Quantification of Silymarin in Silybi mariani fructus: Challenging the Analytical Performance of Benchtop vs. Handheld NIR Spectrometers on Whole Seeds
| Autor: | Justyna Grabska, Simon Strasser, Hermann Stuppner, Christian G. Kirchler, Sonja Sturm, Florian Meischl, Günther K. Bonn, Stefan Stuppner, Sophia Mayr, Krzysztof B. Beć, Christian W. Huck, Michael Popp |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
Pharmaceutical Science Silibinin 02 engineering and technology 01 natural sciences High-performance liquid chromatography Analytical Chemistry Silybum marianum chemistry.chemical_compound Drug Discovery Partial least squares regression Flavonolignan Calibration Milk Thistle Least-Squares Analysis Pharmacology Chromatography biology Plant Extracts 010401 analytical chemistry Organic Chemistry Extraction (chemistry) Reproducibility of Results 021001 nanoscience & nanotechnology biology.organism_classification 0104 chemical sciences Complementary and alternative medicine chemistry Seeds Molecular Medicine 0210 nano-technology Silymarin |
| Zdroj: | Planta medica. 88(1) |
| ISSN: | 1439-0221 |
| Popis: | The content of the flavonolignan mixture silymarin and its individual components (silichristin, silidianin, silibinin A, silibinin B, isosilibinin A, and isosilibinin B) in whole and milled milk thistle seeds (Silybi mariani fructus) was analyzed with near-infrared spectroscopy. The analytical performance of one benchtop and two handheld near-infrared spectrometers was compared. Reference analysis was performed with HPLC following a Soxhlet extraction (European Pharmacopoeia) and a more resource-efficient ultrasonic extraction. The reliability of near-infrared spectral analysis determined through partial least squares regression models constructed independently for the spectral datasets obtained by the three spectrometers was as follows. The benchtop device NIRFlex N-500 performed the best both for milled and whole seeds with a root mean square error of CV between 0.01 and 0.17%. The handheld spectrometer MicroNIR 2200 as well as the microPHAZIR provided a similar performance (root mean square error of CV between 0.01 and 0.18% and between 0.01 and 0.23%, respectively). We carried out quantum chemical simulation of near-infrared spectra of silichristin, silidianin, silibinin, and isosilibinin for interpretation of the results of spectral analysis. This provided understanding of the absorption regions meaningful for the calibration. Further, it helped to better separate how the chemical and physical properties of the samples affect the analysis. While the study demonstrated that milling of samples slightly improves the performance, it was deemed to be critical only for the analysis carried out with the microPHAZIR. This study evidenced that rapid and nondestructive quantification of silymarin and individual flavonolignans is possible with miniaturized near-infrared spectroscopy in whole milk thistle seeds. |
| Databáze: | OpenAIRE |
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