X-ray characterization of solid small molecule organic materials
Abstract
The present invention provides, inter alia, methods of characterizing a small molecule organic material, e.g., a drug or a drug product. This method includes subjecting the solid small molecule organic material to x-ray total scattering analysis at a short wavelength, collecting data generated thereby, and mathematically transforming the data to provide a refined set of data.
- Inventors:
- Issue Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1133820
- Patent Number(s):
- 8751168
- Application Number:
- 12/802,064
- Assignee:
- The Trustees of Columbia University in the City of New York (New York, NY)
- Patent Classifications (CPCs):
-
G - PHYSICS G01 - MEASURING G01N - INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
- DOE Contract Number:
- AC02-98CH10886
- Resource Type:
- Patent
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Billinge, Simon, Shankland, Kenneth, Shankland, Norman, and Florence, Alastair. X-ray characterization of solid small molecule organic materials. United States: N. p., 2014.
Web.
Billinge, Simon, Shankland, Kenneth, Shankland, Norman, & Florence, Alastair. X-ray characterization of solid small molecule organic materials. United States.
Billinge, Simon, Shankland, Kenneth, Shankland, Norman, and Florence, Alastair. Tue .
"X-ray characterization of solid small molecule organic materials". United States. https://www.osti.gov/servlets/purl/1133820.
@article{osti_1133820,
title = {X-ray characterization of solid small molecule organic materials},
author = {Billinge, Simon and Shankland, Kenneth and Shankland, Norman and Florence, Alastair},
abstractNote = {The present invention provides, inter alia, methods of characterizing a small molecule organic material, e.g., a drug or a drug product. This method includes subjecting the solid small molecule organic material to x-ray total scattering analysis at a short wavelength, collecting data generated thereby, and mathematically transforming the data to provide a refined set of data.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {6}
}
Works referenced in this record:
Beyond crystallography: the study of disorder, nanocrystallinity and crystallographically challenged materials with pair distribution functions
journal, January 2004
- Billinge, Simon J. L.; Kanatzidis, M. G.
- Chemical Communications, Issue 7
Crystal structure and bonding of ordered C60
journal, September 1991
- David, William I. F.; Ibberson, Richard M.; Matthewman, Judy C.
- Nature, Vol. 353, Issue 6340
Local intermolecular correlations in
journal, April 1992
- Hu, Ruizhong; Egami, T.; Li, Fang
- Physical Review B, Vol. 45, Issue 16
Ab initio determination of solid-state nanostructure
journal, March 2006
- Juhás, P.; Cherba, D. M.; Duxbury, P. M.
- Nature, Vol. 440, Issue 7084
Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9
journal, March 2009
- Schmidt, Martin U.; Brühne, Stefan; Wolf, Alexandra K.
- Acta Crystallographica Section B Structural Science, Vol. 65, Issue 2, p. 189-199
Crystal nucleation and growth of indomethacin polymorphs from the amorphous state
journal, July 2000
- Andronis, Vlassios; Zografi, George
- Journal of Non-Crystalline Solids, Vol. 271, Issue 3, p. 236-248
PolySNAP: a computer program for analysing high-throughput powder diffraction data
journal, July 2004
- Barr, Gordon; Dong, Wei; Gilmore, Christopher J.
- Journal of Applied Crystallography, Vol. 37, Issue 4, p. 658-664
Analysis of Amorphous and Nanocrystalline Solids from Their X-Ray Diffraction Patterns
journal, September 2006
- Bates, Simon; Zografi, George; Engers, David
- Pharmaceutical Research, Vol. 23, Issue 10
Assessment of Defects and Amorphous Structure Produced in Raffinose Pentahydrate upon Dehydration
journal, May 2007
- Bates, Simon; Kelly, Ron C.; Ivanisevic, Igor
- Journal of Pharmaceutical Sciences, Vol. 96, Issue 5
The Problem with Determining Atomic Structure at the Nanoscale
journal, April 2007
- Billinge, S. J. L.; Levin, I.
- Science, Vol. 316, Issue 5824
Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle
journal, July 2008
- Billinge, Simon J.L.
- Journal of Solid State Chemistry, Vol. 181, Issue 7, p. 1695-1700
PDF from X-ray powder diffraction for nanometer-scale atomic structure analysis of quasicrystalline alloys
journal, January 2005
- Brühne, Stefan; Uhrig, Eckhard; Luther, Klaus-Dieter
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 11
The nature of crystal disorder in milled pharmaceutical materials
journal, December 2008
- Chamarthy, Sai Prasanth; Pinal, Rodolfo
- Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 331, Issue 1-2, p. 68-75
Rapid-acquisition pair distribution function (RA-PDF) analysis
journal, November 2003
- Chupas, Peter J.; Qiu, Xiangyun; Hanson, Jonathan C.
- Journal of Applied Crystallography, Vol. 36, Issue 6, p. 1342-1347
Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles
journal, April 2009
- Farrow, Christopher L.; Billinge, Simon J. L.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 65, Issue 3, p. 232-239
Characterizing an Amorphous System Exhibiting Trace Crystallinity: A Case Study with Saquinavir
journal, January 2008
- Heinz, Andrea; Strachan, Clare J.; Atassi, Faraj
- Crystal Growth & Design, Vol. 8, Issue 1
Finite size effects of nanoparticles on the atomic pair distribution functions
journal, October 2006
- Kodama, Katsuaki; Iikubo, Satoshi; Taguchi, Tomitsugu
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 62, Issue 6, p. 444-453
Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis
journal, September 2007
- Masadeh, A. S.; Božin, E. S.; Farrow, C. L.
- Physical Review B, Vol. 76, Issue 11
Pair distribution function X‐ray analysis explains dissolution characteristics of felodipine melt extrusion products
journal, April 2009
- Nollenberger, K.; Gryczke, A.; Meier, Ch.
- Journal of Pharmaceutical Sciences, Vol. 98, Issue 4
RAD, a program for analysis of X-ray diffraction data from amorphous materials for personal computers
journal, August 1989
- Petkov, V.
- Journal of Applied Crystallography, Vol. 22, Issue 4, p. 387-389
High Real-Space Resolution Measurement of the Local Structure of Using X-Ray Diffraction
journal, November 1999
- Petkov, V.; Jeong, I-K.; Chung, J. S.
- Physical Review Letters, Vol. 83, Issue 20
Polyhedral Units and Network Connectivity in Calcium Aluminosilicate Glasses from High-Energy X-Ray Diffraction
journal, October 2000
- Petkov, V.; Billinge, S. J. L.; Shastri, S. D.
- Physical Review Letters, Vol. 85, Issue 16
PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004
- Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
- Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
A profile refinement method for nuclear and magnetic structures
journal, June 1969
- Rietveld, H. M.
- Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71
Crystal Structures of Pigment Red 170 and Derivatives, as Determined by X-ray Powder Diffraction
journal, February 2006
- Schmidt, Martin U.; Hofmann, Detlef W. M.; Buchsbaum, Christian
- Angewandte Chemie International Edition, Vol. 45, Issue 8, p. 1313-1317