DOE Patents title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:

Crystal structure and bonding of ordered C60
journal, September 1991


Local intermolecular correlations in C 60
journal, April 1992


Ab initio determination of solid-state nanostructure
journal, March 2006


Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9
journal, March 2009


Crystal nucleation and growth of indomethacin polymorphs from the amorphous state
journal, July 2000


PolySNAP: a computer program for analysing high-throughput powder diffraction data
journal, July 2004


Analysis of Amorphous and Nanocrystalline Solids from Their X-Ray Diffraction Patterns
journal, September 2006


Assessment of Defects and Amorphous Structure Produced in Raffinose Pentahydrate upon Dehydration
journal, May 2007


The Problem with Determining Atomic Structure at the Nanoscale
journal, April 2007


Nanoscale structural order from the atomic pair distribution function (PDF): There's plenty of room in the middle
journal, July 2008


PDF from X-ray powder diffraction for nanometer-scale atomic structure analysis of quasicrystalline alloys
journal, January 2005


The nature of crystal disorder in milled pharmaceutical materials
journal, December 2008


Rapid-acquisition pair distribution function (RA-PDF) analysis
journal, November 2003


Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles
journal, April 2009


Characterizing an Amorphous System Exhibiting Trace Crystallinity: A Case Study with Saquinavir
journal, January 2008


Finite size effects of nanoparticles on the atomic pair distribution functions
journal, October 2006


Pair distribution function X‐ray analysis explains dissolution characteristics of felodipine melt extrusion products
journal, April 2009


RAD, a program for analysis of X-ray diffraction data from amorphous materials for personal computers
journal, August 1989


High Real-Space Resolution Measurement of the Local Structure of Ga 1 x In x As Using X-Ray Diffraction
journal, November 1999


Polyhedral Units and Network Connectivity in Calcium Aluminosilicate Glasses from High-Energy X-Ray Diffraction
journal, October 2000


PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004


A profile refinement method for nuclear and magnetic structures
journal, June 1969


Crystal Structures of Pigment Red 170 and Derivatives, as Determined by X-ray Powder Diffraction
journal, February 2006