Applications of Raman spectroscopy to pharmacy

Fini, G.

doi:10.1002/jrs.1161

Cited by 100 publications

(72 citation statements)

References 18 publications

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“…7 Polymorphism/pseudopolymorphism reported by a given drug has become a major concern for pharmaceutics, since it has been recognized that differential crystal structures of a given chemical might exhibit different biopharmaceutical properties such as solubility, stability, and/or bioavailability. 8,9 The unexpected occurrence of polymorphic or pseudopolymorphic transitions may lead to severe pharmaceutical consequences, which can result in product development delay and commercial production disruption, as in the case of ritonavir. 10,11 Hydration and dehydration processes of a pharmaceutical solid during formulation development or in a final dosage form may adversely affect the physical, chemical, and/or biological performance of a pharmaceutical product.…”

Section: Introductionmentioning

confidence: 99%

Pseudopolymorphic transitions of niclosamide monitored by Raman spectroscopy

Sardo¹,

Amado²,

Ribeiro‐Claro³

2008

J Raman Spectroscopy

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Niclosamide suffers pseudopolymorphic transformations when exposed to different ambient conditions, which can lead to changes in its bioavailability. In this study, the kinetics of the pseudopolymorphic transitions of niclosamide crystals are characterized. FT-Raman spectroscopy is used to quantify the anhydrate and hydrate forms of niclosamide crystals, mostly because of its high sensitivity to the strong intermolecular interactions present in these systems. The samples are exposed to well-characterized relative humidity (RH) conditions during different periods of time and both water diffusion and polymorphic changes are monitored from the corresponding changes observed in the vibrational spectra. Both hydration and dehydration were found to be single-step processes, with a half-life time of ca. 142 and 63 h, respectively, at 24°C.

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Section: Introductionmentioning

confidence: 99%

Pseudopolymorphic transitions of niclosamide monitored by Raman spectroscopy

Sardo¹,

Amado²,

Ribeiro‐Claro³

2008

J Raman Spectroscopy

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“…[9][10][11][12][13][14][15][16][17] Despite the similar information content of Raman and infrared absorption (IR) spectroscopies, Raman presents several advantages over IR. In the particular context of the present work, the most relevant advantage is the low Raman activity of water vibrations, whose strong infrared activity tends to mask a wide IR spectrum range.…”

Section: Introductionmentioning

confidence: 99%

Probing Pseudopolymorphic Transitions in Pharmaceutical Solids using Raman Spectroscopy: Hydration and Dehydration of Theophylline

Amado

Nolasco

Ribeiro‐Claro

2007

Journal of Pharmaceutical Sciences

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Theophylline is known to undergo vapor phase induced hydrate-anhydrate pseudopolymorphic transformations, which can affect its bioavailability. In this work, the kinetics of the pseudopolymorphic transitions of theophylline crystals in different storage conditions is studied using a vibrational spectroscopic technique. While the hydration is a single-step process with a half-life time of ca. 5 h, the dehydration occurs through a two-step mechanism. In addition, the phase stability of hydrate-anhydrate systems in different relative humidity (RH) conditions was probed. The critical RH for anhydrous teophylline was found to be at ca. 79%, while the critical RH for dehydration is ca. 30%. ß

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“…Vibrational spectroscopy techniques are widely used in small molecule, solid-state API analysis. [1][2][3][4] These often require minimal sample preparation, and can provide much more chemical and structural information. [5][6] Solid-state forms like polymorphs, amorphous solids, salts, solvates, co-crystals can have different physicochemical properties due to the variations in their free energies and inter-and intra-molecular bonding, [7][8] thus accurate characterization and quantification of form or change is important.…”

Section: Introductionmentioning

confidence: 99%

Low-Content Quantification in Powders Using Raman Spectroscopy: A Facile Chemometric Approach to Sub 0.1% Limits of Detection

et al. 2015

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Publication InformationLi, B.; Calvet, A.; Casamayou-Boucau, Y.; Morris, C.; Ryder, A.G. (2015) 'Low-content quantification in powders using Raman spectroscopy: a facile chemometric approach to sub 0.1% limits of detection'. Analytical Chemistry, 87 (6):3419-3428. PublisherAmerican Chemical Society Low-content quantification in powders using Raman spectroscopy: a facile chemometric approach to sub 0.1% limits of detection.Boyan Li, Amandine Calvet, Yannick Casamayou-Boucau, Cheryl Morris, and Alan G. Ryder* Nanoscale Biophotonics Laboratory, School of Chemistry, National University of Ireland, Galway, Galway, Ireland.* To whom correspondence should be addressed.Tel: +3539149 2943 Email: alan.ryder@nuigalway.ie ABSTRACT A robust and accurate analytical methodology for low-content (<0.1%) quantification in the solid-state using Raman spectroscopy, sub-sampling, and chemometrics was demonstrated using a piracetam-proline model. The method involved a 5-step process: collection of relatively large number of spectra (8410) from each sample by Raman mapping, meticulous data pretreatment to remove spectral artefacts, use of a 0-100% concentration range partial least squares (PLS) regression model to estimate concentration at each pixel, use of a more-accurate, reduced concentration range PLS model to accurately calculate analyte concentration at each pixel, and finally statistical analysis of all 8000+ concentration predictions to produce an accurate overall sample concentration. The relative prediction accuracy was ~2.4% for a 0.05~1.0% concentration range and the limit of detection was comparable to high performance liquid chromatography (0.03% versus 0.041%). For data pretreatment, we developed a unique cosmic ray removal method and used an automated baseline correction method, neither of which required subjective user intervention and thus were fully automatable. The method is applicable to systems, which cannot be easily analyzed chromatographically such as hydrate, polymorph, or solvate contamination.

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Applications of Raman spectroscopy to pharmacy

Cited by 100 publications

References 18 publications

Pseudopolymorphic transitions of niclosamide monitored by Raman spectroscopy

Pseudopolymorphic transitions of niclosamide monitored by Raman spectroscopy

Probing Pseudopolymorphic Transitions in Pharmaceutical Solids using Raman Spectroscopy: Hydration and Dehydration of Theophylline

Low-Content Quantification in Powders Using Raman Spectroscopy: A Facile Chemometric Approach to Sub 0.1% Limits of Detection

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