Determination of End-points for Polymorph Conversions of Crystalline Organic Compounds Using On-line Near-infrared Spectroscopy

Norris, Timothy; Aldridge, Paul K.; Sekulic, Sonja

doi:10.1039/a700782e

Cited by 84 publications

(53 citation statements)

References 6 publications

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“…Chemoinformetrical NIR spectroscopic methods 5 have been used to determine drug content, 6 drug stability, 7 the polymorphic content of pharmaceuticals, [8][9][10][11][12] as well as the particle size of powders. [13][14][15][16][17][18] The measurement of tablet hardness and predictions are therefore necessary for quality control in the pharmaceutical industry, since sufficient mechanical strength of the preparations is important during both the manufacturing process and transport.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of Tablet Hardness Prediction Using Chemoinformetric Near-Infrared Spectroscopy

Tanabe

Otsuka

2007

ANAL. SCI.

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Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of Tablet Hardness Prediction Using Chemoinformetric Near-Infrared Spectroscopy

Tanabe

Otsuka

2007

ANAL. SCI.

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“…Calibration methods such as multiple linear regression, principal component analysis/principal component regression (PCA/PCR), and partial least-squares regression are commonly used. 13 Chemoinfometric NIR spectroscopic methods were reported to determine tablet hardness, 14 drug stability, 15 tablet coating, 16 polymorphic contents of pharmaceuticals, [17][18][19][20] and particle size of powders. [21][22][23][24][25] However, there are few reports evaluating pharmaceutical properties of actual formulations for the soliddosage forms.…”

Section: Introductionmentioning

confidence: 99%

Chemometric evaluation of pharmaceutical properties of antipyrine granules by near-infrared spectroscopy

2003

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KEYWORDS: agitating granulation, physical properties, near-infrared spectroscopy, chemometrics, principle component regression analysisThe purpose of this research was to apply near-infrared (NIR) spectroscopy with chemometrics to predict the change of pharmaceutical properties of antipyrine granules during granulation by regulation of the amount of water added. The various kinds of granules (mean particle size, 70-750 µm) were obtained from the powder mixture (1 g of antipyrine, 6 g of hydroxypropylcellulose, 140 g of lactose, and 60 g of potato starch) by regulation of the added water amount (11-19 wt/wt%) in a high-speed mixer. The granules were characterized by mean particle size, angle of repose, compressibility, tablet porosity, and tablet hardness as parameters of pharmaceutical properties. To predict the pharmaceutical properties, NIR spectra of the granules were measured and analyzed by principal component regression (PCR) analysis. The mean particle size of the granules increased from 81 µm to 650 µm with an increase in the amount of water, and it was possible to make larger spherical granules with narrow particle size distribution using a high-speed mixer. Angle of repose, compressibility, and porosity of the tablets decreased with an increase of added water, but tablet hardness increased. The independent calibration models to evaluate particle size, angle of repose, and tablet porosity and hardness were established by using PCR based on NIR spectra of granules, respectively. The correlation coefficient constants of calibration curves for prediction of mean particle size, angle of repose, tablet porosity, and tablet hardness were 0.9109, 0.8912, 0.7437, and 0.8064, respectively. It is possible that the pharmaceutical properties of the granule, such as mean particle size, angle of repose, tablet porosity, and tablet hardness, could be predicted by an NIR-chemometric method.

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“…Calibration methods such as multiple linear regression (MLR), principal component analysis/principal component regression (PCA/PCR), and partial least squares regression are commonly used for quantitative NIR spectroscopy. [12][13][14][15][16][17][18][19][20] In our previous studies, 12,21 quantitative NIR spectroscopy was applied to evaluate the quality of bulk powder of pharmaceutical products. The degree of crystallinity and polymorphic content of indomethacin (IMC) bulk powder were evaluated by using MLR and PCR.…”

Section: Introductionmentioning

confidence: 99%

Comparative determination of polymorphs of indomethacin in powders and tablets by chemometrical near-infrared spectroscopy and X-ray powder diffractometry

et al. 2003

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KEYWORDS: near-infrared spectroscopy, chemometrics, polymorph, indomethacin, x-ray powder diffractometryThe purpose of this research was to develop a rapid chemometrical method based on near-infrared (NIR) spectroscopy to determine indomethacin (IMC) polymorphic content in mixed pharmaceutical powder and tablets. Mixed powder samples with known polymorphic contents of forms α and γ were obtained from physical mixing of 50% of IMC standard polymorphic sample and 50% of excipient mixed powder sample consisting of lactose, corn starch, and hydroxypropylcellulose. The tablets were obtained by compressing the mixed powder at 245 MPa. X-ray powder diffraction profiles and NIR spectra were recorded for 6 kinds of standard materials with various polymorphic contents. The principal component regression analysis was performed based on normalized NIR spectra sets of mixed powder standard samples and tablets. The relationships between the actual and predicted polymorphic contents of form g in the mixed powder measured using x-ray powder diffraction and NIR spectroscopy show a straight line with a slope of 0.960 and 0.995, and correlation coefficient constants of 0.970 and 0.993, respectively. The predicted content values of unknown samples by x-ray powder diffraction and NIR spectroscopy were reproducible and in close agreement, but those by NIR spectroscopy had smaller SDs than those by x-ray powder diffraction. The results suggest that NIR spectroscopy provides a more accurate quantitative analysis of polymorphic content in pharmaceutical mixed powder and tablets than does conventional x-ray powder diffractometry.

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Determination of End-points for Polymorph Conversions of Crystalline Organic Compounds Using On-line Near-infrared Spectroscopy

Cited by 84 publications

References 6 publications

Theoretical Analysis of Tablet Hardness Prediction Using Chemoinformetric Near-Infrared Spectroscopy

Theoretical Analysis of Tablet Hardness Prediction Using Chemoinformetric Near-Infrared Spectroscopy

Chemometric evaluation of pharmaceutical properties of antipyrine granules by near-infrared spectroscopy

Comparative determination of polymorphs of indomethacin in powders and tablets by chemometrical near-infrared spectroscopy and X-ray powder diffractometry

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