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. 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
  5. 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
  6. ncbi Protein-water displacement distributions
    Wolfgang Doster
    Technische Universitat Munchen, Physik Department E 13, Garching, Germany
    Biochim Biophys Acta 1749:173-86. 2005
  7. doi 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
  8. 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
  9. 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
  10. doi 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

Research Grants

Detail Information

Publications260 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. 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 ..
  5. 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...
  6. 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...
  7. doi 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...
  8. 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...
  9. 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
    ....
  10. doi 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...
  11. 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...
  12. 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 ..
  13. 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...
  14. 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...
  15. 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...
  16. 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...
  17. 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...
  18. doi 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...
  19. 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...
  20. 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...
  21. 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...
  22. doi 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...
  23. 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...
  24. doi 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...
  25. 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...
  26. 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...
  27. 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 ..
  28. 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...
  29. doi 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...
  30. 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...
  31. doi 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) ..
  32. 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...
  33. doi 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...
  34. doi 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]...
  35. 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...
  36. 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 ..
  37. 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
  38. 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...
  39. 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 ..
  40. 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%...
  41. 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...
  42. 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
    ....
  43. 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...
  44. 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...
  45. 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...
  46. 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 ..
  47. 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...
  48. 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 ..
  49. 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
    ....
  50. 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
    ....
  51. 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 ..
  52. 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...
  53. 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...
  54. 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...
  55. 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...
  56. 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...
  57. doi 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
    ....
  58. 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...
  59. 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...
  60. 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 ..
  61. 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...
  62. 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...
  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 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...
  65. 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...
  66. ncbi Dispersion relation of lipid membrane shape fluctuations by neutron spin-echo spectrometry
    Maikel C Rheinstädter
    Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9, France
    Phys Rev Lett 97:048103. 2006
    ..The softening of a mode which can be associated with the formation of the ripple structure is observed close to the main phase transition...
  67. 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...
  68. 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 ..
  69. 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
    ....
  70. 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...
  71. 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...
  72. 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...
  73. 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...
  74. 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...
  75. 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...
  76. 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/..
  77. 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...
  78. 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...
  79. 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...
  80. 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...
  81. 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...
  82. 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...
  83. 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...
  84. ncbi Structural studies on the hydration of L-glutamic acid in solution
    Sylvia E McLain
    Rutherford Appleton Laboratory, ISIS Facility, Chilton, Didcot, Oxfordshire OX11 0QX, United Kingdom
    J Phys Chem B 110:21251-8. 2006
    A combination of neutron diffraction augmented with isotopic substitution and computer modeling using empirical potential structure refinement has been used to extract detailed structural information for L-glutamic acid dissolved in 2 M ..
  85. ncbi Ion solvation and water structure in potassium halide aqueous solutions
    Alan K Soper
    ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX, United Kingdom
    Biophys Chem 124:180-91. 2006
    ..8 ion pairs per 100 water molecules, using the combined techniques of neutron diffraction with hydrogen isotope substitution...
  86. 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...
  87. 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...
  88. 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...
  89. 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...
  90. 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...
  91. 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 ..
  92. 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...
  93. 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)]]...
  94. 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...
  95. 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...
  96. ncbi Neutron diffraction studies on rubredoxin from Pyrococcus furiosus
    Robert Bau
    Chemistry Department, University of Southern California, Los Angeles, CA 90007, USA
    J Synchrotron Radiat 11:76-9. 2004
    Single-crystal neutron diffraction data up to a resolution of 1...
  97. 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...
  98. ncbi X-ray and neutron diffraction studies and MD simulation of atomic configurations in polyamorphic Y2O3-Al2O3 systems
    M C Wilding
    Department of Geology and McClellan Nuclear Radiation Center, University of California at Davis, Davis, CA 95616, USA
    Philos Transact A Math Phys Eng Sci 363:589-607. 2005
    ..Calculated partial radial distribution functions indicate that the primary differences between HDA and LDA configurations occur among the Y-Y correlations...
  99. 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...
  100. 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...
  101. ncbi An assessment of the accuracy of methods for predicting hydrogen positions in protein structures
    Lucy R Forrest
    Department of Biochemistry and Molecular Biophysics, Columbia University, New York, New York 10032, USA
    Proteins 61:296-309. 2005
    ..9 A resolution), as well as of a number of relatively high-resolution neutron diffraction structures (< 1...

Research Grants72

  1. DETERMINING CARBOHYDRATE CONFORMATION FROM CD
    EUGENE STEVENS; Fiscal Year: 1992
    ..establish a definitive means of carbohydrate conformational analysis through the combined use of x-ray and neutron diffraction, molecular modeling, nmr and chiroptical methods...
  2. Structural Basis for Bridged Bimetallic Enzyme Catalysis
    Dagmar Ringe; Fiscal Year: 2007
    ..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 ..
  3. 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 ..
  4. Structural Basis for Bridged Bimetallic Enzyme Cataysis
    Dagmar Ringe; Fiscal Year: 2006
    ..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 ..
  5. THE STRUCTURE OF BACTERIAL MEMBRANE PROTEINS
    R Garavito; Fiscal Year: 1990
    ..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 ..
  6. MECHANISMS OF ENZYMIC AND HYDRIDE TRANSFERS
    Gregory A Petsko; Fiscal Year: 2010
    ..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 ..
  7. MECHANISMS OF ENZYMIC AND HYDRIDE TRANSFERS
    Gregory Petsko; Fiscal Year: 2009
    ..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 ..
  8. RESEARCH CENTER: ETIOLOGY & TREATMENT OF ALC DEPENDENCE
    ROGER MEYER; Fiscal Year: 1990
    ..IV will examine the disposition of ethanol in biological membranes at the angstrom level by using x-ray and neutron diffraction techniques...
  9. DESIGNED BINDING SITES ON SYNTHETIC PROTEINS--ANESTHETIC
    Jonas Johansson; Fiscal Year: 2000
    ..b>neutron diffraction. This will provide a detailed frame to evaluate hydrophobic, electrostatic and protein cavity contributions ..
  10. MEMBRANES AND ORGANELLES--STRUCTURE AND FUNCTION
    Sidney Fleischer; Fiscal Year: 1980
    ..e., R-SR and BDH-phospholipid complex, a variety of biophysical techniques including X-ray and neutron diffraction, and NMR will be used to obtain detailed molecular structure of the membrane, including motional parameters ..
  11. CRYSTALLOGRAPHIC STUDIES ON RIBOSOMAL PARTICLES
    Ada Yonath; Fiscal Year: 1991
    ..The X-ray crystallographic studies are being supported by electron microscopy, image reconstruction, neutron diffraction, biochemistry and genetics manipulation...
  12. CRYSTALLOGRAPHIC STUDIES ON RIBOSOMAL PARTICLES
    Ada Yonath; Fiscal Year: 1992
    ..The X-ray crystallographic studies are being supported by electron microscopy, image reconstruction, neutron diffraction, biochemistry and genetics manipulation...
  13. CRYSTALLOGRAPHIC STUDIES ON RIBOSOMAL PARTICLES
    Ada Yonath; Fiscal Year: 1993
    ..The X-ray crystallographic studies are being supported by electron microscopy, image reconstruction, neutron diffraction, biochemistry and genetics manipulation...
  14. 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 ..
  15. LUNG SURFACTANT: X-RAY AND NEUTRON DIFFRACTION STUDY
    Victor Skita; Fiscal Year: 1991
    The goal of this study is to gain a better understanding of pulmonary surfactant using x-ray and neutron diffraction methods on model and native surfactants...
  16. MECHANISM OF ION TRANSPORT THROUGH MEMBRANE CHANNELS
    Roger Koeppe; Fiscal Year: 1980
    ..A combination of neutron diffraction and x-ray diffraction will be used to further examine these structures, including the first use of ..
  17. 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 ..
  18. CONTROL OF MYOCARDIAL SARCOTUBULAR CALCIUM STORES
    Mark Entman; Fiscal Year: 1990
    ..non-translocated compartment will be studied in native and altered SR fractions using x-ray diffraction and neutron diffraction techniques...
  19. CONFORMATIONAL ASPECTS OF VISUAL EXCITATION
    LUBERT STRYER; Fiscal Year: 1980
    ..4) Neutron diffraction studies of intact retinas containing deuterated retinal will be carried out to determine the location of ..
  20. NEUTRON DIFFRACTION STUDIES OF MUSCLE CONTRACTION
    ROBERT MENDELSON; Fiscal Year: 1990
    ..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 ..
  21. EFFECTS OF CANNABINOIDS ON MEMBRANES
    Alexandros Makriyannis; Fiscal Year: 1990
    ..c) the topographical and geometrical features of the drug:membrane interactions using x-ray and neutron diffraction; (d) the cannabinoid local environment in the membrane using high resolution NMR techniques for solids (..
  22. EFFECTS OF CANNABINOIDS ON MEMBRANES
    Alexandros Makriyannis; Fiscal Year: 1992
    ..c) the topographical and geometrical features of the drug:membrane interactions using x-ray and neutron diffraction; (d) the cannabinoid local environment in the membrane using high resolution NMR techniques for solids (..
  23. Neutron Diffraction and MD Studies of the Studies of the Structure of Aqueous Sol
    John Brady; Fiscal Year: 2007
    ..structure of aqueous solutions of complex biomolecular solutes using a combination of MD simulations and neutron diffraction with isotopic substitution (NDIS) experiments...
  24. SITE DIRECTED ISOTOPE LABELING OF MEMBRANE PROTEINS
    Kenneth Rothschild; Fiscal Year: 2000
    ..to other proteins and can be used in conjunction with biophysical techniques such as solid state NMR, neutron diffraction and FTIR...
  25. Digital 2-D Neutron Detector for Protein Function Studies
    BIPIN SINGH; Fiscal Year: 2007
    ..will provide better understanding of disease progression, improved insights into viral structures through neutron diffraction studies...
  26. NEUTRON DIFFRACTION STUDIES OF VIRUSES
    Lee Makowski; Fiscal Year: 1990
    ..b>Neutron diffraction from specifically deuterated phage particles has been used to determine the positions of the five valine ..
  27. MOLECULAR BASIS OF CANNABINOID ACTIVITY
    Alexandros Makriyannis; Fiscal Year: 1992
    ..the topographical and geometrical features of the drug:membrane interactions using small angle x-ray and neutron diffraction; (d) the local environment of the drug in the membrane using high resolution NMR techniques for solids (..
  28. STRUCTURAL CHEMICAL STUDIES OF METABOLIC PHOSPHATES
    Robert Blessing; Fiscal Year: 1990
    ..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 ..
  29. X-RAY AND NEUTRON DIFFRACTION STUDIES OF CORNEAL STROMA
    GERALD ELLIOTT; Fiscal Year: 1980
    ..We have also calculated a preliminary Fourier synthesis for corneal collagen, for comparison with other collagens where data exists. ..
  30. Concerted membrane diffraction and simulation studies
    Stephen White; Fiscal Year: 2005
    ..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 ..
  31. Concerted membrane diffraction and simulation studies
    Stephen White; Fiscal Year: 2004
    ..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 ..
  32. 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 ..
  33. Concerted membrane diffraction and simulation studies
    Stephen White; Fiscal Year: 2005
    ..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 ..
  34. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David Silverman; Fiscal Year: 2009
    ..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...
  35. Concerted membrane diffraction and simulation studies
    Stephen White; Fiscal Year: 2003
    ..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 ..
  36. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David Silverman; Fiscal Year: 2006
    ..Crystal structures of important mutants will be determined by X-ray and neutron diffraction. We will determine specifically how distances, location, and environment in the active site influence the ..
  37. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David Silverman; Fiscal Year: 2005
    ..Crystal structures of important mutants will be determined by X-ray and neutron diffraction. We will determine specifically how distances, location, and environment in the active site influence the ..
  38. MOLEC DYNAMIC SIMULATIONS OF INHALED ANESTHETIC INTERACTIONS W/PEPTIDES & LIPID
    Michael Klein; Fiscal Year: 2002
    ..These calculations will produce models to assist the design and analysis of neutron diffraction experiments...
  39. MOLEC DYNAMIC SIMULATIONS OF INHALED ANESTHETIC INTERACTIONS W/PEPTIDES & LIPID
    Michael Klein; Fiscal Year: 2000
    ..These calculations will produce models to assist the design and analysis of neutron diffraction experiments...
  40. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David Silverman; Fiscal Year: 2007
    ..Crystal structures of important mutants will be determined by X-ray and neutron diffraction. We will determine specifically how distances, location, and environment in the active site influence the ..
  41. CATALYTIC MECHANISM OF CARBONIC ANHYDRASE
    David Silverman; Fiscal Year: 2004
    ..Crystal structures of important mutants will be determined by X-ray and neutron diffraction. We will determine specifically how distances, location, and environment in the active site influence the ..
  42. MOLEC DYNAMIC SIMULATIONS OF INHALED ANESTHETIC INTERACTIONS W/PEPTIDES & LIPID
    Michael Klein; Fiscal Year: 2002
    ..These calculations will produce models to assist the design and analysis of neutron diffraction experiments...
  43. MOLEC DYNAMIC SIMULATIONS OF INHALED ANESTHETIC INTERACTIONS W/PEPTIDES & LIPID
    Michael Klein; Fiscal Year: 2001
    ..These calculations will produce models to assist the design and analysis of neutron diffraction experiments...
  44. Making Sense of Voltage Sensors
    Stephen White; Fiscal Year: 2009
    ..information about VSDs in fluid lipid bilayers through the concerted use of specific deuteration, neutron diffraction, neutron reflectivity, and molecular dynamics simulations...
  45. Making Sense of Voltage Sensors
    Stephen H White; Fiscal Year: 2010
    ..information about VSDs in fluid lipid bilayers through the concerted use of specific deuteration, neutron diffraction, neutron reflectivity, and molecular dynamics simulations...
  46. 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 ..
  47. STRUCTURE AND FUNCTION OF NUCLEIC ACID THERAPEUTICS
    Martin Egli; Fiscal Year: 2006
    ..dsRNA-RNase H complexes; (5) Crystallographic analyses of artificial nucleic acid pairing systems; and (6) Neutron diffraction studies of a DNA duplex and high-resolution X-ray structures of DNAs carrying methylphosphonates...
  48. DIFFRACTION STUDIES OF THE BIOTIN VITAMERS
    George DeTitta; Fiscal Year: 1980
    ..Specifically, we propose to determine in a series of low-temperature, high accuracy X-ray and neutron diffraction experiments the charge density distributions of the 10 or so most probable reactants in the sequence: "CO2" ..
  49. CRYSTALLOGRAPHIC STUDIES ON RIBOSOMAL PARTICLES
    Ada Yonath; Fiscal Year: 1990
    ..The crystallographic work will be supported by biochemistry, electron microscopy and neutron diffraction. Ribosomal particles to which functional probes (e.g. cDNA or tRNA) are attracted will also be studied...
  50. CHARGE DENSITY IN BARBITURATE CRYSTAL STRUCTURES
    BRYAN CRAVEN; Fiscal Year: 1980
    ..Experimental charge density distributions in crystal structures will be determined from X-ray and neutron diffraction data by a least squares fit to a model consisting of rigid pseudoatoms...
  51. TOOTH ENAMEL APATITE AT THE ATOMIC LEVEL
    Robert Young; Fiscal Year: 1980
    ..Principal tools are X-ray and neutron diffraction, infrared and laser-Raman spectroscopy, deuterizability, and various chemical analysis methods...
  52. Cold Neutrons For Biology And Technology
    Stephen White; Fiscal Year: 2002
    ..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 ..
  53. Cold Neutrons For Biology And Technology
    Stephen White; Fiscal Year: 2004
    ..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 ..
  54. Neutron Diffraction and MD Studies of the Studies of the Structure of Aqueous Sol
    John Brady; Fiscal Year: 2009
    ..structure of aqueous solutions of complex biomolecular solutes using a combination of MD simulations and neutron diffraction with isotopic substitution (NDIS) experiments...
  55. 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 ..