of Biomaterial Sciences, Graduate School of Agriculture and Life Science, The University of Tokyo, Yayoi 1 1 1, Bunkyo ku, Tokyo 113, Japan
    J Am Chem Soc 125:14300-6. 2003
    ..hydrogen-bonding system in cellulose I(alpha), has been determined using atomic-resolution synchrotron and neutron diffraction data recorded from oriented fibrous samples prepared by aligning cellulose microcrystals from the cell wall ..
  7. pmc Hydration of POPC bilayers studied by 1H-PFG-MAS-NOESY and neutron diffraction
    Klaus Gawrisch
    Laboratory of Membrane Biochemistry and Biophysics, NIAAA, NIH, Bethesda, MD 20892, USA
    Eur Biophys J 36:281-91. 2007
    ..The distribution of water molecules over the lipid bilayer was measured at identical water content by neutron diffraction. Water molecules penetrate deep into the interfacial region of bilayers but water concentration in the ..
  8. pmc Shape and subunit organisation of the DNA methyltransferase M.AhdI by small-angle neutron scattering
    P Callow
    EPSAM and ISTM Research Institutes, Keele University, Staffordshire ST5 5BG, UK
    J Mol Biol 369:177-85. 2007
    ....
  9. pmc Constrained solution scattering modelling of human antibodies and complement proteins reveals novel biological insights
    Stephen J Perkins
    Department of Structural and Molecular Biology, University College London, Darwin Building, Gower Street, London WC1E 6BT, UK
    J R Soc Interface 6:S679-96. 2009
    ..We conclude that constrained scattering modelling makes useful contributions to our understanding of antibody and complement structure and function...
  10. pmc Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding
    S Zoe Fisher
    Bioscience Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
    J Am Chem Soc 134:14726-9. 2012
    ..b>Neutron diffraction is a useful technique for directly observing H atoms and the mapping of H-bonding networks that can greatly ..
  11. ncbi Analysis of X-ray and neutron scattering from biomacromolecular solutions
    Maxim V Petoukhov
    EMBL, Hamburg Outstation, Germany
    Curr Opin Struct Biol 17:562-71. 2007
    ....
  12. ncbi 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
    Stephen J Tomanicek
    Oak Ridge National Laboratory, Neutron Scattering Science Division, Oak Ridge, TN 37831, USA
    FEBS Lett 585:364-8. 2011
    Room temperature neutron diffraction data of the fully perdeuterated Toho-1 R274N/R276N double mutant β-lactamase in the apo form were used to visualize deuterium atoms within the active site of the enzyme...
  13. ncbi Compression of random coils due to macromolecular crowding
    C Le Coeur
    Laboratoire Leon Brillouin, CEA CNRS, CEA Saclay, 91191 Gif sur Yvette, France
    Phys Rev E Stat Nonlin Soft Matter Phys 79:031910. 2009
    ....
  14. ncbi Kinetic studies of methane-ethane mixed gas hydrates by neutron diffraction and Raman spectroscopy
    M Mangir Murshed
    GZG, Abteilung Kristallographie, Universitat Gottingen, Goldschmidtstrasse 1, 37077 Gottingen, Germany
    J Phys Chem B 113:5172-80. 2009
    In situ formations of CH(4)-C(2)H(6) mixed gas hydrates were made using high flux neutron diffraction at 270 K and 5 MPa. For this purpose, a feed gas composition of CH(4) and C(2)H(6) (95 mol% CH(4)) was employed...
  15. pmc Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction
    Xun Li Wang
    Chemical and Engineering Materials Division, Oak Ridge National Laboratory Oak Ridge, TN 37831 6465, USA
    Sci Rep 2:747. 2012
    We report an in-situ neutron diffraction study of a large format pouch battery cell. The succession of Li-Graphite intercalation phases was fully captured under an 1C charge-discharge condition (i.e., charge to full capacity in 1 hour)...
  16. pmc Structural and functional analysis of the symmetrical Type I restriction endonuclease R.EcoR124I(NT)
    James E Taylor
    Institute of Biomedical and Biomolecular Sciences, University of Portsmouth, Portsmouth, United Kingdom
    PLoS ONE 7:e35263. 2012
    ..We show that the covalent linkage between the two target recognition domains of the specificity subunit is not required for subunit assembly or enzyme activity, and discuss the implications for the evolution of Type I enzymes...
  17. ncbi A structural investigation of the alkali metal site distribution within bioactive glass using neutron diffraction and multinuclear solid state NMR
    Richard A Martin
    School of Physical Sciences, Ingram Building, University of Kent, Canterbury, CT2 7NH, UK
    Phys Chem Chem Phys 14:12105-13. 2012
    ..and the effect of substituting lithium for sodium within these glasses have been investigated using neutron diffraction and solid state magic angle spinning (MAS) NMR...
  18. ncbi Kinetics of methane-ethane gas replacement in clathrate-hydrates studied by time-resolved neutron diffraction and Raman spectroscopy
    M Mangir Murshed
    GZG, Abt Kristallographie, Universitat Gottingen, Goldschmidtstrasse 1, 37077 Gottingen, Germany
    J Phys Chem A 114:247-55. 2010
    The kinetics of CH(4)-C(2)H(6) replacement in gas hydrates has been studied by in situ neutron diffraction and Raman spectroscopy...
  19. ncbi Deuterium labeling for neutron structure-function-dynamics analysis
    Flora Meilleur
    Department of Molecular and Structural Biochemistry, North Carolina State University, Oak Ridge National Laboratory, Raleigh, Oak Ridge, NC, TN, USA
    Methods Mol Biol 544:281-92. 2009
    ..Once the target protein has been expressed, purification proceeds by the protocols developed for the hydrogenated protein. The deuteration levels of the final product are determined by mass spectrometry...
  20. pmc Dynamics-stability relationships in apo- and holomyoglobin: a combined neutron scattering and molecular dynamics simulations study
    Andreas Maximilian Stadler
    Institute for Complex Systems ICS 5 Molecular Biophysics, Forschungszentrum Julich, Julich, Germany
    Biophys J 102:351-9. 2012
    ..It is of interest that in holo-Mb, higher MSD values are observed for the residues outside the heme pocket, indicating an entropic contribution to protein stabilization by heme binding, which is in agreement with experimental results...
  21. ncbi Preference for isolated water molecules in a concentrated glycerol-water mixture
    J J Towey
    School of Physics and Astronomy, University of Leeds, Leeds, LS2 9JT, United Kingdom
    J Phys Chem B 115:7799-807. 2011
    b>Neutron diffraction coupled with hydrogen/deuterium isotopic substitution has been used to investigate the structure of a concentrated glycerol water (4:1 mole fraction) solution...
  22. pmc Preliminary time-of-flight neutron diffraction study on diisopropyl fluorophosphatase (DFPase) from Loligo vulgaris
    Marc Michael Blum
    Institute of Biophysical Chemistry, J W Goethe University Frankfurt, Max von Laue Strasse 9, D 60438 Frankfurt, Germany
    Acta Crystallogr Sect F Struct Biol Cryst Commun 63:42-5. 2007
    ..the protonation state of the active-site residues, large-sized crystals of DFPase have been prepared for neutron diffraction studies...
  23. ncbi Dynamics of apomyoglobin in the alpha-to-beta transition and of partially unfolded aggregated protein
    E Fabiani
    Institut Laue Langevin, BP156, Grenoble, France
    Eur Biophys J 38:237-44. 2009
    ..A study in a wide temperature range between 20 and 360 K revealed that a dynamical transition at about 200 K for motions in the 50 ps time scale exists also for a hydrated powder of heat-denatured aggregated ApoMb...
  24. ncbi Selective deuteration of tryptophan and methionine residues in maltose binding protein: a model system for neutron scattering
    Valerie Laux
    ILL EMBL Deuteration Laboratory, Partnership for Structural Biology, Institut Laue Langevin, 38042, Grenoble Cedex 9, France
    Eur Biophys J 37:815-22. 2008
    ..analysis of small-angle neutron scattering (SANS) data, neutron reflection (NR) data, and high-resolution neutron diffraction data. The selective labelling was carried out in E...
  25. pmc Sample preparation methods to analyze DNA-induced structural changes in replication protein A
    Chris A Brosey
    Department of Biochemistry, Center for Structural Biology, Vanderbilt University, Nashville, TN, USA
    Methods Mol Biol 922:101-22. 2012
    ..Here we describe a basic protocol for characterizing and optimizing sample conditions for RPA/ssDNA complexes prior to study by SAXS and/or SANS...
  26. ncbi Toward a taxonomy of the denatured state: small angle scattering studies of unfolded proteins
    Ian S Millett
    Department of Applied Physics, Stanford University, Stanford, California 92343, USA
    Adv Protein Chem 62:241-62. 2002
  27. pmc Effects of macromolecular crowding on an intrinsically disordered protein characterized by small-angle neutron scattering with contrast matching
    Daniel Johansen
    Department of Biology, University of Utah, Salt Lake City, Utah, USA
    Biophys J 100:1120-8. 2011
    ..These results are reminiscent of the behavior of polymers in concentrated melts, suggesting that these synthetic mixtures may provide useful insights into the properties of unfolded proteins under crowding conditions...
  28. pmc Hemoglobin dynamics in red blood cells: correlation to body temperature
    A M Stadler
    Institut Laue Langevin, Grenoble, France
    Biophys J 95:5449-61. 2008
    ..The results demonstrated that changes in molecular dynamics in the picosecond time range and angstrom length scale might well be connected to a macroscopic effect on whole RBCs that occurs at body temperature...
  29. ncbi Protein-water displacement distributions
    Wolfgang Doster
    Technische Universitat Munchen, Physik Department E 13, Garching, Germany
    Biochim Biophys Acta 1749:173-86. 2005
    ..The interaction with water induces further continuous protein motions on a small scale. Water acts as a plasticizer of displacements, which couple to functional processes such as open-closed transitions and ligand exchange...
  30. ncbi Small-angle scattering and neutron contrast variation for studying bio-molecular complexes
    Andrew E Whitten
    Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, N S W, Australia
    Methods Mol Biol 544:307-23. 2009
    ....
  31. ncbi On the hydration of the phosphocholine headgroup in aqueous solution
    Fabrizia Foglia
    Department of Pharmaceutical Sciences, King s College London, London SE1 9NH, United Kingdom
    J Chem Phys 133:145103. 2010
    ..headgroup in 1,2-dipropionyl-sn-glycero-3-phosphocholine (C(3)-PC) in solution has been determined by using neutron diffraction enhanced with isotopic substitution in combination with computer simulation techniques...
  32. ncbi Membrane insertion of a lipidated ras peptide studied by FTIR, solid-state NMR, and neutron diffraction spectroscopy
    Daniel Huster
    Junior Research Group Solid State NMR Studies of Membrane Associated Proteins, University of Leipzig, Liebigstrasse 27, D 04103 Leipzig, Germany
    J Am Chem Soc 125:4070-9. 2003
    ..the C-terminus of the human N-ras protein was studied by Fourier transform infrared, solid-state NMR, and neutron diffraction spectroscopy...
  33. ncbi Protein dynamics studied by neutron scattering
    Frank Gabel
    Institut de Biologie Structurale, 41 rue Jules Horowitz, 38027 Grenoble, France
    Q Rev Biophys 35:327-67. 2002
    ..The biological relevance of the experimental results is discussed. The major conclusion of the last decade concerns the strong dependence of internal dynamics on the macromolecular environment...
  34. pmc Conformation of the HIV-1 Gag protein in solution
    Siddhartha A K Datta
    HIV Drug Resistance Program, National Cancer Institute Frederick, Frederick, MD 21702 1201, USA
    J Mol Biol 365:812-24. 2007
    ..Since Gag is a rod-shaped molecule in the assembled immature virion, these findings imply that Gag undergoes a major conformational change upon virus assembly...
  35. pmc The structure of polyunsaturated lipid bilayers important for rhodopsin function: a neutron diffraction study
    Mihaela Mihailescu
    Biophys J 90:L04-6. 2006
    ..bilayers with perdeuterated stearoyl- or docosahexaenoyl hydrocarbon chains was investigated by neutron diffraction. Experiments were conducted at two different relative humidities, 66 and 86%...
  36. pmc Complicated water orientations in the minor groove of the B-DNA decamer d(CCATTAATGG)2 observed by neutron diffraction measurements
    Shigeki Arai
    Neutron Science Research Center, Japan Atomic Energy Research Institute 2 4 Shirakatashirane, Tokai, Ibaraki 319 1195, Japan
    Nucleic Acids Res 33:3017-24. 2005
    ..By neutron diffraction experiments, we have succeeded in determining most of the hydrogen (H) and deuterium (D) atomic positions ..
  37. ncbi Hydrogen and hydration in proteins
    Nobuo Niimura
    Neutron Science Research Center, Japan Atomic Energy Research Institute, Shirane, Tokai mura, Naka gun, Ibaraki Ken, Japan
    Cell Biochem Biophys 40:351-69. 2004
    b>Neutron diffraction provides an experimental method of directly locating hydrogen atoms in proteins...
  38. pmc Bulk-solvent and hydration-shell fluctuations, similar to alpha- and beta-fluctuations in glasses, control protein motions and functions
    P W Fenimore
    Theory Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
    Proc Natl Acad Sci U S A 101:14408-13. 2004
    ..The large number of conformational substates is essential; proteins cannot function without this reservoir of entropy, which resides mainly in the hydration shell...
  39. ncbi Localization of coenzyme Q10 in the center of a deuterated lipid membrane by neutron diffraction
    Thomas Hauss
    Hahn Meitner Institute, Berlin Neutron Scattering Centre, Glienicker Strasse 100, D 14109 Berlin, Germany Darmstadt University of Technology, Dept of Chemistry, Physical Biochemistry, Petersenstrasse 22, D 64287 Darmstadt, Germany
    Biochim Biophys Acta 1710:57-62. 2005
    ..Seeking unambiguous evidence for the localization of ubiquinone within lipid bilayers, we have employed neutron diffraction. CoQ10 was incorporated into stacked bilayers of perdeuterated dimyristoyl phosphatidyl choline doped with ..
  40. pmc Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate
    Brad Bennett
    Department of Biochemistry, Cellular and Molecular Biology, M407 Walters Life Sciences, University of Tennessee, Knoxville, TN 37996, USA
    Proc Natl Acad Sci U S A 103:18493-8. 2006
    ..Several D(2)Os are observed at hydrophobic surfaces, including two pockets near the MTX-binding site. A previously unidentified D(2)O hydrogen bonds with the catalytic D27 in mon. B, stabilizing its negative charge...
  41. pmc Global rigid body modeling of macromolecular complexes against small-angle scattering data
    Maxim V Petoukhov
    European Molecular Biology Laboratory, Hamburg, Germany
    Biophys J 89:1237-50. 2005
    ..The methods described are implemented in publicly available computer programs running on major hardware platforms...
  42. pmc Protein folding in membranes: insights from neutron diffraction studies of a membrane beta-sheet oligomer
    Xue Han
    The Johns Hopkins University, Department of Materials Science and Engineering, Baltimore, Maryland 21218, USA
    Biophys J 94:492-505. 2008
    ..Yet, the exact structure of the oligomer in the lipid bilayer is unknown. Here we use neutron diffraction to study the disposition of the peptides in bilayers...
  43. ncbi Protein dynamics in solution and powder measured by incoherent elastic neutron scattering: the influence of Q-range and energy resolution
    Frank Gabel
    Institut de Biologie Structurale, 41 rue Jules Horowitz, 38027 Grenoble Cedex 1, France
    Eur Biophys J 34:1-12. 2005
    ..Finally, analogies between the Gaussian approximation in IENS and the Guinier approximation in small-angle scattering are discussed...
  44. pmc The hydration of the neurotransmitter acetylcholine in aqueous solution
    E C Hulme
    Division of Physical Biochemistry, MRC National Institute for Medical Research, London, United Kingdom
    Biophys J 91:2371-80. 2006
    b>Neutron diffraction augmented with hydrogen isotope substitution has been used to examine the water structure around the acetylcholine molecular ion in aqueous solution...
  45. ncbi Structure of pi-pi interactions in aromatic liquids
    Thomas F Headen
    London Centre for Nanotechnology, Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
    J Am Chem Soc 132:5735-42. 2010
    High-resolution neutron diffraction has been used in conjunction with hydrogen/deuterium isotopic labeling to determine with unprecedented detail the structure of two archetypal aromatic liquids: benzene and toluene...
  46. ncbi Conditioning action of the environment on the protein dynamics studied through elastic neutron scattering
    A Paciaroni
    Dipartimento di Fisica dell Università di Perugia, CNR INFM CRS SOFT, Via A Pascoli, 06123, Perugia, Italy
    Eur Biophys J 35:591-9. 2006
    ..The dynamical response of the protein to temperature is put in relationship with its thermal stability...
  47. pmc Controlling the protein dynamical transition with sugar-based bioprotectant matrices: a neutron scattering study
    E Cornicchi
    Dipartimento di Fisica dell Università di Perugia, CEMIN Centro di Eccellenza per i Materiali Innovativi Nanostrutturati and INFM CRS SOFT, 06123 Perugia, Italy
    Biophys J 91:289-97. 2006
    ..A possible connection between the protein dynamical response versus T and the thermal stability in glucose-water bioprotectant matrices is proposed...
  48. ncbi The low-temperature inflection observed in neutron scattering measurements of proteins is due to methyl rotation: direct evidence using isotope labeling and molecular dynamics simulations
    Kathleen Wood
    Institut Laue Langevin, Grenoble Cedex 9, France
    J Am Chem Soc 132:4990-1. 2010
    ..Methyl group correlation times measured by solid state NMR in the purple membrane, taken from previous work, support the interpretation...
  49. ncbi Puzzle of protein dynamical transition
    Salvatore Magazù
    Dipartimento di Fisica, Università di Messina, Viale Ferdinando Stagno D Alcontres n 31, P O Box 55, Vill S Agata 98166 Messina, Italy
    J Phys Chem B 115:7736-43. 2011
    ..and show that it is not due to finite instrumental energy resolution effects and it is not connected to numerical errors in the data analysis protocol, differently to what W. Doster et al. proposed [Phys. Rev. Lett.2010, 104, 098101]...
  50. ncbi Atomistic structure of a micelle in solution determined by wide Q-range neutron diffraction
    Rowan Hargreaves
    STFC ISIS Neutron Scattering Facility, Didcot, United Kingdom
    J Am Chem Soc 133:16524-36. 2011
    ..By using wide Q-range neutron diffraction measurements of H/D isotopically substituted solutions of decyltrimethylammonimum bromide (C(10)TAB) ..
  51. pmc QUAFIT: a novel method for the quaternary structure determination from small-angle scattering data
    Francesco Spinozzi
    Dipartimento di Scienze della Vita e dell Ambiente, Università Politecnica delle Marche and Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia, Ancona, Italy
    Biophys J 103:511-21. 2012
    ..Results are in very good agreement with the structural model derived from electron microscopy observations...
  52. pmc Influence of hydration on the dynamics of lysozyme
    J H Roh
    Department of Polymer Science, The University of Akron, Akron, Ohio 44325 3909, USA
    Biophys J 91:2573-88. 2006
    ....
  53. ncbi Structure of aqueous glucose solutions as determined by neutron diffraction with isotopic substitution experiments and molecular dynamics calculations
    P E Mason
    Department of Food Science, Stocking Hall, Cornell University, Ithaca, New York 14853, USA
    J Phys Chem B 109:13104-11. 2005
    b>Neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD) simulations have been used to examine the structuring of solvent around d-glucose in aqueous solution...
  54. ncbi Relationship between structure, dynamics and function of hydrated purple membrane investigated by neutron scattering and dielectric spectroscopy
    Alexandra Buchsteiner
    Hahn Meitner Institut Berlin, Glienicker Str 100, D 14109 Berlin, Germany
    J Mol Biol 371:914-23. 2007
    ..PM) with its protein bacteriorhodopsin (BR), a light-driven proton pump, complementary information from neutron diffraction, quasi-elastic neutron scattering (QENS) and dielectric spectroscopy will form a comprehensive picture of ..
  55. ncbi Fatty acid interdigitation in stratum corneum model membranes: a neutron diffraction study
    A Ruettinger
    Institute of Pharmacy, Martin Luther University, Wolfgang Langenbeck Str 4, 06120, Halle Saale, Germany
    Eur Biophys J 37:759-71. 2008
    ..CER [AP]), cholesterol (Ch), FFA and cholesterol sulphate (ChS) was investigated by neutron diffraction. The internal nanostructure of the SC lipid membrane in addition to the water distribution function was ..
  56. ncbi Solvent isotope effect on macromolecular dynamics in E. coli
    Marion Jasnin
    Institut de Biologie Structurale, UMR 5075 CEA CNRS UJF, 41 rue Jules Horowitz, 38027 Grenoble, France
    Eur Biophys J 37:613-7. 2008
    ..The smaller [Symbol: see text]k'[Symbol: see text] value suggested a larger entropy content in the D2O case due to increased sampling of macromolecular conformational substates...
  57. ncbi Neutron diffraction reveals sequence-specific membrane insertion of pre-fibrillar islet amyloid polypeptide and inhibition by rifampicin
    Kia Balali-Mood
    Veterinary Biomedical Sciences, R D SVS, University of Edinburgh, Summerhall, Edinburgh EH9 1QH, UK
    FEBS Lett 579:1143-8. 2005
    ..In the first structural study of membrane-associated hIAPP, lamellar neutron diffraction shows that oligomeric hIAPP inserts into phospholipid bilayers, and extends across the membrane...
  58. pmc Viewing the bilayer hydrocarbon core using neutron diffraction
    Xue Han
    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218, USA
    J Membr Biol 227:123-31. 2009
    ..Here, we propose a simple approach to visualize the hydrocarbon core using neutron diffraction and deuterated lipids that are commercially available...
  59. ncbi Neutron diffraction measurements of skeletal muscle using the contrast variation technique: analysis of the equatorial diffraction patterns
    Satoru Fujiwara
    Quantum Beam Science Directorate, Japan Atomic Energy Agency, 2 4 Shirakata Shirane, Tokai mura, Naka gun, Ibaraki 319 1195, Japan
    J Struct Biol 167:25-35. 2009
    ..in order to explore the possibilities of the contrast variation technique in neutron fiber diffraction, neutron diffraction measurements of skeletal muscles were performed...
  60. ncbi Structure of liquid n-hexane
    G Venturi
    CNR INFM CRS SOFT c o Dipartimento di Fisica, Universita di Firenze, Via G Sansone 1, I 50019 Sesto Fiorentino, Italy
    J Chem Phys 131:034508. 2009
    The structure of deuterated liquid n-hexane has been investigated at room temperature by neutron diffraction and molecular dynamics simulations...
  61. pmc Neutron diffraction studies of fluid bilayers with transmembrane proteins: structural consequences of the achondroplasia mutation
    Xue Han
    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland, USA
    Biophys J 91:3736-47. 2006
    ..Here we use neutron diffraction to determine the disposition of FGFR3 transmembrane domain in fluid lipid bilayers, and investigate whether ..
  62. ncbi Cholesterol hydroxyl group is found to reside in the center of a polyunsaturated lipid membrane
    Thad A Harroun
    National Research Council, Canadian Neutron Beam Centre, Chalk River, Ontario K0J 1J0, Canada
    Biochemistry 45:1227-33. 2006
    ..We attribute the change in location to the high disorder of polyunsaturated fatty acids (PUFA) that is incompatible with close proximity to the steroid moiety in its usual "upright" orientation...
  63. ncbi Insertion of externally administered amyloid beta peptide 25-35 and perturbation of lipid bilayers
    Silvia Dante
    Physical Biochemistry, Darmstadt University of Technology, Petersenstrasse 22, D 64287 Darmstadt, Germany
    Biochemistry 42:13667-72. 2003
    ..Abeta(25-35) has been localized in the region of the lipid alkyl chain, and it has a severe disordering effect on the lamellar order of the lipid bilayer. Both of these results are of biomedical relevance...
  64. ncbi A new neutron single-crystal diffractometer dedicated for biological macromolecules (BIX-4)
    Kazuo Kurihara
    Neutron Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319 1195, Japan
    J Synchrotron Radiat 11:68-71. 2004
    ..5 times larger than previous BIX-3. That higher performance increases the opportunities to apply neutron crystallography to biological macromolecules which give only weak reflections and/or small crystals...
  65. ncbi Hydration structures in proteins and neutron diffraction experiment on dissimilatory sul te reductase D (DsrD)
    Toshiyuki Chatake
    Neutron Structural Biology, Neutron Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319 1195, Japan
    J Synchrotron Radiat 11:72-5. 2004
    ..In addition, the neutron diffraction study of a DNA-binding protein, dissimilatory sulfite reductase D (DsrD) is briefly described, and some ..
  66. pmc Neutron crystallographic study on rubredoxin from Pyrococcus furiosus by BIX-3, a single-crystal diffractometer for biomacromolecules
    Kazuo Kurihara
    Neutron Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319 1195, Japan
    Proc Natl Acad Sci U S A 101:11215-20. 2004
    ..The neutron Fourier maps clearly showed the details of an extensive set of H bonds involving the ND3+ terminus that may contribute to the unusual thermostability of this molecule...
  67. ncbi Crystallization of a large single crystal of cubic insulin for neutron protein crystallography
    M Maeda
    Neutron Science Research Center, Japan Atomic Energy Research Institute, 2 4 Sirakata Shirane, Tokai mura, Naka gun, Ibaraki Ken, 319 1195, Japan
    J Synchrotron Radiat 11:41-4. 2004
    ..of cubic porcine insulin for characterization of hydrogen and hydration in cubic insulin crystals by neutron diffraction analysis is reported...
  68. ncbi Hydration in proteins observed by high-resolution neutron crystallography
    Toshiyuki Chatake
    Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai mura, Ibaraki Ken, Japan
    Proteins 50:516-23. 2003
    ..Our results further show that there are strong relationships between these shapes and the water environments...
  69. ncbi Temperature dependence of protein dynamics as affected by sugars: a neutron scattering study
    S Magazu
    Physics Department and INFM, Messina University, Messina, Italy
    Eur Biophys J 36:685-91. 2007
    ..Whereas the Q dependence of the elastic incoherent structure factor gives information about the geometry and the amplitudes of the motions...
  70. pmc Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments
    Jochen S Hub
    Computational Biomolecular Dynamics Group, Max Planck Institute for Biophysical Chemistry, Gottingen, Germany
    Biophys J 93:3156-68. 2007
    ..The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains...
  71. ncbi Conformation of poly(L-lysine)-graft-poly(ethylene glycol) molecular brushes in aqueous solution studied by small-angle neutron scattering
    L Feuz
    Laboratory for Surface Science and Technology, Department of Materials, ETH Zurich, Wolfgang Pauli Strasse 10, CH 8093 Zurich, Switzerland
    Eur Phys J E Soft Matter 23:237-45. 2007
    ..This finding is in agreement with earlier simulation and recent theoretical results...
  72. ncbi Clathrate formation and dissociation in vapor/water/ice/hydrate systems in SBA-15, sol-gel and CPG porous media, as probed by NMR relaxation, novel protocol NMR cryoporometry, neutron scattering and ab initio quantum-mechanical molecular dynamics simulati
    J Beau W Webber
    Institute of Petroleum Engineering, Heriot Watt University, Edinburgh EH14 4AS, UK
    Magn Reson Imaging 25:533-6. 2007
    ..Ab initio quantum-mechanical molecular dynamics calculations are also being employed to probe the dynamics of liquids in pores at nanometric dimensions...
  73. pmc Picosecond internal dynamics of lysozyme as affected by thermal unfolding in nonaqueous environment
    A De Francesco
    Istituto Nazionale per la Fisica della Materia, Dipartimento di Fisica dell Università di Perugia, Perugia 06121, Italy
    Biophys J 86:480-7. 2004
    ..Conversely the faster component might be ascribed to the local dynamics of hydrogen atoms caged by the nearest neighbors with characteristic time of approximately 0.3 ps...
  74. pmc High-pressure/low-temperature neutron scattering of gas inclusion compounds: progress and prospects
    Yusheng Zhao
    Los Alamos Neutron Science Center, Earth and Environmental Sciences Division, and Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
    Proc Natl Acad Sci U S A 104:5727-31. 2007
    ..We have developed high-pressure/low-temperature gas/fluid cells in conjunction with neutron diffraction and inelastic neutron scattering instruments allowing in situ and real-time examination of gas uptake/..
  75. ncbi Nanosecond molecular relaxations in lipid bilayers studied by high energy-resolution neutron scattering and in situ diffraction
    Maikel C Rheinstädter
    Institut Laue Langevin, 6 rue Jules Horowitz, Boite Postale 156, 38042 Grenoble Cedex 9, France
    Phys Rev E Stat Nonlin Soft Matter Phys 75:011907. 2007
    ..From this analysis we quantify two relaxation processes. We associate the fast relaxation with translational diffusion of lipid and water molecules while the slow process likely stems from collective dynamics...
  76. pmc Hydration dynamics near a model protein surface
    Daniela Russo
    Department of Bioengineering, University of California at Berkeley, Berkeley, California 94720, USA
    Biophys J 86:1852-62. 2004
    ..We discuss the hydration dynamics results of this model protein system in the context of protein function and protein-protein recognition...
  77. ncbi Effects of hydration water on protein methyl group dynamics in solution
    Daniela Russo
    CNR INFM and CRS Soft, c o Institut Laue Langevin, 6 rue J Horowitz, BP156, F 38042 Grenoble, France
    Phys Rev E Stat Nonlin Soft Matter Phys 75:040902. 2007
    ..They provide unique experimental evidence that the structural and dynamical properties of the interfacial water strongly influence the side-chain dynamics and the activation of diffusive motion...
  78. ncbi An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction
    G Chevrier
    Laboratoire Leon Brillouin, CEN Saclay, 91191 Gif sur Yvette, France
    Acta Crystallogr C 59:i59-62. 2003
    ..3H(2)O, have been studied by neutron diffraction in order to examine the structural behaviour of the compound in the 20-120 K temperature range and to ..
  79. ncbi Dynamics of Water in NaxCoO2.yH2O
    Niina Jalarvo
    Hahn Meitner Institut, Glienicker Strasse 100, 14109 Berlin, Germany
    J Phys Chem B 112:703-9. 2008
    ..Furthermore, our results indicate that, at room temperature, the sodium ions have no influence on the rotational dynamics of the "fast" water molecules...
  80. pmc Molecular dynamics decomposition of temperature-dependent elastic neutron scattering by a protein solution
    Jennifer A Hayward
    Interdisciplinary Centre for Computational Science JWR, University of Heidelberg, Heidelberg, Germany
    Biophys J 85:679-85. 2003
    ..The proportion that the external dynamics contributes to the protein mean-square displacement increases to approximately 30 and 60% at 300 K on the 10- and 100-ps timescales, respectively...
  81. pmc Detection of ligand- and solvent-induced shape alterations of cell-growth-regulatory human lectin galectin-1 in solution by small angle neutron and x-ray scattering
    Lizhong He
    Institute for Coastal Research, Physical and Chemical Analysis, Geesthacht, Germany
    Biophys J 85:511-24. 2003
    ..We have hereby proven that ligand presence and an aprotic solvent significantly affect the shape of galectin-1 in solution...
  82. pmc Refolding of a high molecular weight protein: salt effect on collapse
    D Lairez
    Laboratoire Leon Brillouin, Gif sur Yvette, France
    Biophys J 84:3904-16. 2003
    ..This behavior is discussed with respect to the scaling theories for polymers and polyampholytes...
  83. ncbi Determination of bilayer thickness and lipid surface area in unilamellar dimyristoylphosphatidylcholine vesicles from small-angle neutron scattering curves: a comparison of evaluation methods
    Norbert Kucerka
    Department of Chemical Theory of Drugs, Faculty of Pharmacy, Comenius University, Kalinciakova 8, 832 32, Bratislava, Slovakia
    Eur Biophys J 33:328-34. 2004
    ..5 A(3), it was possible to obtain from the experimental data the DMPC surface area as 58.9+/-0.8 A(2), the bilayer thickness as 44.5+/-0.3 A and the number of water molecules as 6.8+/-0.2 per DMPC located in the bilayer polar region...
  84. pmc Lipid bilayer structure determined by the simultaneous analysis of neutron and X-ray scattering data
    Norbert Kucerka
    Canadian Neutron Beam Centre, National Research Council, Chalk River, Ontario K0J 1J0, Canada
    Biophys J 95:2356-67. 2008
    ....
  85. ncbi SANS/SAXS study of the BSA solvation properties in aqueous urea solutions via a global fit approach
    Raffaele Sinibaldi
    Dipartimento di Scienze Applicate ai Sistemi Complessi, Universita Politecnica delle Marche, Via Brecce Bianche, 60019 Ancona, Italy
    Eur Biophys J 37:673-81. 2008
    ..Results confirm that urea preferentially sticks to the protein surface, inducing a noticeable change in both the repulsive and the attractive interaction potentials...
  86. pmc Hydration dependence of active core fluctuations in bacteriorhodopsin
    Kathleen Wood
    Institut Laue Langevin, BP 156, F 38042 Grenoble Cedex 9, France
    Biophys J 95:194-202. 2008
    ..The results suggest that the inhibition of high-amplitude motions by lowering hydration may play a key role in the slowing down of the photocycle and the proton pumping activity of BR...
  87. ncbi Water structure around dipeptides in aqueous solutions
    Sylvia E McLain
    Neutron Scattering Sciences Division and Center for Molecular Biophysics, Oak Ridge National Laboratory, P O Box 2008, Oak Ridge, TN 37831 6475, USA
    Eur Biophys J 37:647-55. 2008
    ..glycyl-L-proline and L:-alanyl-L-proline-has been determined by a combination of neutron diffraction with isotopic substitution and empirical potential structural refinement techniques...
  88. pmc Protein dynamics and stability: the distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering
    Lars Meinhold
    Heidelberg University, Interdisciplinary Center for Scientific Computing, Computational Molecular Biophysics, Heidelberg, Germany
    Biophys J 94:4812-8. 2008
    ..Therefore, these results imply that the thermophilic enzyme is the more flexible of the two...
  89. pmc Hydration effect on low-frequency protein dynamics observed in simulated neutron scattering spectra
    Yasumasa Joti
    Institute of Molecular and Cellular Biosciences, University of Tokyo, 1 1 1 Yayoi, Bunkyo ku, Tokyo 113 0032, Japan
    Biophys J 94:4435-43. 2008
    ..The fine structure of the dynamics structure factor is expected to be detected by the experiment if a high resolution instrument (< approximately 20 microeV) is developed in the near future...
  90. pmc Dynamics of C-phycocyanin in various deuterated trehalose/water environments measured by quasielastic and elastic neutron scattering
    Ingo Köper
    Laboratoire Léon Brillouin UMR 12 CEA CNRS, CEA Saclay, 91191, Gif sur Yvette Cedex, France
    Eur Biophys J 37:739-48. 2008
    ..These results suggest that a role of trehalose would be to stabilize proteins by inhibiting some fluctuations at the origin of protein unfolding and denaturation...
  91. pmc Protein structure and hydration probed by SANS and osmotic stress
    Christopher Stanley
    NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland, USA
    Biophys J 94:2777-89. 2008
    ..These results provide a framework for studying other biomolecular systems and assemblies using neutron scattering together with osmotic stress...
  92. ncbi Neutron protein crystallography: beyond the folding structure of biological macromolecules
    Nobuo Niimura
    Institute of Applied Beam Science, Graduate School of Science and Engineering, Ibaraki University, 4 12 1 Naka Narusawa, Hitachi, Ibaraki 316 8511, Japan
    Acta Crystallogr A 64:12-22. 2008
    b>Neutron diffraction provides an experimental method of directly locating H atoms in proteins, a technique complementary to ultra-high-resolution X-ray diffraction...
  93. ncbi Neutron diffraction and simulation studies of CsNO3 and Cs2CO3 solutions
    Philip E Mason
    Department of Food Science, Stocking Hall, Cornell University, Ithaca, New York 14853, USA
    J Am Chem Soc 128:15136-44. 2006
    b>Neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD) simulations have been used to study the structuring in aqueous solution of two cesium salts, cesium carbonate, and cesium nitrate...
  94. ncbi X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions
    S Ansell
    ISIS Division, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, UK
    Biophys Chem 124:171-9. 2006
    ..focus on the structural properties of ions in water and it will be shown how the 'difference' methods of neutron diffraction with isotopic substitution (NDIS) and anomalous X-ray diffraction (AXD) can be used to obtain direct ..
  95. pmc The 15-K neutron structure of saccharide-free concanavalin A
    M P Blakeley
    European Molecular Biology Laboratory, 6 rue Jules Horowitz, B P 181, 38042 Grenoble 9, France
    Proc Natl Acad Sci U S A 101:16405-10. 2004
    ..Methodologically, this successful neutron cryo protein structure refinement opens up categories of neutron protein crystallography, including freeze-trapped structures and cryo to room temperature comparisons...
  96. ncbi Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction
    Jens Hunger
    Institut fur Anorganische Chemie, Universitat Leipzig, Johannisallee 29, D 04103 Leipzig, Germany
    J Phys Chem B 110:342-53. 2006
    ..We find strong evidence for the formation of cyclic hexamers of water molecules localized in the 12-ring windows, which are further stabilized by hydrogen bonds to framework oxygen atoms...
  97. pmc Dynamic properties of an oriented lipid/DNA complex studied by neutron scattering
    F Natali
    INFM OGG, Grenoble, France
    Biophys J 88:1081-90. 2005
    ..Our results show that a substantial modification of the membrane dynamics is accompanied by the balancing of the total net charge inside the complex, together with the consequent displacement of interlayer water molecules...
  98. ncbi Structure and interaction in protein solutions as studied by small-angle neutron scattering
    S Chodankar
    Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India
    Phys Rev E Stat Nonlin Soft Matter Phys 72:041931. 2005
    ..The time dependent data have been used to obtain the fraction of crystallization as a function of time...
  99. ncbi The structure of aqueous guanidinium chloride solutions
    Philip E Mason
    Contribution from the Department of Food Science, Stocking Hall, Cornell University, Ithaca, NY 14853, USA
    J Am Chem Soc 126:11462-70. 2004
    The combination of neutron diffraction with isotopic substitution (NDIS) experiments and molecular dynamics (MD) simulations to characterize the structuring in an aqueous solution of the denaturant guanidinium chloride is described...
  100. ncbi Collective dynamics of lipid membranes studied by inelastic neutron scattering
    M C Rheinstädter
    Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9, France
    Phys Rev Lett 93:108107. 2004
    ..Finally, we can clearly identify an additional nondispersive (optical) mode predicted by molecular dynamics simulations [Phys. Rev. Lett. 87, 238101 (2001)]]...
  101. ncbi Nanometer-scale ion aggregates in aqueous electrolyte solutions: guanidinium sulfate and guanidinium thiocyanate
    P E Mason
    Department of Food Science, Stocking Hall, Cornell University, Ithaca, New York 14853, USA
    J Phys Chem B 109:24185-96. 2005
    b>Neutron diffraction experiments and molecular dynamics simulations are used to study the structure of aqueous solutions of two electrolytes: guanidinium sulfate (a mild protein conformation stabilizer) and guanidinium thiocyanate (a ..

Research Grants32

  1. Next Generation Neutron Diffraction Detector for Neuroscience
    W B FELLER; Fiscal Year: 2012
    DESCRIPTION (provided by applicant): NOVA Scientific proposes to adapt a powerful new type of neutron diffraction instrumentation for biological applications, a neutron counting and imaging detector called the MCP/Medipix detector...
  2. Making Sense of Voltage Sensors
    Stephen H White; Fiscal Year: 2013
    ..information about VSDs in fluid lipid bilayers through the concerted use of specific deuteration, neutron diffraction, neutron reflectivity, and molecular dynamics simulations...
  3. MECHANISMS OF ENZYMIC AND HYDRIDE TRANSFERS
    Gregory A Petsko; Fiscal Year: 2012
    ..The specific methods we will employ include ultra-high resolution X-ray crystallography, neutron diffraction, combined QM/MM calculations, site-directed mutagenesis plus kinetic analysis, and a novel method for ..
  4. Mechanism of intrinsic hydrolysis in Ras and the effect of Raf on oncogenic mutan
    Carla Mattos; Fiscal Year: 2009
    ..The third aim focuses on X-ray crystallography and neutron diffraction to study the intrinsic hydrolysis mechanism in Ras and oncogenic mutants...
  5. Computational/Experimental Modeling of Aqueous Environments in Biology
    John W Brady; Fiscal Year: 2013
    ..Thus, in this collaborative project, we will determine structural data from new neutron diffraction experiments and we will develop new, structure-based solute-water potentials for water, ions, and co-..
  6. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David N Silverman; Fiscal Year: 2012
    ..Crystal structures of important mutants will be determined by X-ray and neutron diffraction, and we will attempt to observe hydrogen atoms in proton transfer pathways...
  7. Structural Basis for Bridged Bimetallic Enzyme Catalysis
    Dagmar Ringe; Fiscal Year: 2009
    ..mutagenesis, kinetic analysis, inhibitor design and synthesis, ultra-high resolution X-ray crystallography, neutron diffraction, and combined quantum mechanics/molecular mechanics simulations to probe the role of the second shell ..
  8. STRUCTURE OF BACTERIAL MEMBRANE PROTEINS
    R Garavito; Fiscal Year: 1992
    ..The X-ray studies will be done in conjuction with low resolution (15-16 Angstroms) neutron diffraction on single crystals and D2O/H2O density matching experiments to determine the general topography of the ..
  9. STRUCTURAL ELECTRON MICRSCOPY FACILITY
    CHRISTOPHER AKEY; Fiscal Year: 1991
    ..Combined structural analysis of M13 phage and bacterial pili by x-ray and neutron diffraction coupled with cryo-electron microscopy will allow a greater insight into the fundamental principles involved ..
  10. NEUTRON DIFFRACTION STUDIES OF MUSCLE CONTRACTION
    ROBERT MENDELSON; Fiscal Year: 1993
    ..increase during contraction as it does in X-ray diffraction? (7) What are the phases of the equatorial neutron diffraction pattern from rigor vertebrate muscle? Can the low-resolution structure of rigor muscle fibers be determined ..
  11. NEUTRON DIFFRACTION STUDIES OF VIRUSES
    Lee Makowski; Fiscal Year: 1992
    ..b>Neutron diffraction from specifically deuterated phage particles has been used to determine the positions of the five valine ..
  12. STRUCTURAL CHEMICAL STUDIES OF METABOLIC PHOSPHATES
    Robert Blessing; Fiscal Year: 1992
    ..Our principal studies are highly accurate single-crystal X-ray and neutron diffraction analyses that extend to detailed analyses of the terminal vibrations and electron density distributions in ..
  13. NEUTRON DETECTORS FOR MACROMOLECULAR CRYSTALLOGRAPHY
    KRISHNA MANDAL; Fiscal Year: 2004
    ..b>Neutron diffraction provides a unique approach to investigate the structural biology by determining the position of hydrogen ..
  14. Neutron Diffraction and MD Studies of the Studies of the Structure of Aqueous Sol
    John W Brady; Fiscal Year: 2010
    ..structure of aqueous solutions of complex biomolecular solutes using a combination of MD simulations and neutron diffraction with isotopic substitution (NDIS) experiments...
  15. NOVEL NEUTRON SENSOR FOR MACROMOLECULAR CRYSTALLOGRAPHY
    Gerald Entine; Fiscal Year: 2001
    ..While x-ray diffraction gives excellent structural information, neutron diffraction provides complimentary information regarding the positions of light atoms such as hydrogen...
  16. Cold Neutrons For Biology And Technology
    Stephen White; Fiscal Year: 2005
    ..At the same time, a high-performance computer system will be put in place to support the concerted use of neutron diffraction and molecular dynamics methods in order to deduce 3-D structural information from 1- or 2-D diffraction ..
  17. NEUTRON STUDIES OF PROTEIN DYNAMICS AND SOLVATION
    Anthony Kossiakoff; Fiscal Year: 1991
    ..proposed that couples the capabilities of protein engineering and crystallographic techniques, particularly neutron diffraction. The protein, subtilisin, has been genetically engineered to alter, in a controlled way, several ..
  18. Concerted membrane diffraction and simulation studies
    Stephen White; Fiscal Year: 2006
    ..These new methods involve the concerted use of molecular dynamics simulations and x-ray & neutron diffraction measurements to obtain dynamic structural images of peptide-bilayer interactions in thermally disordered ..
  19. CANNABINOID EFFECTS AND CANNAMIMETIC DRUGS
    Alexandros Makriyannis; Fiscal Year: 1999
    ..using 2/H-solid-state NMR; (c) their location and conformation in the membranes using small angle X-ray and neutron diffraction; (d) their local environment in the membranes using high resolution NMR techniques for solids...
  20. LIPID CRYSTALLOGRAPHY
    BRYAN CRAVEN; Fiscal Year: 1993
    This proposal has three parts, differing in objectives but all involving the study of lipids by X-ray or neutron diffraction. (I) Our crystal structure determinations of cholesteryl esters will be extended to include polar lipids, such ..
  21. 2006 Diffraction Methods in Structual Biology Conference
    Paul Adams; Fiscal Year: 2006
    ..Sessions in the 2006 meeting include presentations about neutron diffraction, electron microscopy techniques, electron diffraction, and whole cell diffraction imaging...
  22. NEUTRON DETECTOR FOR PROTEIN CRYSTALLOGRAPHY
    Jeffrey Lacy; Fiscal Year: 2006
    ..Among crystallography techniques, single crystal neutron diffraction (SCD) has the unique ability to provide this information...
  23. MEMBRANE PROTEIN CRYSTALLIZATION WORKSHOP
    Janusz Sowadski; Fiscal Year: 1993
    ..The seminars include: Detergent structure in membrane protein crystals by neutron diffraction. General properties of membrane proteins...
  24. NEUTRON DETECTOR FOR PROTEIN CRYSTALLOGRAPHY
    Jeffrey Lacy; Fiscal Year: 2003
    ..Among crystallography techniques, single crystal neutron diffraction (SCD) has the unique ability to provide this information...
  25. A Gold-Standard for Hydrogen Sites
    WALTER NOVAK; Fiscal Year: 2007
    ..resolution as a function of different pH values, and will compare those results with a similar series of neutron diffraction structures on the same proteins, where the hydrogen atoms can be observed directly...
  26. CRYSTALLOGRAPHIC ANALYSIS OF PROTEIN ELECTROSTATICS
    Robert Blessing; Fiscal Year: 2006
    ..Both problems will be analyzed by both X-ray and neutron diffraction.
  27. STRUCTURAL BIOLOGY OF AIDS RELATED PROJECTS
    STANLEY OPELLA; Fiscal Year: 2002
    ..drug development, including NMR spectroscopy, x-ray crystallography, molecular dynamics simulations, and neutron diffraction. The structural results will be integrated with the functional analysis of Vpu as an ion channel...
  28. New Hydropathy-Based computer Tools for Drug Discovery
    GLEN KELLOGG; Fiscal Year: 2009
    ..Specific collaborative arrangements are in place to apply these tools to a range of current drug discovery problems. ..