Spectrometer calibration protocol for Raman spectra recorded with different excitation wavelengths

Title data

Bocklitz, Thomas ; Dörfer, T. ; Heinke, R. ; Schmitt, M. ; Popp, J.:
Spectrometer calibration protocol for Raman spectra recorded with different excitation wavelengths.
In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Vol. 149 (2015) . - pp. 544-549.
ISSN 1873-3557
DOI: https://doi.org/10.1016/j.saa.2015.04.079

Official URL:

Abstract in another language

The combination of Raman spectroscopy with chemometrics has gained significant importance within the last years to address a broad variety of biomedical and life science questions. However, the routine application of chemometric models to analyze Raman spectra recorded with Raman devices different from the device used to establish the model is extremely challenging due to Raman device specific influences on the recorded Raman spectra. Here we report on the influence of different non-resonant excitation wavelengths on Raman spectra and propose a calibration routine, which corrects for the main part of the spectral differences between Raman spectra recorded with different (non-resonant) excitation wavelengths. The calibration routine introduced within this contribution is an improvement to the known ‘standard’ calibration routines and is a starting point for the development of a calibration protocol to generate spectrometer independent Raman spectra. The presented routine ensures that a chemometric model utilizes only Raman information of the sample and not artifacts from small shifts in the excitation wavelength. This is crucial for the application of Raman-spectroscopy in real-world-settings, such as diagnostics of diseases or identification of bacteria.

Further data

Item Type:	Article in a journal
Refereed:	Yes
Keywords:	Raman spectroscopy; Spectrometer calibration; Chemometric analysis
Institutions of the University:	Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Computer Science > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie - Univ.-Prof. Dr. Thomas Wilhelm Bocklitz
Result of work at the UBT:	No
DDC Subjects:	500 Science > 530 Physics
Date Deposited:	22 May 2023 09:16
Last Modified:	22 May 2023 09:16
URI:	https://eref.uni-bayreuth.de/id/eprint/76282