Hostname: page-component-78c5997874-xbtfd Total loading time: 0 Render date: 2024-11-19T13:37:50.710Z Has data issue: false hasContentIssue false
  • English
  • Français

Developments in formulation analyses by powder diffraction analysis

Published online by Cambridge University Press:  01 March 2012

T. G. Fawcett ,
J. Faber ,
F. Needham ,
S. N. Kabekkodu ,
C. R. Hubbard  and
J. A. Kaduk
T. G. Fawcett*
Affiliation:
International Centre for Diffraction Data, Newtown Square, Pennsylvania 19073
J. Faber
Affiliation:
International Centre for Diffraction Data, Newtown Square, Pennsylvania 19073
F. Needham
Affiliation:
International Centre for Diffraction Data, Newtown Square, Pennsylvania 19073
S. N. Kabekkodu
Affiliation:
International Centre for Diffraction Data, Newtown Square, Pennsylvania 19073
C. R. Hubbard
Affiliation:
Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
J. A. Kaduk
Affiliation:
Innovene USA LLC, Naperville, Illinois 60563
*
a)Electronic mail: [email protected]
Get access Rights & Permissions [Opens in a new window]

Abstract

Developments in X-ray analysis hardware and software have combined to dramatically improve the throughput, speed, and accuracy of formulation analyses. We will focus on a complimentary development, the growth and application of a comprehensive database based on the Powder Diffraction File™ (PDF®). The PDF is an edited and standardized combination of several crystallographic databases with ∼497 000 published entries. The comprehensive nature of this database, combined with phase identification and digital pattern simulations, was used to identify complex formulations with crystalline and noncrystalline ingredients. We will show how these parallel developments enhance the ability to correctly identify complex formularies.

Type
X-Ray Diffraction
Information
Powder Diffraction , Volume 21 , Issue 2 , June 2006 , pp. 105 - 110
Copyright
Copyright © Cambridge University Press 2006

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Faber, J. (2004). “ICDD’s New PDF-4 Organics Database: Search Indexes, Full Pattern Analysis and Data Mining,” Crystallogr. Rev. CRRVEN 10, 97–107.CrossRefGoogle Scholar
Fawcett, T. G., Faber, J., and Hubbard, C. R. (2004). “Formulation Analysis of Off-the-Shelf Pharmaceuticals,” Am. Pharm. Rev. 7(3), 80–83.Google Scholar
Gilmore, C. J., Barr, G., and Dong, W. (2004a). “High throughput powder diffraction. II. Applications of clustering methods and multivariate data analysis,” J. Appl. Crystallogr. JACGAR 37, 243–252.Google Scholar
Gilmore, C. J., Barr, G., Dong, W., and Faber, J. (2004b). “High throughput powder diffraction. III. The application of full profile pattern matching and multivariate statistical analysis to round robin type data sets,” J. Appl. Crystallogr. JACGAR 37, 635–642.Google Scholar
Kabekkodu, S. N., Faber, J., and Fawcett, T. G. (2002). “New Powder Diffraction File (PDF-4) in relational database format: Advantages and data-mining capabilities,” Acta Crystallogr. ASBSDK 10.1107/S0108768102002458 58, 333–337.CrossRefGoogle ScholarPubMed