TL;DR: In this article, the crystal and molecular structure of cellulose Iβ were determined using synchrotron and neutron diffraction data recorded from oriented fibrous samples prepared by aligning cellulose microcrystals from tunicin.
Abstract: The crystal and molecular structure together with the hydrogen-bonding system in cellulose Iβ has been determined using synchrotron and neutron diffraction data recorded from oriented fibrous samples prepared by aligning cellulose microcrystals from tunicin. These samples diffracted both synchrotron X-rays and neutrons to better than 1 A resolution (>300 unique reflections; P21). The X-ray data were used to determine the C and O atom positions. The resulting structure consisted of two parallel chains having slightly different conformations and organized in sheets packed in a “parallel-up” fashion, with all hydroxymethyl groups adopting the tg conformation. The positions of hydrogen atoms involved in hydrogen-bonding were determined from a Fourier-difference analysis using neutron diffraction data collected from hydrogenated and deuterated samples. The hydrogen atoms involved in the intramolecular O3···O5 hydrogen bonds have well-defined positions, whereas those corresponding to O2 and O6 covered a wider v...
TL;DR: In this article, a structural model based on intrachain ordering was proposed to account for the changes of the absorption spectrum of poly(9,9-dioctylfluorene) (PFO) films under certain physicochemical treatment protocols.
Abstract: From photophysical evidence, we suggest a structural model based on intrachain ordering that can account for the changes of the absorption spectrum of poly(9,9-dioctylfluorene) (PFO) films under certain physicochemical treatment protocols. We correlate this model to the results of X-ray fiber diffraction experiments.
TL;DR: The F-actin model has been refined by a Directed Mutation Algorithm, a reiterative procedure which combines a Monte-Carlo method of selecting subdomains to be refined at each cycle with a non-linear least-squares routine to get the best fit for the particular selected domains.
TL;DR: In this article, the authors describe lattice planes and directions in crystals: Miller indices and zone axis symbols, the reciprocal lattice, and the diffraction of light and electrons.
Abstract: 1. Crystals and crystal structure 2. Two-dimensional patterns, lattices, and symmetry 3. Bravais lattices and crystal systems 4. Crystal symmetry, point groups, and crystal structures: the external symmetry of crystals 5. Describing lattice planes and directions in crystals: Miller indices and zone axis symbols 6. The reciprocal lattice 7. The diffraction of light 8. X-ray diffraction: The contributions of M. von Laue, W.H. and W.L. Bragg, and P.P. Ewald 9. The diffraction of X-rays and electrons 10. X-rays and electron diffraction of polycrystalline materials Appendix 1. Useful components for a crystallography model-building kit and suppliers Appendix 2. Computer programs in crystallography Appendix 3. Biographical notes on crystallographers and scientists mentioned in the text Appendix 4. Some useful crystallographic relationships Appendix 5. A simple introduction to vectors and complex numbers and their uses in crystallography Appendxix 6. Systematic absences (extinctions) in X-ray diffraction and double diffraction in electron diffraction patterns Answers to exercises Further reading Index
TL;DR: The structure of the tobacco mosaic virus (TMV) was determined by fiber diffraction methods at 2.9 A resolution, and refined by restrained least-squares to an R -factor of 0.096 as discussed by the authors.