Metoprolol and Its Degradation and Transformation Products Using AOPs—Assessment of Aquatic Ecotoxicity Using QSAR

Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to UV irradiation, hydrogen peroxide, and ozonation....

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Published inMolecules (Basel, Switzerland) Vol. 26; no. 11; p. 3102
Main Authors Voigt, Melanie, Bartels, Indra, Schmiemann, Dorothee, Votel, Lars, Hoffmann-Jacobsen, Kerstin, Jaeger, Martin
Format Journal Article
LanguageEnglish
Published Switzerland MDPI AG 22.05.2021
MDPI
Subjects
Algae
Algorithms
AOPs
Artificial intelligence
Bioreactors
Chromatography, High Pressure Liquid
ecotoxicity
Ecotoxicology - methods
Environmental Monitoring - methods
Experiments
HPLC-HRMS
Hydrogen peroxide
Hydrogen Peroxide - chemistry
Hydrogen-Ion Concentration
Kinetics
Membrane reactors
Metoprolol
Metoprolol - analysis
Metoprolol - chemistry
Oxygen - chemistry
Ozone - chemistry
Photochemistry
Photodegradation
Photolysis
QSAR
Quantitative Structure-Activity Relationship
Radiation
Sewage - chemistry
Software
Ultraviolet Rays
Wastewater - chemistry
Water Pollutants, Chemical - analysis
Water Pollutants, Chemical - chemistry
Germany
HPLC-HRMS
Metoprolol
QSAR
ecotoxicity
AOPs
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Abstract Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to UV irradiation, hydrogen peroxide, and ozonation. Degradation was analyzed using chemical kinetics both for initial and secondary products. Photo-induced irradiation enhanced by hydrogen peroxide addition accelerated degradation more than ozonation, leading to complete elimination. Degradation and transformation products were identified by high-performance liquid-chromatography coupled to high-resolution higher-order mass spectrometry. The proposed structures allowed to apply Quantitative Structure-Activity Relationship (QSAR) analysis to predict ecotoxicity. Degradation products were generally associated with a lower ecotoxicological hazard to the aquatic environment according to OECD QSAR toolbox and VEGA. Comparison of potential structural isomers suggested forecasts may become more reliable with larger databases in the future.
AbstractList Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to UV irradiation, hydrogen peroxide, and ozonation. Degradation was analyzed using chemical kinetics both for initial and secondary products. Photo-induced irradiation enhanced by hydrogen peroxide addition accelerated degradation more than ozonation, leading to complete elimination. Degradation and transformation products were identified by high-performance liquid-chromatography coupled to high-resolution higher-order mass spectrometry. The proposed structures allowed to apply Quantitative Structure-Activity Relationship (QSAR) analysis to predict ecotoxicity. Degradation products were generally associated with a lower ecotoxicological hazard to the aquatic environment according to OECD QSAR toolbox and VEGA. Comparison of potential structural isomers suggested forecasts may become more reliable with larger databases in the future.Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to UV irradiation, hydrogen peroxide, and ozonation. Degradation was analyzed using chemical kinetics both for initial and secondary products. Photo-induced irradiation enhanced by hydrogen peroxide addition accelerated degradation more than ozonation, leading to complete elimination. Degradation and transformation products were identified by high-performance liquid-chromatography coupled to high-resolution higher-order mass spectrometry. The proposed structures allowed to apply Quantitative Structure-Activity Relationship (QSAR) analysis to predict ecotoxicity. Degradation products were generally associated with a lower ecotoxicological hazard to the aquatic environment according to OECD QSAR toolbox and VEGA. Comparison of potential structural isomers suggested forecasts may become more reliable with larger databases in the future.
Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to UV irradiation, hydrogen peroxide, and ozonation. Degradation was analyzed using chemical kinetics both for initial and secondary products. Photo-induced irradiation enhanced by hydrogen peroxide addition accelerated degradation more than ozonation, leading to complete elimination. Degradation and transformation products were identified by high-performance liquid-chromatography coupled to high-resolution higher-order mass spectrometry. The proposed structures allowed to apply Quantitative Structure-Activity Relationship (QSAR) analysis to predict ecotoxicity. Degradation products were generally associated with a lower ecotoxicological hazard to the aquatic environment according to OECD QSAR toolbox and VEGA. Comparison of potential structural isomers suggested forecasts may become more reliable with larger databases in the future.
Author Bartels, Indra
Hoffmann-Jacobsen, Kerstin
Votel, Lars
Jaeger, Martin
Voigt, Melanie
Schmiemann, Dorothee
AuthorAffiliation 2 Faculty of Chemistry, University Duisburg-Essen, Universitätsstraße 2, D-45141 Essen, Germany
1 Department of Chemistry and ILOC, Niederrhein University of Applied Sciences, Adlerstraße 32, D-47798 Krefeld, Germany; Melanie.voigt@hs-niederrhein.de (M.V.); indra.bartels@stud.uni-due.de (I.B.); Dorothee.schmiemann@hs-niederrhein.de (D.S.); lars.votel@hotmail.de (L.V.); kerstin.hoffmann-jacobsen@hs-niederrhein.de (K.H.-J.)
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Cites_doi 10.1016/j.scitotenv.2020.142902
10.1080/1062936X.2015.1136680
10.1016/j.chemosphere.2019.125325
10.1016/j.jhazmat.2018.11.055
10.1016/j.cattod.2014.03.060
10.1351/pac200476122105
10.1897/09-073.1
10.1007/s40726-015-0015-z
10.3791/57434-v
10.1016/j.scitotenv.2014.06.039
10.1016/j.seppur.2014.12.025
10.1016/j.watres.2013.09.039
10.3934/environsci.2020005
10.1021/j100166a039
10.1007/s11356-012-1223-3
10.1016/j.chroma.2014.03.081
10.1039/C5RA10523D
10.1002/9783527610884
10.1002/bmc.1721
10.1016/j.jhazmat.2016.05.072
10.1016/S0169-7439(01)00155-1
10.1016/j.chemosphere.2009.03.022
10.3934/environsci.2018.5.372
10.1016/j.jhazmat.2011.10.017
10.1016/j.watres.2011.03.040
10.1016/j.scitotenv.2014.06.023
10.1002/qsar.19930120402
10.1039/D0RA01273D
10.3390/ijerph18010077
10.1016/j.jhazmat.2009.10.100
10.1021/es900280e
10.1016/j.apcatb.2016.04.054
10.1016/j.chemosphere.2011.06.082
10.1016/j.cej.2020.126482
10.1016/j.scitotenv.2020.141634
10.1016/j.jphotochem.2015.02.014
10.1021/jp9505800
10.3390/cleantechnol2010006
10.1080/02772248.2019.1687706
10.1016/j.cej.2015.07.091
10.1016/j.scitotenv.2017.04.102
10.1016/j.cattod.2010.09.026
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Keywords HPLC-HRMS
Metoprolol
QSAR
ecotoxicity
AOPs
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References Buttiglieri (ref_40) 2021; 404
Romero (ref_37) 2016; 283
ref_12
ref_11
Santos (ref_3) 2010; 175
ref_10
Sun (ref_24) 1996; 100
Voigt (ref_29) 2018; 5
Radjenovic (ref_46) 2011; 45
Tay (ref_48) 2013; 20
ref_19
ref_18
ref_15
Gao (ref_44) 2020; 10
Romero (ref_36) 2015; 240
Yu (ref_39) 2015; 142
Kuhn (ref_21) 2004; 76
Benner (ref_47) 2009; 43
ref_28
Faber (ref_45) 2014; 1343
Veith (ref_17) 1993; 12
Vasquez (ref_13) 2011; 85
Neves (ref_34) 2019; 370
Wold (ref_16) 2001; 58
Gao (ref_32) 2020; 243
Voigt (ref_7) 2020; 7
Voigt (ref_25) 2020; 2
Tasbihi (ref_35) 2015; 305
Vione (ref_41) 2015; 5
Voigt (ref_27) 2019; 101
Deng (ref_9) 2015; 1
Borkar (ref_42) 2012; 26
Fick (ref_5) 2009; 28
Maszkowska (ref_6) 2014; 493
Romero (ref_43) 2011; 161
Kler (ref_30) 2011; 198
Cavalcante (ref_31) 2016; 194
Dimitrov (ref_20) 2016; 27
Yang (ref_8) 2017; 596–597
Heger (ref_50) 2021; 764
Vasconcelos (ref_14) 2009; 76
Arany (ref_38) 2012; 472–473
Filipe (ref_33) 2017; 323
ref_1
Wilde (ref_49) 2014; 48
ref_2
Hatchard (ref_22) 1956; 235
Kochany (ref_23) 1991; 95
Voigt (ref_26) 2021; 751
Maszkowska (ref_4) 2014; 493
References_xml – volume: 764
  start-page: 142902
  year: 2021
  ident: ref_50
  article-title: Green toxicological investigation for biofuel candidates
  publication-title: Sci. Total Environ.
  doi: 10.1016/j.scitotenv.2020.142902
– volume: 27
  start-page: 203
  year: 2016
  ident: ref_20
  article-title: QSAR Toolbox–workflow and major functionalities
  publication-title: SAR QSAR Environ. Res.
  doi: 10.1080/1062936X.2015.1136680
– volume: 243
  start-page: 125325
  year: 2020
  ident: ref_32
  article-title: Comparative evaluation of metoprolol degradation by UV/chlorine and UV/H2O2 processes
  publication-title: Chemosphere
  doi: 10.1016/j.chemosphere.2019.125325
– volume: 370
  start-page: 13
  year: 2019
  ident: ref_34
  article-title: Photodegradation of metoprolol using a porphyrin as photosensitizer under homogeneous and heterogeneous conditions
  publication-title: J. Hazard. Mater.
  doi: 10.1016/j.jhazmat.2018.11.055
– volume: 240
  start-page: 86
  year: 2015
  ident: ref_36
  article-title: Performance of different advanced oxidation technologies for the abatement of the beta-blocker metoprolol
  publication-title: Catal. Today
  doi: 10.1016/j.cattod.2014.03.060
– volume: 76
  start-page: 2105
  year: 2004
  ident: ref_21
  article-title: Chemical Actinometry. (IUPAC technical report)
  publication-title: Pure Appl. Chem.
  doi: 10.1351/pac200476122105
– volume: 28
  start-page: 2522
  year: 2009
  ident: ref_5
  article-title: Pharmaceuticals and Personal Care Products in the Environment Contamination of Surface, Ground, and Drinking Water from Pharmaceutical Production
  publication-title: Environ. Toxicol. Chem.
  doi: 10.1897/09-073.1
– ident: ref_1
– volume: 1
  start-page: 167
  year: 2015
  ident: ref_9
  article-title: Advanced Oxidation Processes (AOPs) in Wastewater Treatment
  publication-title: Curr. Pollut. Rep.
  doi: 10.1007/s40726-015-0015-z
– ident: ref_28
  doi: 10.3791/57434-v
– volume: 493
  start-page: 1122
  year: 2014
  ident: ref_4
  article-title: Beta-blockers in the environment: Part II. Ecotoxicity study
  publication-title: Sci. Total Environ.
  doi: 10.1016/j.scitotenv.2014.06.039
– volume: 142
  start-page: 1
  year: 2015
  ident: ref_39
  article-title: Enhanced visible light photocatalytic degradation of metoprolol by Ag-Bi2WO6-graphene composite
  publication-title: Sep. Purif. Technol.
  doi: 10.1016/j.seppur.2014.12.025
– volume: 48
  start-page: 280
  year: 2014
  ident: ref_49
  article-title: Degradation of β-blockers in hospital wastewater by means of ozonation and Fe2+/ozonation
  publication-title: Water Res.
  doi: 10.1016/j.watres.2013.09.039
– volume: 7
  start-page: 69
  year: 2020
  ident: ref_7
  article-title: Prior art for the development of a fourth purification stage in wastewater treatment plant for the elimination of anthropogenic micropollutants-a short-review
  publication-title: AIMS Environ. Sci.
  doi: 10.3934/environsci.2020005
– volume: 95
  start-page: 5116
  year: 1991
  ident: ref_23
  article-title: of aqueous organic pollutants. 1. EPR spin-trapping technique for the determination of hydroxyl radical rate constants in the photooxidation of chlorophenols following
  publication-title: J. Phys. Chem.
  doi: 10.1021/j100166a039
– ident: ref_10
– volume: 20
  start-page: 3115
  year: 2013
  ident: ref_48
  article-title: Ozonation of metoprolol in aqueous solution: Ozonation by-products and mechanisms of degradation
  publication-title: Environ. Sci. Pollut. Res.
  doi: 10.1007/s11356-012-1223-3
– volume: 1343
  start-page: 152
  year: 2014
  ident: ref_45
  article-title: Liquid chromatography/mass spectrometry to study oxidative degradation of environmentally relevant pharmaceuticals by electrochemistry and ozonation
  publication-title: J. Chromatogr. A
  doi: 10.1016/j.chroma.2014.03.081
– volume: 5
  start-page: 54589
  year: 2015
  ident: ref_41
  article-title: Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO2 suspension. A combined experimental and theoretical study
  publication-title: RSC Adv.
  doi: 10.1039/C5RA10523D
– ident: ref_11
  doi: 10.1002/9783527610884
– volume: 26
  start-page: 720
  year: 2012
  ident: ref_42
  article-title: Identification and characterization of stressed degradation products of metoprolol using LC/Q-TOF-ESI-MS/MS and MSn experiments
  publication-title: Biomed. Chromatogr.
  doi: 10.1002/bmc.1721
– volume: 323
  start-page: 250
  year: 2017
  ident: ref_33
  article-title: Identification and characterization of photodegradation products of metoprolol in the presence of natural fulvic acid by HPLC-UV-MSn
  publication-title: J. Hazard. Mater.
  doi: 10.1016/j.jhazmat.2016.05.072
– volume: 58
  start-page: 109
  year: 2001
  ident: ref_16
  article-title: PLS-regression: A basic tool of chemometrics
  publication-title: Chemom. Intell. Lab. Syst.
  doi: 10.1016/S0169-7439(01)00155-1
– volume: 76
  start-page: 487
  year: 2009
  ident: ref_14
  article-title: Photo-degradation of the antimicrobial ciprofloxacin at high pH: Identification and biodegradability assessment of the primary by-products
  publication-title: Chemosphere
  doi: 10.1016/j.chemosphere.2009.03.022
– volume: 5
  start-page: 372
  year: 2018
  ident: ref_29
  article-title: Elimination of macrolides in water bodies using photochemical oxidation
  publication-title: AIMS Environ. Sci.
  doi: 10.3934/environsci.2018.5.372
– volume: 472–473
  start-page: 314
  year: 2012
  ident: ref_38
  article-title: Degradation of thiamethoxam and metoprolol by UV, O3 and UV/O3 hybrid processes: Kinetics, degradation intermediates and toxicity
  publication-title: J. Hydrol.
– volume: 198
  start-page: 123
  year: 2011
  ident: ref_30
  article-title: Photocatalytic degradation of metoprolol tartrate in suspensions of two TiO2-based photocatalysts with different surface area. Identification of intermediates and proposal of degradation pathways
  publication-title: J. Hazard. Mater.
  doi: 10.1016/j.jhazmat.2011.10.017
– volume: 45
  start-page: 3205
  year: 2011
  ident: ref_46
  article-title: Electrochemical degradation of the β-blocker metoprolol by Ti/Ru0.7Ir0.3O2 and Ti/SnO2-Sb electrodes
  publication-title: Water Res.
  doi: 10.1016/j.watres.2011.03.040
– volume: 493
  start-page: 1112
  year: 2014
  ident: ref_6
  article-title: Beta-blockers in the environment: Part I. Mobility and hydrolysis study
  publication-title: Sci. Total Environ.
  doi: 10.1016/j.scitotenv.2014.06.023
– volume: 12
  start-page: 349
  year: 1993
  ident: ref_17
  article-title: A QSAR Approach for Estimating the Aquatic Toxicity of Soft Electrophiles [QSAR for Soft Electrophiles]
  publication-title: Quant. Struct. Relatsh.
  doi: 10.1002/qsar.19930120402
– volume: 10
  start-page: 20991
  year: 2020
  ident: ref_44
  article-title: Persulfate activation by nano zero-valent iron for the degradation of metoprolol in water: Influencing factors, degradation pathways and toxicity analysis
  publication-title: RSC Adv.
  doi: 10.1039/D0RA01273D
– ident: ref_12
  doi: 10.3390/ijerph18010077
– volume: 175
  start-page: 45
  year: 2010
  ident: ref_3
  article-title: Ecotoxicological aspects related to the presence of pharmaceuticals in the aquatic environment
  publication-title: J. Hazard. Mater.
  doi: 10.1016/j.jhazmat.2009.10.100
– volume: 43
  start-page: 5472
  year: 2009
  ident: ref_47
  article-title: Ozonation of metoprolol: Elucidation of oxidation pathways and major oxidation products
  publication-title: Environ. Sci. Technol.
  doi: 10.1021/es900280e
– ident: ref_18
– volume: 235
  start-page: 518
  year: 1956
  ident: ref_22
  article-title: A New Sensitive Chemical Actinometer. II. Potassium Ferrioxalate as a Standard Chemical Actinometer
  publication-title: Proc. R. Soc. A Math. Phys. Eng. Sci.
– volume: 194
  start-page: 111
  year: 2016
  ident: ref_31
  article-title: Photocatalytic mechanism of metoprolol oxidation by photocatalysts TiO2 and TiO2 doped with 5% B: Primary active species and intermediates
  publication-title: Appl. Catal. B Environ.
  doi: 10.1016/j.apcatb.2016.04.054
– volume: 85
  start-page: 693
  year: 2011
  ident: ref_13
  article-title: Transformation products of pharmaceuticals in surface waters and wastewater formed during photolysis and advanced oxidation processes-degradation, elucidation of byproducts and assessment of their biological potency
  publication-title: Chemosphere
  doi: 10.1016/j.chemosphere.2011.06.082
– ident: ref_2
– volume: 404
  start-page: 126482
  year: 2021
  ident: ref_40
  article-title: Combining biological processes with UV/H2O2 for metoprolol and metoprolol acid removal in hospital wastewater
  publication-title: Chem. Eng. J.
  doi: 10.1016/j.cej.2020.126482
– volume: 751
  start-page: 141634
  year: 2021
  ident: ref_26
  article-title: Structure and QSAR analysis of photoinduced transformation products of neonicotinoids from EU watchlist for ecotoxicological assessment
  publication-title: Sci. Total Environ.
  doi: 10.1016/j.scitotenv.2020.141634
– ident: ref_15
– volume: 305
  start-page: 19
  year: 2015
  ident: ref_35
  article-title: Photocatalytic degradation of β-blockers by using immobilized titania/silica on glass slides
  publication-title: J. Photochem. Photobiol. A Chem.
  doi: 10.1016/j.jphotochem.2015.02.014
– volume: 100
  start-page: 4127
  year: 1996
  ident: ref_24
  article-title: Determination of the Quantum Yield for the Photochemical Generation of Hydroxyl Radicals in TiO2 Suspensions
  publication-title: J. Phys. Chem.
  doi: 10.1021/jp9505800
– volume: 2
  start-page: 74
  year: 2020
  ident: ref_25
  article-title: Lomefloxacin—Occurrence in the German River Erft, Its Photo-Induced Elimination, and Assessment of Ecotoxicity
  publication-title: Clean Technol.
  doi: 10.3390/cleantechnol2010006
– volume: 101
  start-page: 315
  year: 2019
  ident: ref_27
  article-title: Determination of minimum inhibitory concentration and half maximal inhibitory concentration of antibiotics and their degradation products to assess the eco-toxicological potential
  publication-title: Toxicol. Environ. Chem.
  doi: 10.1080/02772248.2019.1687706
– ident: ref_19
– volume: 283
  start-page: 639
  year: 2016
  ident: ref_37
  article-title: Degradation of Metoprolol by photo-Fenton: Comparison of different photoreactors performance
  publication-title: Chem. Eng. J.
  doi: 10.1016/j.cej.2015.07.091
– volume: 596–597
  start-page: 303
  year: 2017
  ident: ref_8
  article-title: Occurrences and removal of pharmaceuticals and personal care products (PPCPs) in drinking water and water/sewage treatment plants: A review
  publication-title: Sci. Total Environ.
  doi: 10.1016/j.scitotenv.2017.04.102
– volume: 161
  start-page: 115
  year: 2011
  ident: ref_43
  article-title: Photocatalytic treatment of metoprolol and propranolol
  publication-title: Catal. Today
  doi: 10.1016/j.cattod.2010.09.026
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Snippet Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced...
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StartPage 3102
SubjectTerms Algae
Algorithms
AOPs
Artificial intelligence
Bioreactors
Chromatography, High Pressure Liquid
ecotoxicity
Ecotoxicology - methods
Environmental Monitoring - methods
Experiments
HPLC-HRMS
Hydrogen peroxide
Hydrogen Peroxide - chemistry
Hydrogen-Ion Concentration
Kinetics
Membrane reactors
Metoprolol
Metoprolol - analysis
Metoprolol - chemistry
Oxygen - chemistry
Ozone - chemistry
Photochemistry
Photodegradation
Photolysis
QSAR
Quantitative Structure-Activity Relationship
Radiation
Sewage - chemistry
Software
Ultraviolet Rays
Wastewater - chemistry
Water Pollutants, Chemical - analysis
Water Pollutants, Chemical - chemistry
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Title Metoprolol and Its Degradation and Transformation Products Using AOPs—Assessment of Aquatic Ecotoxicity Using QSAR
URI https://www.ncbi.nlm.nih.gov/pubmed/34067394
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Volume 26
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