Quantification of pharmaceutical compounds in wastewater samples by near infrared spectroscopy (NIR)

Quintelas, C.; Mesquita, D. P.; Ferreira, Eugénio C.; Amaral, A. L.

doi:10.1016/j.talanta.2018.10.076

Cited by 31 publications

(12 citation statements)

References 22 publications

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“…The experiments were performed at room temperature and the agitation was kept constant at 150 rpm. A synthetic medium was fed to the system in the beginning of each experiment accordingly with Quintelas et al (2019). Aqueous samples (1 mL) were taken at designated time intervals (within a 48 h interval) and analysed by ultra-high-performance liquid chromatography (UHPLC).…”

Section: Sample Preparationmentioning

confidence: 99%

“…The quantification of IBU, CRB, E 2 , EE 2 and SMX concentrations was performed accordingly to Quintelas et al (2019). The standard errors for the UHPLC measurements were 0.023 mg L…”

Section: Uhplc Analysismentioning

confidence: 99%

“…The second methodology consisted of the following sequential steps: i) determination of each wavelength weights for the entire wavelength range in an initial PLS analysis; ii) arrangement of the wavelength values according to weight similarity; and iii) final PLS analysis with the averaged wavelength values. Both methodologies are described further in Quintelas et al (2019).…”

Section: Ordinary (Ols) and Partial (Pls) Least Squares Regressionmentioning

confidence: 99%

“…Several parameters can be measured with this technique as alcohols and volatile organic acids (Nespeca et al, 2017), biogas production (Stockl and Lichti, 2018), biochemical oxygen demand, chemical oxygen demand (COD), turbidity, total organic carbon (TOC) and volatile fatty acids (VFA), among others (Mesquita et al, 2017). On the other hand, the quantification of pharmaceuticals, and other emerging pollutants, in wastewaters by FTIR and chemometrics is just starting to have the attention of the scientific community (Quintelas et al, 2019). Indeed, more work is still needed to explore this technique and to improve the developed models.…”

Section: Remarks and Perspectivementioning

confidence: 99%

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Environmentally-friendly technology for rapid identification and quantification of emerging pollutants from wastewater using infrared spectroscopy

Quintelas

Melo

Costa

et al. 2020

Environmental Toxicology and Pharmacology

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The monitoring of emerging pollutants in wastewaters is nowadays an issue of special concern, with the classical quantification methods being time and reagent consuming. In this sense, a FTIR transmission spectroscopy based chemometric methodology was developed for the determination of eight of these pollutants. A total of 456 samples were, therefore, obtained, from an activated sludge wastewater treatment process spiked with the studied pollutants, and analysed in the range of 200 cm −1 to 14,000 cm −1. Then, a k-nearest neighbour (kNN) analysis aiming at identifying each sample pollutant was employed. Next, partial least squares (PLS) and ordinary least squares (OLS) modelling approaches were employed in order to obtain suitable prediction models. This procedure resulted in good prediction abilities regarding the estimation of atrazine, desloratadine, paracetamol, β-estradiol, ibuprofen, carbamazepine, sulfamethoxazole and ethynylestradiol concentrations in wastewaters. These promising results suggest this technology as a fast, eco-friendly and reagent free alternative methodology for the quantification of emerging pollutants in wastewaters.

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Section: Sample Preparationmentioning

confidence: 99%

“…The quantification of IBU, CRB, E 2 , EE 2 and SMX concentrations was performed accordingly to Quintelas et al (2019). The standard errors for the UHPLC measurements were 0.023 mg L…”

Section: Uhplc Analysismentioning

confidence: 99%

Section: Ordinary (Ols) and Partial (Pls) Least Squares Regressionmentioning

confidence: 99%

Section: Remarks and Perspectivementioning

confidence: 99%

See 2 more Smart Citations

Environmentally-friendly technology for rapid identification and quantification of emerging pollutants from wastewater using infrared spectroscopy

Quintelas

Melo

Costa

et al. 2020

Environmental Toxicology and Pharmacology

Self Cite

View full text Add to dashboard Cite

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“…The details of the PLS regression model are described elsewhere. [28][29][30][31] Baseline optimization was adopted to prevent baseline shift of spectra. The software was run on TOSHIBA dynabook R734/W3K Intel core i7-4700 MQ, 2.4 GHz and 8 GB RAM laptop computer.…”

Section: Degassing Cyclic Flow Uv-vis Spectroscopy Dissolution Test Smentioning

confidence: 99%

Bilayer Tablet Dissolution Kinetics Based on a Degassing Cyclic Flow UV-Vis Spectroscopy with Chemometrics

et al. 2019

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Dissolution kinetics of a bilayer direct compress tablet was evaluated by using degassing cyclic flow UV-visible (Vis) spectroscopy with chemometrics. The model bilayer nicotinamide (NA)-pyridoxine hydrochloride (PH) 100.0 mg tablets were prepared via the dual compress method. The fast diffusion layer of the bilayer tablet contained nicotinamide, microcrystal cellulose, beta-lactose, magnesium stearate, and croscarmellose sodium. The slow release layer contained pyridoxine hydrochloride and carnauba wax. The monolayer direct compress tablets were prepared as dual ingredient (API)s formulation tablets. The degassing cyclic flow UV-Vis spectroscopy dissolution test was carried out using the prepared tablets. The dissolution test conditions were as follows: time, 60 min; temperature, 37°C; paddle method, 50 rpm, and UV-Vis spectra measurement 1 time/min. The UV-Vis spectra of the flow solution were measured in the range of 240-380 nm. API concentration was predicted by partial least squares (PLS) regression models based on UV-Vis spectra. The dissolution kinetics of the bilayer and monolayer tablets were evaluated based on the UV-Vis spectra with the predicted API concentration profile. The degassing flow system could prevent air bubbles in the flow cell at 1800 min. Therefore, simultaneous determination of NA and PH concentration based on the PLS regression was suggested to have high accuracy. PLS regression has advantages over the conventional λ max absorbance method of simultaneous determination. We found that the kinetics of the separated bilayer tablet can be evaluated by the same kinetic analysis method used for the single layer model tablet.

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Optical Spectroscopy for on Line Water Monitoring

Testa

Persichetti

Bernini

2022

Instrumentation and Measurement Technologies for Water Cycle Management

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Quantification of pharmaceutical compounds in wastewater samples by near infrared spectroscopy (NIR)

Cited by 31 publications

References 22 publications

Environmentally-friendly technology for rapid identification and quantification of emerging pollutants from wastewater using infrared spectroscopy

Environmentally-friendly technology for rapid identification and quantification of emerging pollutants from wastewater using infrared spectroscopy

Bilayer Tablet Dissolution Kinetics Based on a Degassing Cyclic Flow UV-Vis Spectroscopy with Chemometrics

Optical Spectroscopy for on Line Water Monitoring

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