Chemometrics and statistical analysis in raman spectroscopy-based biological investigations
Dissertation, Friedrich-Schiller-Universität Jena, 2018
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| Sprache: | eng |
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Jena
2018
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Tag hinzufügen | Zusammenfassung: | Dissertation, Friedrich-Schiller-Universität Jena, 2018 As mentioned in the chapter 1, chemometrics has become an essential tool in Raman spectroscopy-based biological investigations and significantly enhanced the sensitivity of Raman spectroscopy-based detection. However, there are some open issues on applying chemometrics in Raman spectroscopy-based biological investigations. An automatic proce- dure is needed to optimize the parameters of the mathematical baseline correction. Spectral reconstruction algorithm is required to recover a fluorescence-free Raman spectrum from the two Raman spectra measured with different excitation wavelengths for the shifted-excitation Raman difference spectroscopy (SERDS) technique. Guidelines are necessary for reliable model optimization and rigorous model evaluation to ensure high accuracy and robustness in Raman spectroscopy-based biological detection. Computational methods are required to enable a trained model to successfully predict new data that is significantly different from the training data due to inter-replicate variations. These tasks were tackled in this thesis. The related investigations were related to three main topics: baseline correction, statistical modeling, and model transfer. |
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| Beschreibung: | Kumulative Dissertation, enthält Beiträge aus verschiedenen Zeitschriften |
| Beschreibung: | v, 172 Seiten Illustrationen, Diagramme 29,5 cm |