Home > Research > Publications & Outputs > Kinetics of phase transformations in crystals o...
View graph of relations

Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction

Research output: Contribution to journalJournal articlepeer-review

Published

Standard

Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction. / ANWAR, J; Barnes, P.

In: Phase Transitions, Vol. 39, No. 1-4, 1992, p. 3-11.

Research output: Contribution to journalJournal articlepeer-review

Harvard

APA

Vancouver

Author

Bibtex

@article{da1e19ff644c4d1db5b8a802add0a26d,
title = "Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction",
abstract = "The kinetics of the structural phase transformation of form IV to form I of sulphathiazole have been studied using time-resolved powder x-ray diffraction (PXRD). The data present significant challenges to any form of rigorous analysis, and serve to illustrate the complications of analysing time-resolved PXRD data. The complications include poor spatial resolution coupled with gross peak-overlap, and kinetic effects due to the use of a scanning detector which cause variation of the relative integrated intensities and distortion of the diffraction patterns with respect to the 2theta axis.To analyse such time-resolved data a new pattern decomposition method has been proposed. The method is based on the profile fitting approach utilising lattice parameters. The problems of peak overlap and correlation in the fitted intensities are overcome by the use of restraints; the restraints attempt to maintain the relative integrated intensities within each phase in the mixed sample at the values observed for the pure components. The method is ideally suited to the analysis of time-resolved data and enables reduction of the data to a high precision.",
keywords = "KINETICS, SULFATHIAZOLE, RIETVELD METHOD, PROFILE FITTING, POWDER X-RAY DIFFRACTION, PHASE TRANSFORMATION, POLYMORPHISM",
author = "J ANWAR and P Barnes",
year = "1992",
doi = "10.1080/01411599208203469",
language = "English",
volume = "39",
pages = "3--11",
journal = "Phase Transitions",
issn = "0141-1594",
publisher = "Taylor and Francis Ltd.",
number = "1-4",

}

RIS

TY - JOUR

T1 - Kinetics of phase transformations in crystals of drug compounds using time-resolved powder x-ray diffraction

AU - ANWAR, J

AU - Barnes, P

PY - 1992

Y1 - 1992

N2 - The kinetics of the structural phase transformation of form IV to form I of sulphathiazole have been studied using time-resolved powder x-ray diffraction (PXRD). The data present significant challenges to any form of rigorous analysis, and serve to illustrate the complications of analysing time-resolved PXRD data. The complications include poor spatial resolution coupled with gross peak-overlap, and kinetic effects due to the use of a scanning detector which cause variation of the relative integrated intensities and distortion of the diffraction patterns with respect to the 2theta axis.To analyse such time-resolved data a new pattern decomposition method has been proposed. The method is based on the profile fitting approach utilising lattice parameters. The problems of peak overlap and correlation in the fitted intensities are overcome by the use of restraints; the restraints attempt to maintain the relative integrated intensities within each phase in the mixed sample at the values observed for the pure components. The method is ideally suited to the analysis of time-resolved data and enables reduction of the data to a high precision.

AB - The kinetics of the structural phase transformation of form IV to form I of sulphathiazole have been studied using time-resolved powder x-ray diffraction (PXRD). The data present significant challenges to any form of rigorous analysis, and serve to illustrate the complications of analysing time-resolved PXRD data. The complications include poor spatial resolution coupled with gross peak-overlap, and kinetic effects due to the use of a scanning detector which cause variation of the relative integrated intensities and distortion of the diffraction patterns with respect to the 2theta axis.To analyse such time-resolved data a new pattern decomposition method has been proposed. The method is based on the profile fitting approach utilising lattice parameters. The problems of peak overlap and correlation in the fitted intensities are overcome by the use of restraints; the restraints attempt to maintain the relative integrated intensities within each phase in the mixed sample at the values observed for the pure components. The method is ideally suited to the analysis of time-resolved data and enables reduction of the data to a high precision.

KW - KINETICS

KW - SULFATHIAZOLE

KW - RIETVELD METHOD

KW - PROFILE FITTING

KW - POWDER X-RAY DIFFRACTION

KW - PHASE TRANSFORMATION

KW - POLYMORPHISM

U2 - 10.1080/01411599208203469

DO - 10.1080/01411599208203469

M3 - Journal article

VL - 39

SP - 3

EP - 11

JO - Phase Transitions

JF - Phase Transitions

SN - 0141-1594

IS - 1-4

ER -