Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

Tanioka, Masaru; Ebihana, Tsugumi; Uraguchi, Manae; Shoji, Haruka; Nakamura, Yasuhiko; Ueda, Rina; Ogura, Shota; Wakiya, Yoshifumi; Obata, Tohru; Ida, Takahiro; Horigome, Jun; Kamino, Shinichiro

doi:10.1039/d2ra03534k

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Cited by 2 publications

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Analytical Challenges in the Water Reuse Scenario

Flores Garcia,

Palma,

Sciscenko

et al. 2024

Lecture Notes in Chemistry

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Analytical Challenges in the Water Reuse Scenario

Flores Garcia,

Palma,

Sciscenko

et al. 2024

Lecture Notes in Chemistry

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Use of Fluorescence Spectroscopy and Chemometrics to Visualise Fluoroquinolones Photodegradation Major Trends: A Confirmation Study with Mass Spectrometry

et al. 2023

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In this work, we employed EEM-PARAFAC (fluorescence excitation-emission matrices-parallel factor analysis) as a low-cost tool to study the oxidation pathways of (fluoro)quinolones. Amounts of 12.5 μM of enrofloxacin (ENR), ciprofloxacin (CIP), ofloxacin (OFL), oxolinic acid (OA), and flumequine (FLU), as individual solutions, were irradiated under UVA light. A 5-component PARAFAC model was obtained, four of them related to the parent pollutants, named as ENR-like (including CIP), OFL-like, OA-like, and FLU-like, and an additional one related to photoproducts, called ENRox-like (with an emission red-shift with respect to the ENR-like component). Mass spectrometry was employed to correlate the five PARAFAC components with their plausible molecular structures. Results indicated that photoproducts presenting: (i) hydroxylation or alkyl cleavages exhibited fingerprints analogous to those of the parent pollutants; (ii) defluorination and hydroxylation emitted within the ENRox-like region; iii) the aforementioned changes plus piperazine ring cleavage emitted within the OA-like region. Afterwards, the five antibiotics were mixed in a single solution (each at a concentration of 0.25 μM) in seawater, PARAFAC being also able to deconvolute the fingerprint of humic-like substances. This approach could be a potential game changer in the analysis of (fluorescent) contaminants of emerging concern removals in complex matrices, giving rapid visual insights into the degradation pathways.

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Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

Abstract: Drug quality and assurance changes with time under the influence of a variety of environmental factors, such as light, temperature, and moisture.

Cited by 2 publications

References 23 publications

Analytical Challenges in the Water Reuse Scenario

Analytical Challenges in the Water Reuse Scenario

Use of Fluorescence Spectroscopy and Chemometrics to Visualise Fluoroquinolones Photodegradation Major Trends: A Confirmation Study with Mass Spectrometry

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