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Reference materials for the study of polymorphism and crystallinity in cellulosics

  • T. G. Fawcett (a1), C. E. Crowder (a1), S. N. Kabekkodu (a1), F. Needham (a1), J. A. Kaduk (a2), T. N. Blanton (a3), V. Petkov (a4), E. Bucher (a5) and R. Shpanchenko (a6)...

Abstract

Eighty specimens of cellulosic materials were analyzed over a period of several years to study the diffraction characteristics resulting from polymorphism, crystallinity, and chemical substitution. The aim of the study was to produce and verify the quality of reference data useful for the diffraction analyses of cellulosic materials. These reference data can be used for material identification, polymorphism, and crystallinity measurements. Overall 13 new references have been characterized for publication in the Powder Diffraction File (PDF) and several others are in the process of publication.

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a)Author to whom correspondence should be addressed. Electronic mail: Fawcett@icdd.com

References

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Baker, A. A., Helbert, W., Sugiyama, J., and Miles, M. J. (2000). “New insight into cellulose structure by atomic force microscopy shows the Iα crystal phase in near-atomic resolution,” Biophys. J. 79, 11391145.
Barr, G., Dong, W., and Gilmore, C. J. (2004a). “High-throughput powder diffraction. II. Application of clustering methods and multivariant data analysis,” J. Appl. Cryst 37, 243252.
Barr, G., Dong, W., Gilmore, C. J., and Faber, J. (2004b). “High-throughput powder diffraction III: the application of full profile pattern matching and multivariate statistical analysis to round-robin and related powder diffraction data,” J. Appl. Cryst. 37, 635642.
Bates, S. (2010). The Amorphous State: A Structural Perspective, presented at PPXRD09, abstract available online at http://www.icdd.com/resources/ppxrd/index.asp
Bates, S., Zografi, G., Engers, D., Morris, K., Crowley, K., and Newman, A. (2006). “Analysis of amorphous and nanocrystalline solids from their X-ray diffraction patterns,” Pharm. Res. 23, 23332349.
Driemeier, C. and Galligari, G. A. (2011) “Theoretical and experimental developments for accurate determinations of crystallinity of cellulose I materials,” J. Appl. Cryst. 44, 184192.
Elazzouzi-Hafraoui, S., Nishiyama, Y., Putaux, J-L., Heux, L., Dubreuil, F., and Rochas, C. (2008). “The shape and size distribution of crystalline nanoparticles prepared by acid hydrolysis of native cellulose,” Biomacromolecules 9, 5765.
Faber, J. and Blanton, J. (2008). “Full pattern comparison of experimental and calculated powder patterns using the integral index method in PDF-4 +,” Powder Diffr. 23, 141145.
Faber, J., Weth, C. A., and Bridge, J. (2004). “A plug-in program to perform Hanawalt or Fink search, indexing using organic entries in the ICDD PDF-4/organic 2003 database,” Adv. X-ray Anal. 47, 166173.
Fawcett, T. G., Faber, J., Kabekkodu, S., McClune, F., Rafaja, D. (2005). “PDF-4 + , the materials identification database,” Microstruct. Anal. Mater. Sci. Freiburg 13, Germany, June 15–17.
Gilmore, C. J., Barr, G., and Paisley, J. (2004). “High-throughput powder diffraction. I. A new approach to qualitative and quantitative powder diffraction pattern analysis using full pattern profiles,” J. Appl. Cryst. 37, 231242.
Griffith, J. D., Wilcox, S., Powers, D. W., Nelson, R., and Baxter, B. K. (2008). “Discovery of abundant cellulose microfibers encased in 250 Ma Permian halite; macromolecular target in the search for life on other planets,” Astrobiology 8, 215228.
Hofmann, D. W. M. and Kuleshova, L. (2005). “New similarity index for crystal structure determination from X-ray powder diagrams,” J. Appl. Cryst. 38, 861866.
Hubbe, M. A., Venditti, R. A., and Rojas, O. J. (2007). “What happens to cellulosic fibers during papermaking and recyclingA review,” BioResources 2, 739788.
Kaduk, J. A. and Langan, P. (2002). “Crystal structures and powder patterns of celluloses 1α, 1β, and II,” presented at the PPXRD2 Symposium, Concordville, PA., December 2002. The structures and atomic parameters from this presentation were published in the Powder Diffraction File in 2006, by private communication and with permission of the authors.
Madsen, I. C., Scarlett, N. V. Y., and Kern, A. (2011). “Description and survey of methodologies for the determination of amorphous content via X-ray powder diffraction,” Z. Krist. 226, 944955.
Nishiyama, Y. (2009). “Structure and properties of the cellulose microfibril,” J. Wood Sci. 55, 241249.
Nishiyama, Y., Chanzy, H., Wada, M., Sugiyama, J., Mazeau, K., Forsyth, T., Riekel, C., Mueller, M., Rasmussen, B., and Langan, P. (2002). “Synchrotron X-ray and neutron fiber diffraction studies of cellulose polymorphs,” Adv. X-ray Anal. 45, 385390.
Nishiyama, Y., Sugiyama, J., Chanzy, H., and Langan, P. (2003). “Crystal structure and hydrogen bonding system in cellulose 1α, from synchrotron X-ray and neutron fiber diffraction,” JACS 125, 1430014306.
Petkov, V., Ren, Y., Kabekkodu, S., and Murphy, D. (2012). “Atomic pair distribution functions analysis on low-Z materials of limited degree of structural coherence,” Phys. Chem. Chem. Phys. (submitted).
Roche, E., Chanzy, H., Boudeulle, M., Marchessault, R. H., Sundarajan, P. (1978). “Three dimensional crystalline structure of cellulose triacetate II,” Macromolecules 11, 8694.
Scardi, P., Leoni, M., and Faber, J. (2006). “Diffraction line profile from a disperse system: a simple alternative to Voigtian profiles,” Powder Diffr. 21, 270277.
Sonneveld, E. J. and Visser, J. W. (1975). “Automatic collection of powder data from photographs,” J. Appl. Crystallogr. 8, 17.
Turley, J. W. (1965). X-ray Diffraction Patterns of Polymers (International Centre for Diffraction Data publishers, Newton Square, PA).
Wada, M., Yoshiharu, N., Chanzy, H., Forsyth, T., and Langan, P. (2008). “The structure of celluloses,” Adv. X-ray Anal. 51, 138144.
Wolkov, S. (2012). Appendices for the submission of grant data, Appendix 4: Instrumentation Summary, Appendix 5: Guidelines for the preparation of digitized X-ray powder patterns, available at www.icdd.com also see Calvert, L. D., Flippen-Anderson, J. L., Hubbard, C. R., Johnson, Q. C., Lenhert, P. G., Nichols, M. C., Parrish, W., Smith, D. K., Smith, C. S., Snyder, R. L., and Young, R. A. (1979). “The standard data form for powder diffraction data,” report of the subcommittee of the American Crystallographic Association, presented at the 1979 Symposium on Accuracy in Powder Diffraction, Washington, D.C., International Centre for Diffraction Data publishers.
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Powder Diffraction
  • ISSN: 0885-7156
  • EISSN: 1945-7413
  • URL: /core/journals/powder-diffraction
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