10.3389/fmicb.2018.02115.s001
Min Lv
Min
Lv
Ching Lo
Ching
Lo
Cheng-Chih Hsu
Cheng-Chih
Hsu
Yuwen Wang
Yuwen
Wang
Yin-Ru Chiang
Yin-Ru
Chiang
Qian Sun
Qian
Sun
Yang Wu
Yang
Wu
Yan Li
Yan
Li
Lingxin Chen
Lingxin
Chen
Chang-Ping Yu
Chang-Ping
Yu
Table_1_Identification of Enantiomeric Byproducts During Microalgae-Mediated Transformation of Metoprolol by MS/MS Spectrum Based Networking.DOCX
Frontiers
2018
metoprolol (MPL)
microalgae
enantioselective biodegradation
transformation products
biodegradation pathway
MS/MS spectral similarity networking
2018-09-07 04:14:43
Dataset
https://frontiersin.figshare.com/articles/dataset/Table_1_Identification_of_Enantiomeric_Byproducts_During_Microalgae-Mediated_Transformation_of_Metoprolol_by_MS_MS_Spectrum_Based_Networking_DOCX/7057256
<p>Metoprolol (MPL) is a chiral β-blocker ubiquitously detected in various environments due to its low to moderate removal in wastewater treatment plants. This study was conducted to test the potential of using microalgae to degrade emerging contaminant MPL and to characterize the enantiomeric enrichment during MPL degradation by microalgae. The results showed that PO<sub>4</sub><sup>3−</sup>- P, NO<sub>3</sub><sup>−</sup>- N and MPL could be simultaneously removed in the synthetic effluent by the targeted microalgae species, indicating microalgae were promising in wastewater treatment. Stereoselectivity was observed during MPL degradation by microalgae, with R-form enrichment. A marginal linear relationship between MPL degradation and enantiomeric enrichment was observed, implying that the enantiomeric tool, used as a quantitative indicator of biodegradation, could possibly be applied in MPL degradation by microalgae. An efficient liquid chromatograph tandem high resolution mass spectrometry (LC-HRMS/MS) chiral analytical method was developed to identify transformation products (TPs). The results showed that MS/MS spectral similarity networking could be used as a powerful tool to quickly identify unknown TPs. A total of 6 pairs of chiral TPs were identified, among which two new TPs of MPL including hydroxy{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetic acid (α-HMPLA) and 4-[2-Hydroxy-3-(isopropylamino)propoxy]benzaldehyde (DMPLD) were firstly reported, and proposed transformation pathways of MPL by microalgae were given. Considering the paired TPs detected and that the degradation of the two enantiomers followed first order kinetics, the two enantiomers likely had the same degradation mechanism.</p>