University of Oulu

M. Alaoui Mansouri, M. Kharbach, M. El Maouardi, I. Barra, A. Bouklouze, Quantification of ciprofloxacin in pharmaceutical products from various brands using FT-NIR: A comparative investigation of PLS and MCR-ALS, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 303, 2023, 123268, ISSN 1386-1425,

Quantification of ciprofloxacin in pharmaceutical products from various brands using FT-NIR : a comparative investigation of PLS and MCR-ALS

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Author: Alaoui Mansouri, M.1,2,3; Kharbach, M.2,4; El Maouardi, M.2;
Organizations: 1Nano and Molecular Systems Research Unit, University of Oulu, FI-90014 Oulu, Finland
2Bio-Pharmaceutical and Toxicological Analysis Research Team, Laboratory of Pharmacology and Toxicology, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, Morocco
3University of Liege (ULiege), CIRM, Vibra-Santé HUB, Laboratory of Pharmaceutical Analytical Chemistry, CHU, B36, B-4000, Liege, Belgium
4Research Unit of Mathematical Sciences, University of Oulu, FI-90014 Oulu, Finland
5Center of Excellence in Soil and Fertilizer Research in Africa, Mohammed VI Polytechnic University, Benguerir, Morocco
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 2.4 MB)
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Language: English
Published: Elsevier, 2023
Publish Date: 2023-11-03


This study aims to quantify ciprofloxacin in commercial tablets with varying excipient compositions using Fourier Transform Near-Infrared Spectroscopy (FT-NIR) and chemometric models: Partial Least Squares (PLS) and Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS).

Matrix variation, arising from differences in excipient compositions among the tablets, can impact quantification accuracy. We discuss this phenomenon, emphasizing potential issues introduced by varying certain excipients and its importance in reliable ciprofloxacin quantification.

We evaluated the performance of PLS and MCR-ALS models independently on two sets of tablets, each containing the same drug substance but different excipients. The statistical results revealed promising results with PLS prediction error of 0.38% w/w of the first set and 0.47% w/w of the second set, while MCR-ALS achieved prediction errors of 0.67% w/w of the first set and 1.76% w/w of the second set.

To address the challenge of matrix variation, we developed single models for PLS and MCR-ALS using a dataset combining both first and second sets. The PLS single model demonstrated a prediction error of 4.3% w/w and a relative error of 6.41% w/w, while the MCR-ALS single model showed a prediction error of 1.88% w/w and a relative error of 1.29% w/w.

We then assessed the performance of the single PLS and MCR-ALS models developed based on the combination of the first and the second set in quantifying ciprofloxacin in various commercial tablet brands containing new excipients. The PLS model achieved a prediction error ranging between 6.2% w/w and 8.39% w/w, with relative errors varied between 8.53% w/w and 12.82% w/w. On the other hand, the MCR-ALS model had a prediction error between 1.11% w/w and 2.66% w/w, and the relative errors ranging from 0.8% to 1.74% w/w.

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Series: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1386-1425
ISSN-E: 1873-3557
ISSN-L: 1386-1425
Volume: 303
Article number: 123268
DOI: 10.1016/j.saa.2023.123268
Type of Publication: A1 Journal article – refereed
Field of Science: 317 Pharmacy
116 Chemical sciences
Copyright information: © 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (