Application of the analytical quality by design principles to the development of a qualitative surface-enhanced Raman scattering method: A proof of concept
[en] Analytical quality by design (AQbD) is a systematic approach that allows developing analytical methods in a more science-based way, due to the higher quality of information collected during the development process. However, its application remains limited to the development of separation methods. (i.e., liquid chromatography and capillary electrophoresis). Its application to spectroscopic techniques remains underexplored, despite the potential benefits. The aim of this work was to demonstrate the application of the AQbD principles to surface-enhanced Raman scattering (SERS) method development, detailing each step characterizing this approach. First, crystal violet (CV) was chosen as a model compound and the analytical target profile was defined. Risk assessment was performed to individuate the critical method parameters. The intensity of the CV band at 1175 cm−1 was selected as critical method attribute to be modeled and maximized. A screening study was conducted to study 11 aggregation agents (AAs) at different concentration levels (range 0.010–1 M) and in two solvent media (aqueous and methanolic). The two AAs exhibiting the strongest signal, one for each medium, were retained. Once these parameters were fixed, an I-optimal design was applied to optimize the entire analysis process. Here, the volumes of nanoparticle suspension and AA solution added to the SERS samples were simultaneously varied. Two method operable design regions, one for each medium, were computed using a Bayesian design space approach. The latter enabled evaluating the failure risk associated to each experimental condition explored and choosing those that best fit the analytical purpose in the experimental domain.
Research center :
CIRM - Centre Interdisciplinaire de Recherche sur le Médicament - ULiège
Deidda, Riccardo ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
Avohou, Tonakpon Hermane ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
Dumont, Elodie; Université de Liège - ULiège > Département de Pharmacie > Chimie analytique
Hubert, Cédric ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
Hubert, Philippe ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
De Bleye, Charlotte ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
Ziemons, Eric ; Université de Liège - ULiège > Département de pharmacie > Chimie analytique
Language :
English
Title :
Application of the analytical quality by design principles to the development of a qualitative surface-enhanced Raman scattering method: A proof of concept
Publication date :
06 September 2021
Journal title :
Journal of Raman Spectroscopy
ISSN :
0377-0486
eISSN :
1097-4555
Publisher :
John Wiley & Sons, Hoboken, United States - New York
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