Comprehensive MS-based screening and identification of pharmaceutical transformation products formed during enzymatic conversion

Stadlmair, Lara F.; Grosse, Sylvia; Letzel, Thomas; Drewes, Jörg E.; Graßmann, Johanna

doi:10.1007/s00216-018-1442-7

Cited by 10 publications

(2 citation statements)

References 41 publications

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“…The most likely candidate was N-[4-(2-hydroxyacetyl)phenyl]methanesulfonamide (CAS 287944-24-5, C9H11NO4S, monoisotopic mass: 229.0409 Da), a TP suspect of the beta blocker sotalol predicted via the Eawag pathway prediction system (rule bt0063: secondary amine to amine and aldehyde, Sot-disnCHO) and detected in negative and positive ESI mode. A structurally similar TP of sotalol (N-(4-formylphenyl) methanesulfonamide) has been found in a former but not in the present study (Stadlmair et al, 2019). In conclusion, several potential TPs followed pattern 2, however, many were lacking structural evidence, as e.g.…”

Section: Screening For Further Transformation Productssupporting

confidence: 83%

Passive sampling of organic contaminants across the water-sediment interface of an urban stream

2019

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Section: Screening For Further Transformation Productssupporting

confidence: 83%

Passive sampling of organic contaminants across the water-sediment interface of an urban stream

2019

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“…The HPLC systems, the ESI interface and the mass spectrometric detector were controlled and data were acquired and processed by MassHunter software (Agilent Technologies, Waldbronn, Germany) using the extraction ion chromatogram (EIC) technique within a maximum mass tolerance of 10 ppm. The accurate mass data of the TPs were processed as previously described by Stadlmair et al [44].…”

Section: Discussionmentioning

confidence: 99%

Fate of Diclofenac and Its Transformation and Inorganic By-Products in Different Water Matrices during Electrochemical Advanced Oxidation Process Using a Boron-Doped Diamond Electrode

Heim

Rajab

Greco

et al. 2020

Water

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The focus of this study was to investigate the efficacy of applying boron-doped diamond (BDD) electrodes in an electrochemical advanced oxidation process, for the removal of the target compound diclofenac (DCF) in different water matrices. The reduction of DCF, and at the same time the formation of transformation products (TPs) and inorganic by-products, was investigated as a function of electrode settings and the duration of treatment. Kinetic assessments of DCF and possible TPs derived from data from the literature were performed, based on a serial chromatographic separation with reversed-phase liquid chromatographyfollowed by hydophilic interaction liquid chromatography (RPLC-HILIC system) coupled to ESI-TOF mass spectrometry. The application of the BDD electrode resulted in the complete removal of DCF in deionized water, drinking water and wastewater effluents spiked with DCF. As a function of the applied current density, a variety of TPs appeared, including early stage products, structures after ring opening and highly oxidized small molecules. Both the complexity of the water matrix and the electrode settings had a noticeable influence on the treatment process’s efficacy. In order to achieve effective removal of the target compound under economic conditions, and at the same time minimize by-product formation, it is recommended to operate the electrode at a moderate current density and reduce the extent of the treatment.

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Nanostructured coumarin-based cobalt complex as an efficient, heterogeneous and recyclable catalyst for the three-component synthesis of benzo[b]pyran and 3,4-dihydropyrano[c]chromene derivatives

et al. 2021

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Comprehensive MS-based screening and identification of pharmaceutical transformation products formed during enzymatic conversion

Cited by 10 publications

References 41 publications

Passive sampling of organic contaminants across the water-sediment interface of an urban stream

Passive sampling of organic contaminants across the water-sediment interface of an urban stream

Fate of Diclofenac and Its Transformation and Inorganic By-Products in Different Water Matrices during Electrochemical Advanced Oxidation Process Using a Boron-Doped Diamond Electrode

Nanostructured coumarin-based cobalt complex as an efficient, heterogeneous and recyclable catalyst for the three-component synthesis of benzo[b]pyran and 3,4-dihydropyrano[c]chromene derivatives

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