Diffuse reflectance infrared Fourier transform spectroscopy for the quantitative analysis of mixtures of polymorphs

Hartauer, Kerry J.; Miller, Erik S.; Guillory, J. Keith

doi:10.1016/0378-5173(92)90145-r

Cited by 49 publications

(18 citation statements)

References 13 publications

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“…Examination of techniques based on infrared spectroscopy for potential use in polymorph analysis appears to be particularly promising in light of recent studies 34,37,45,47 and owing to the ubiquitous nature of such techniques. The FT-IR method utilizing mineral oil may not be an ideal technique for quantitative polymorph analysis, because it introduces unnecessary spectral interference associated with mineral oil as well as variation due to sample concentration.…”

Section: Resultsmentioning

confidence: 99%

“…For instance, diffuse reflectance FT-IR was applied to the quantitative analysis of binary mixtures of sulfamethoxazole polymorphs. 45 Application of ATR-FT-IR has also been reported for the identification of various pharmaceutical solids 46 and most recently for quantitative analysis of mixtures of three ganciclovir polymorphs. 47 These investigations lacked a comparison of FT-IR to other techniques for polymorph analysis.…”

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confidence: 99%

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Characterization and Quantitation of Aprepitant Drug Substance Polymorphs by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

et al. 2002

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In this study, we report the use of attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FT-IR) for the identification and quantitation of two polymorphs of Aprepitant, a substance P antagonist for chemotherapy-induced emesis. Mixtures of the polymorph pair were prepared by weight and ATR-FT-IR spectra of the powdered samples were obtained over the wavelength range of 700-1500 cm(-1). Significant spectral differences between the two polymorphs at 1140 cm(-1) show that ATR-FT-IR can provide definitive identification of the polymorphs. To investigate the feasibility of ATR-FT-IR for quantitation of polymorphic forms of Aprepitant, a calibration plot was constructed with known mixtures of the two polymorphs by plotting the peak ratio of the second derivative of absorbance spectra against the weight percent of form II in the polymorphic mixture. Using this novel approach, 3 wt % of one crystal form could be detected in mixtures of the two polymorphs. The accuracy of ATR-FT-IR in determining polymorph purity of the drug substance was tested by comparing the results with those obtained by X-ray powder diffractometry (XRPD). Indeed, polymorphic purity results obtained by ATR-FT-IR were found to be in good agreement with the predictions made by XRPD and compared favorably with actual values in the known mixtures. The present study clearly demonstrates the potential of ATR-FT-IR as a quick, easy, and inexpensive alternative to XRPD for the determination of polymorphic identity and purity of solid drug substances. The technique is ideally suited for polymorph analysis, because it is precise, accurate, and requires minimal sample preparation.

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Section: Resultsmentioning

confidence: 99%

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confidence: 99%

Characterization and Quantitation of Aprepitant Drug Substance Polymorphs by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

et al. 2002

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“…This sensitivity has led to the creation of many assays for classifying the crystallinity of a compound [50][51][52][53][54]. For example, sulfamethoxazole has two distinct polymorphic forms and, when studied in diffuse reflectance mode, distinct spectra can be identified that correspond to the different forms.…”

Section: Polymorphismsmentioning

confidence: 99%

Applications of FTIR Spectroscopic Imaging in Pharmaceutical Science

Kazarian

Wray

2010

Raman, Infrared, and Near‐Infrared Chemical Imaging

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“…This method is generally regarded as the method of choice for examination of polymorphs. 15,16 Tables I and II highlight the differ- A 3369 3057 -2948 1731 1638 1594 1528 --1194 1118 1090 1013 903 861 792 B 3345 3057 -2952 1700 1645 1594 1525 1379 1277 1199 1116 1099 1013 903 863 797 C 3404 3071 3024 2955 1718 1648 1596 1523 1372 1281 1198 1116 1092 1010 905 863 782 ences observed in the FTIR and DRIFTS spectra, respectively. These are noted as X, Y, and Z, which correspond to 4000 -2000, 2000 -1300, and 1300 -700 cm Ϫ1 regions, respectively.…”

Section: Resultsmentioning

confidence: 99%

Analysis of mebendazole polymorphs by Fourier transform IR spectrometry using chemometric methods

Aboul‐Enein

Bunaciu²,

Fleschin

2002

Biopolymers

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A diffuse reflectance IR Fourier transform IR spectrometry (DRIFTS) method was developed for the rapid, direct measurement of mebendazole in drugs. Conventional KBr spectra and DRIFTS spectra were compared for the best determination of the active substance in the drug formulations. Two chemometric approaches were used in the data processing: multicomponent partial least squares (PLS2) and principal component regression. The best results were obtained with the PLS2 method.

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Diffuse reflectance infrared Fourier transform spectroscopy for the quantitative analysis of mixtures of polymorphs

Cited by 49 publications

References 13 publications

Characterization and Quantitation of Aprepitant Drug Substance Polymorphs by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

Characterization and Quantitation of Aprepitant Drug Substance Polymorphs by Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy

Applications of FTIR Spectroscopic Imaging in Pharmaceutical Science

Analysis of mebendazole polymorphs by Fourier transform IR spectrometry using chemometric methods

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