A review of near infrared spectroscopy and chemometrics in pharmaceutical technologies

Roggo, Yves; Chalus, Pascal; Maurer, Lene; Lema-Martinez, Carmen; Edmond, A.; Jent, Nadine

doi:10.1016/j.jpba.2007.03.023

Cited by 980 publications

(575 citation statements)

References 203 publications

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“…Monitoring powder blending process by using NIR spectroscopy has been investigated, [15][16][17] because it is highly desired to detect the homogeneity of mixed powder. The outline of the blending test setup is shown in Fig.…”

Section: B Blending Monitoring Testmentioning

confidence: 99%

A polychromator-type near-infrared spectrometer with a high-sensitivity and high-resolution photodiode array detector for pharmaceutical process monitoring on the millisecond time scale

Murayama

Genkawa

Ishikawa

et al. 2013

Review of Scientific Instruments

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In the fine chemicals industry, particularly in the pharmaceutical industry, advanced sensing technologies have recently begun being incorporated into the process line in order to improve safety and quality in accordance with process analytical technology. For estimating the quality of powders without preparation during drug formulation, near-infrared (NIR) spectroscopy has been considered the most promising sensing approach. In this study, we have developed a compact polychromator-type NIR spectrometer equipped with a photodiode (PD) array detector. This detector is consisting of 640 InGaAs-PD elements with 20-μm pitch. Some high-specification spectrometers, which use InGaAs-PD with 512 elements, have a wavelength resolution of about 1.56 nm when covering 900-1700 nm range. On the other hand, the newly developed detector, having the PD with one of the world's highest density, enables wavelength resolution of below 1.25 nm. Moreover, thanks to the combination with a highly integrated charge amplifier array circuit, measurement speed of the detector is higher by two orders than that of existing PD array detectors. The developed spectrometer is small (120 mm × 220 mm × 200 mm) and light (6 kg), and it contains various key devices including the high-density and high-sensitivity PD array detector, NIR technology, and spectroscopy technology for a spectroscopic analyzer that has the required detection mechanism and high sensitivity for powder measurement, as well as a high-speed measuring function for blenders. Moreover, we have evaluated the characteristics of the developed NIR spectrometer, and the measurement of powder samples confirmed that it has high functionality.

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Section: B Blending Monitoring Testmentioning

confidence: 99%

A polychromator-type near-infrared spectrometer with a high-sensitivity and high-resolution photodiode array detector for pharmaceutical process monitoring on the millisecond time scale

Murayama

Genkawa

Ishikawa

et al. 2013

Review of Scientific Instruments

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“…Furthermore, numerical methods facilitate the analysis of large sets of multivariate data. For these reasons, online spectroscopic measurements are nowadays widely used, probably more so than direct concentration measurements [13,14].…”

Section: List Of Symbolsmentioning

confidence: 99%

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Billeter¹,

Srinivasan²,

Bonvin³

2013

Analytica Chimica Acta

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Section: Introductionmentioning

confidence: 99%

“…5,41 It is non-destructive, requires minimum sample preparation, 41 and can be used to determine water 42 and residual solvents. 3 The near infrared spectroscopy (NIR) (800-2500 nm or 12821-4000 cm -1 ) 41 was reported to be the best method to differentiate between different water species. 5 Strong absorption bands for water occur in the NIR spectral region, 3,43 especially at 1420/1920 nm 43 (7040/5209 cm -1 ) and 1450/1940 nm 3,41 (6897/5150 cm -1 ).…”

Section: Introductionmentioning

confidence: 99%

“…3 The near infrared spectroscopy (NIR) (800-2500 nm or 12821-4000 cm -1 ) 41 was reported to be the best method to differentiate between different water species. 5 Strong absorption bands for water occur in the NIR spectral region, 3,43 especially at 1420/1920 nm 43 (7040/5209 cm -1 ) and 1450/1940 nm 3,41 (6897/5150 cm -1 ). According to Cao et al, 5 NIR spectra at 1860-2020 nm (OH stretching and OH bending) could be deconvoluted into individual spectra corresponding to hydrate and surface water of mannitol.…”

Section: Introductionmentioning

confidence: 99%

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Determination of volatiles in pharmaceutical certified reference materials

Nogueira¹,

Queiroz²,

Silva³

et al. 2012

J. Braz. Chem. Soc.

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Este trabalho compara os resultados obtidos na determinação de voláteis (água e solventes residuais) em novos materiais de referência certificados (MRC) ou candidatos a MRC dos ingredientes ativos farmacêuticos (API) captopril, metronidazol, diclofenaco sódico, diclofenaco potássico e furosemida, através do uso de diferentes técnicas: perda por dessecação (LOD), titulação coulométrica tipo Karl Fisher (KF), cromatografia gasosa (injeção por headspace estático) com detector por ionização em chama (sHS-GC-FID) e com espectrômetro de massas (sHS-GC-MS), análise termogravimétrica (TGA) e espectroscopia no infravermelho próximo (NIR) com análise estatística multivariada dos resultados. As três primeiras técnicas levaram a resultados complementares na determinação de voláteis, enquanto as outras duas mostraram pouca sensibilidade para a determinação de voláteis na faixa de concentração avaliada. A perda por dessecação foi considerada a técnica mais apropriada para determinação da fração mássica de voláteis a ser utilizada no cálculo do teor de API por balanço de massa.This work compares the results obtained for the determination of volatiles (water and residual solvents) in new certified reference materials (CRM) or candidate CRMs of the active pharmaceutical ingredients (API) captopril, metronidazole, sodium diclofenac, potassium diclofenac and furosemide, by means of different techniques: loss on drying (LOD), Karl Fischer (KF) coulometric titration, static headspace gas chromatography with flame ionization detection (sHS-GC-FID) and with mass spectrometry (sHS-GC-MS), thermogravimetric analysis (TGA) and near infrared spectroscopy (NIR) with multivariate chemometric analysis of results. The first three methods led to complementary results. The two other techniques were not sufficiently sensitive to determine volatiles in the concentration range evaluated. The loss on drying method was considered the most appropriate to determine the mass fraction of the volatiles to be used in the mass balance calculation of the API mass fraction in the pharmaceutical CRMs.Keywords: volatiles, water, residual solvents, active pharmaceutical ingredient (API), certified reference materials (CRM), analytical quality control IntroductionSeveral are the reasons for determining the mass fractions of water and residual solvents in pharmaceuticals, including their influence on the physicochemical 1-7 and microbiological stability of raw materials and finished products, their potential toxicity [1][2][3]8 and also economic aspects 9 since their presence results in analyte mass fractions smaller than 100%. Residual solvents may be introduced in active pharmaceutical ingredients (API) during their synthesis, especially if the final purification step is carried out by crystallization in different solvents, as well as during drug products formulation and manufacturing. 1,7,8 In the particular case of certified reference materials (CRM) of APIs, the determination of volatiles is essential both to demonstrate the compliance with Pharmacopeial acc...

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A review of near infrared spectroscopy and chemometrics in pharmaceutical technologies

Cited by 980 publications

References 203 publications

A polychromator-type near-infrared spectrometer with a high-sensitivity and high-resolution photodiode array detector for pharmaceutical process monitoring on the millisecond time scale

A polychromator-type near-infrared spectrometer with a high-sensitivity and high-resolution photodiode array detector for pharmaceutical process monitoring on the millisecond time scale

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Determination of volatiles in pharmaceutical certified reference materials

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