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

Lorenzo Rigoni; Sara Venti; Marta Bevilacqua; Remo Bucci; Andrea D. Magrì; Antonio L. Magrì; Federico Marini

doi:10.1016/j.chemolab.2014.02.004

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

Lorenzo Rigoni, Sara Venti, Marta Bevilacqua, Remo Bucci, Andrea D. Magrì, Antonio L. Magrì, Federico Marini

7 Citations (Scopus)

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

Original language	English
Journal	Chemometrics and Intelligent Laboratory Systems
Volume	133
Pages (from-to)	149 - 156
ISSN	0169-7439
DOIs	https://doi.org/10.1016/j.chemolab.2014.02.004
Publication status	Published - 15 Apr 2014
Externally published	Yes

Keywords

Enantiomeric excess
Near infrared spectroscopy (NIR)
Ibuprofen
Epinephrine
Partial least squares (PLS) regression

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10.1016/j.chemolab.2014.02.004

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title = "Quantification of the enantiomeric excess of two APIs by means of near infrared spectroscopy and chemometrics",

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 ",

keywords = "Enantiomeric excess, Near infrared spectroscopy (NIR), Ibuprofen, Epinephrine, Partial least squares (PLS) regression",

author = "Lorenzo Rigoni and Sara Venti and Marta Bevilacqua and Remo Bucci and Magr{\`i}, {Andrea D.} and Magr{\`i}, {Antonio L.} and Federico Marini",

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doi = "10.1016/j.chemolab.2014.02.004",

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T1 - Quantification of the enantiomeric excess of two APIs by means of near infrared spectroscopy and chemometrics

AU - Rigoni, Lorenzo

AU - Venti, Sara

AU - Bevilacqua, Marta

AU - Bucci, Remo

AU - Magrì, Andrea D.

AU - Magrì, Antonio L.

AU - Marini, Federico

PY - 2014/4/15

Y1 - 2014/4/15

N2 - 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

AB - 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

KW - Enantiomeric excess

KW - Near infrared spectroscopy (NIR)

KW - Ibuprofen

KW - Epinephrine

KW - Partial least squares (PLS) regression

U2 - 10.1016/j.chemolab.2014.02.004

DO - 10.1016/j.chemolab.2014.02.004

M3 - Journal article

SN - 0169-7439

VL - 133

SP - 149

EP - 156

JO - Chemometrics and Intelligent Laboratory Systems

JF - Chemometrics and Intelligent Laboratory Systems

ER -

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

Abstract

Keywords

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