Identification of therapeutic allergen products using their Raman spectral fingerprint

IF 3.7 2区化学 Q2 AUTOMATION & CONTROL SYSTEMS

Chemometrics and Intelligent Laboratory Systems Pub Date : 2025-02-14 DOI:10.1016/j.chemolab.2025.105340

Christian Ickes , Pirya Rani , Kristiyana Tsenova , Johanna Echternach , Frank Führer , Detlef Bartel , Christel Kamp

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引用次数: 0

Abstract

Raman spectroscopy is a widely used technique for the identification of chemical substances and in the quality control of pharmaceutical products. Inelastic scattering of laser light generates unique fingerprints of chemical substances which allows for identification of products and quantification of active components. Using this non-destructive technique for biomedicines like vaccines or therapeutic allergen products introduces new challenges in terms of experimental setup, spectral processing, and their standardization. We explore experimental setups and use machine learning techniques to evaluate the potential of Raman spectroscopy to distinguish between therapeutic allergen products from different manufacturers with closely related bee and wasp venoms as Active Pharmaceutical Ingredients (APIs). A comparison of various models shows that a differentiation of products is possible based on their Raman spectra at accuracies above 95%. A deeper analysis allows to identify key regions in the spectra for differentiation. These can guide further research towards the identification and quantification of biochemical compounds of interest. In conclusion, this proof-of-concept study shows the applicability of Raman spectroscopy in the quality assurance of biomedicines and suggests directions for further in-depth analyses.

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来源期刊

Chemometrics and Intelligent Laboratory Systems 工程技术-分析化学

CiteScore

7.50

自引率

7.70%

发文量

169

审稿时长

3.4 months

期刊介绍： Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.