A method for the quantification of the enantiomeric excess of two pharmaceutical active ingredients (ibuprofen and epinephrine) in the solid state based on coupling near infrared spectroscopy and chemometrics is proposed. In the case of ibuprofen, in the absence of excipients, the method resulted in an accurate prediction of the enantiopurity of the validation samples (RMSEP <2.0% and practically no bias). On the other hand, the use of "matrix-matched" standards, including the most commonly used excipients, allowed to extend the applicability of the approach also to the analysis of commercial drugs (RMSEP = 7.0%). As far as epinephrine is concerned, very accurate results were obtained (RMSEP<2% and bias = 0.5%). (C) 2014 Elsevier B.V. All rights reserved.

Quantification of the enantiomeric excess of two APIs by means of near infrared spectroscopy and chemometrics / Rigoni, Lorenzo; Venti, Sara; Bevilacqua, Marta; Bucci, Remo; Magri', Andrea; Magri', Antonio; Marini, Federico. - In: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. - ISSN 0169-7439. - STAMPA. - 133:(2014), pp. 149-156. (Intervento presentato al convegno 8th Colloquium on Chemiometricum Mediterraneum (CCM) tenutosi a Bevagna, ITALY nel JUN 30-JUL 04, 2013) [10.1016/j.chemolab.2014.02.004].

Quantification of the enantiomeric excess of two APIs by means of near infrared spectroscopy and chemometrics

BEVILACQUA, MARTA;BUCCI, Remo;MAGRI', Andrea;MAGRI', Antonio;MARINI, Federico
2014

Abstract

A method for the quantification of the enantiomeric excess of two pharmaceutical active ingredients (ibuprofen and epinephrine) in the solid state based on coupling near infrared spectroscopy and chemometrics is proposed. In the case of ibuprofen, in the absence of excipients, the method resulted in an accurate prediction of the enantiopurity of the validation samples (RMSEP <2.0% and practically no bias). On the other hand, the use of "matrix-matched" standards, including the most commonly used excipients, allowed to extend the applicability of the approach also to the analysis of commercial drugs (RMSEP = 7.0%). As far as epinephrine is concerned, very accurate results were obtained (RMSEP<2% and bias = 0.5%). (C) 2014 Elsevier B.V. All rights reserved.
2014
enantiomeric excess; epinephrine; ibuprofen; near infrared spectroscopy (nir); partial least squares (pls) regression
01 Pubblicazione su rivista::01a Articolo in rivista
Quantification of the enantiomeric excess of two APIs by means of near infrared spectroscopy and chemometrics / Rigoni, Lorenzo; Venti, Sara; Bevilacqua, Marta; Bucci, Remo; Magri', Andrea; Magri', Antonio; Marini, Federico. - In: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS. - ISSN 0169-7439. - STAMPA. - 133:(2014), pp. 149-156. (Intervento presentato al convegno 8th Colloquium on Chemiometricum Mediterraneum (CCM) tenutosi a Bevagna, ITALY nel JUN 30-JUL 04, 2013) [10.1016/j.chemolab.2014.02.004].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/539105
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