Orthogonal signal correction assisted PLS analysis of EEMF spectroscopic data sets: fluorimetric analysis of polycyclic
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Orthogonal signal correction assisted PLS analysis of EEMF spectroscopic data sets: fluorimetric analysis of polycyclic aromatic hydrocarbon mixtures Keshav Kumar1 Received: 9 February 2020 / Accepted: 31 March 2020 / Published online: 6 April 2020 © Springer Nature Switzerland AG 2020
Abstract Excitation-emission matrix fluorescence (EEMF) spectroscopy was combined with orthogonal signal correction (OSC) assisted partial least square (PLS) analysis to achieve simultaneous quantification of aqueous mixtures of carcinogenic and mutagenic polycyclic aromatic hydrocarbons (PAHs). The application of OSC algorithm on EEMF data sets prior to PLS analysis was found to significantly improve the performance of calibration model towards the PAHs quantification. Keywords Excitation-emission matrix fluorescence · Partial least square · Orthogonal signal correction · Polycyclic aromatic hydrocarbons
1 Introduction The careless handling of the petroleum products are mainly responsible for the presence of polycyclic aromatic hydrocarbons (PAHs) in water samples [1–5]. PAHs are carcinogenic and mutagenic in nature and their regular monitoring in water samples is an important task to avoid serious health concern [1–5]. Gas or liquid phase chromatography coupled with either mass spectrometry or UV–Visible spectrophotometers are the commonly used techniques for the quantification of PAHs in water samples [6–9]. The chromatographic analysis are costly and involve laborious sample preparation steps. As a result, the chromatographic techniques less preferred especially in the developing countries where PAHs monitoring needs to be carried out on routine basis. PAHs have the rigid molecular framework making them highly fluorescent in nature [5, 10–15]. Thus, fluorescence a simple and sensitive technique could be a method of choice for the routine analysis of PAHs in water samples. Excitation-emission matrix fluorescence (EEMF) is multiparametric fluorescence techniques that simultaneously
capture the fluorescence activity of all the fluorescent molecules in a single plot [10, 16–19]. EEMF spectrum of a fluorescent molecule depicts the variation of fluorescence intensity as the excitation (λex) and emission (λem) wavelengths are varied. The modern fluorimeters allows the acquisition of EEMF data in a fast and automatic manner over the user specified parameters. The modern fluorimeters are also equipped with appropriate software that enables auto-removal of Rayleigh scattering signals (1st and 2nd order) at the data acquisition level. The fluorescence intensity for a mixture of fluorescent components in EEMF spectroscopy corresponds to the summation of individual fluorescence intensities of each components weighted by their corresponding concentrations [10, 16–19]. EEMF data sets can be analyzed to develop a calibration model provided one could correlate the intensity of the fluorescent components of the mixture with their corresponding concentrations. Partial least square (PLS) analysis [20–23] is one of the most commonly used techniqu
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