Comparison of chemometric methods for assessing blending end-point by using NIR and Raman spectroscopy

Rubén Cueva-Mestanza; Celia Vargas-De-La-Cruz; Jesús Benites-Mena; Sixto Gonzalez-Elera; Faraat Ali

doi:10.36295/ASRO.2020.231043

Comparison of chemometric methods for assessing blending end-point by using NIR and Raman spectroscopy

Rubén Cueva-Mestanza, Celia Vargas-De-La-Cruz, Jesús Benites-Mena, Sixto Gonzalez-Elera, Faraat Ali

Research output: Contribution to journal › Article › peer-review

Abstract

Blending is a critical stage in manufacturing. Therefore, a correct determination of final mixing point is necessary. In this work, vibration spectroscopic techniques, near infrared spectroscopy (NIR) and Raman spectroscopy are compared. This study has been carried out by means of a non-invasive monitoring of a blending process of a pharmaceutical blending. Difference between the Moving Block Average and Target spectrum (DMBA-TS) and Score Distance Analysis on the Main Component (PC-SDA), applying the latter in the NIR and Raman data. Different results were obtained with DMBA-ST and similar ones with PC-SDA, so although it is possible to follow the mixing by both NIR and Raman, it is necessary to take into account the method that is applied with each technique, since the characteristics of the spectra can affect the results obtained by the methods used to determine the final point of blending.

Original language	English
Journal	Annals of Tropical Medicine and Public Health
Volume	23
Issue number	10
DOIs	https://doi.org/10.36295/ASRO.2020.231043
State	Published - Jun 2020
Externally published	Yes

Bibliographical note

Funding Information:
The authors are grateful to the Spain's MCyT for funding this research within the framework of Project CTQ2009-08312. RCM wishes to acknowledge additional support from Universitat Autònoma de Barcelona in the form of a scholarship.R. Cueva-Mestanza is also grateful to the Quality & Technology Group of the University of Copenhagen, Denmark, for their help and support, as well as to Dr. José Manuel Amigo for experimental advice and Dr. Frans W.J. van der Berg for his help to prepare the equipment used to blend.

Funding Information:
The authors are grateful to the Spain's MCyT for funding this research within the framework of Project CTQ2009-08312. RCM wishes to acknowledge additional support from Universitat Aut?noma de Barcelona in the form of a scholarship. R. Cueva-Mestanza is also grateful to the Quality & Technology Group of the University of Copenhagen, Denmark, for their help and support, as well as to Dr. Jos? Manuel Amigo for experimental advice and Dr. Frans W.J. van der Berg for his help to prepare the equipment used to blend.

Keywords

Blending end-point
End-point determination
NIR spectroscopy
No-invasive monitoring
Raman spectroscopy

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.36295/ASRO.2020.231043

Cite this

@article{c494f27e65534d2094b4501c6249ccc3,

title = "Comparison of chemometric methods for assessing blending end-point by using NIR and Raman spectroscopy",

abstract = "Blending is a critical stage in manufacturing. Therefore, a correct determination of final mixing point is necessary. In this work, vibration spectroscopic techniques, near infrared spectroscopy (NIR) and Raman spectroscopy are compared. This study has been carried out by means of a non-invasive monitoring of a blending process of a pharmaceutical blending. Difference between the Moving Block Average and Target spectrum (DMBA-TS) and Score Distance Analysis on the Main Component (PC-SDA), applying the latter in the NIR and Raman data. Different results were obtained with DMBA-ST and similar ones with PC-SDA, so although it is possible to follow the mixing by both NIR and Raman, it is necessary to take into account the method that is applied with each technique, since the characteristics of the spectra can affect the results obtained by the methods used to determine the final point of blending.",

keywords = "Blending end-point, End-point determination, NIR spectroscopy, No-invasive monitoring, Raman spectroscopy",

author = "Rub{\'e}n Cueva-Mestanza and Celia Vargas-De-La-Cruz and Jes{\'u}s Benites-Mena and Sixto Gonzalez-Elera and Faraat Ali",

year = "2020",

month = jun,

doi = "10.36295/ASRO.2020.231043",

language = "Ingl{\'e}s",

volume = "23",

journal = "Annals of Tropical Medicine and Public Health",

issn = "1755-6783",

publisher = "Wolters Kluwer Medknow Publications",

number = "10",

}

TY - JOUR

T1 - Comparison of chemometric methods for assessing blending end-point by using NIR and Raman spectroscopy

AU - Cueva-Mestanza, Rubén

AU - Vargas-De-La-Cruz, Celia

AU - Benites-Mena, Jesús

AU - Gonzalez-Elera, Sixto

AU - Ali, Faraat

PY - 2020/6

Y1 - 2020/6

N2 - Blending is a critical stage in manufacturing. Therefore, a correct determination of final mixing point is necessary. In this work, vibration spectroscopic techniques, near infrared spectroscopy (NIR) and Raman spectroscopy are compared. This study has been carried out by means of a non-invasive monitoring of a blending process of a pharmaceutical blending. Difference between the Moving Block Average and Target spectrum (DMBA-TS) and Score Distance Analysis on the Main Component (PC-SDA), applying the latter in the NIR and Raman data. Different results were obtained with DMBA-ST and similar ones with PC-SDA, so although it is possible to follow the mixing by both NIR and Raman, it is necessary to take into account the method that is applied with each technique, since the characteristics of the spectra can affect the results obtained by the methods used to determine the final point of blending.

AB - Blending is a critical stage in manufacturing. Therefore, a correct determination of final mixing point is necessary. In this work, vibration spectroscopic techniques, near infrared spectroscopy (NIR) and Raman spectroscopy are compared. This study has been carried out by means of a non-invasive monitoring of a blending process of a pharmaceutical blending. Difference between the Moving Block Average and Target spectrum (DMBA-TS) and Score Distance Analysis on the Main Component (PC-SDA), applying the latter in the NIR and Raman data. Different results were obtained with DMBA-ST and similar ones with PC-SDA, so although it is possible to follow the mixing by both NIR and Raman, it is necessary to take into account the method that is applied with each technique, since the characteristics of the spectra can affect the results obtained by the methods used to determine the final point of blending.

KW - Blending end-point

KW - End-point determination

KW - NIR spectroscopy

KW - No-invasive monitoring

KW - Raman spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=85092367357&partnerID=8YFLogxK

U2 - 10.36295/ASRO.2020.231043

DO - 10.36295/ASRO.2020.231043

M3 - Artículo

AN - SCOPUS:85092367357

SN - 1755-6783

VL - 23

JO - Annals of Tropical Medicine and Public Health

JF - Annals of Tropical Medicine and Public Health

IS - 10

ER -

Comparison of chemometric methods for assessing blending end-point by using NIR and Raman spectroscopy

Abstract

Bibliographical note

Keywords

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this