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Occurrence and fate of chiral and achiral drugs in estuarine water: a case study of the Clyde estuary, Scotland. [Dataset]


Colin F. Moffat
Data Curator


The Supplementary Information contains details on the methods used in the microcosm study and the corresponding results and discussion. Five tables are also included which detail the instrumental precision and accuracy, method performance data, drug degradation rates and half-lives in microcosm studies, replicate data of fish analysis and dissolved oxygen, pH, and temperature data from microcosms.


PETRIE, B. and MOFFAT, C.F. 2022. Occurrence and fate of chiral and achiral drugs in estuarine water: a case study of the Clyde estuary, Scotland. [Dataset]. Environmental science process and impacts [online], 24(4), pages 547-556. Available from:

Acceptance Date Feb 14, 2022
Online Publication Date Feb 25, 2022
Publication Date Apr 1, 2022
Deposit Date Mar 7, 2022
Publicly Available Date Feb 26, 2023
Publisher Royal Society of Chemistry
Keywords Marine; Pharmaceutical; Fish; Bioaccumulation factor; Emerging contaminant; River
Public URL
Related Public URLs
Type of Data Five supplementary tables.
Collection Date Nov 28, 2021
Collection Method The water sample used in the microcosm study was kept cool (but not frozen) for 72 hours before use. Four 2 L vessels of water were prepared in borosilicate Duran bottles. Two vessels were treated with 1 g L-1 NaN3 to inhibit microbial activity (abiotic conditions). One biotic and one abiotic vessel were kept in a cold room maintained at 4 °C in the dark. The other biotic and abiotic vessels were kept in an All-Round Toxkit Incubator (Microbiotests, Gent, Belgium) under light provided by light emitting diode lamps. The contents of the various vessels were continually mixed on a magnetic stirrer. This achieved a water temperature of 8 °C in all vessels (Table S5). Once this temperature was reached, each vessel was spiked at 1 µg L-1 with individual drug enantiomers using 100 µL of a 20 µg mL-1 mixed analyte solution in 50:50 water: methanol (achiral analytes were at 40 µg mL-1 and were therefore spiked at 2 µg L-1). Each microcosm was sampled (25 mL) in triplicate at the following intervals: 0, 0.33, 1, 1.33, 4, 5, 7, 8, 11 and 14 days. Water samples were filtered through GF/F filters (0.7 μm) and 500 mL aliquots spiked with 100 ng L−1 individual deuterated and carbon-13 enriched standards (200 ng L−1 for achiral analytes). To achieve this, 50 μL of a mixed deuterated enantiomer solution at 1 μg mL−1 (2 μg mL−1 for achiral deuterated and carbon-13 standards) in methanol was used as the spike. Solid phase extraction (SPE) cartridges (200 mg Oasis HLB; Waters Corp., Manchester, UK) were conditioned using methanol (4 mL) and equilibrated using water (4 mL). Samples were loaded at 10 mL min−1 followed by a cleaning step of 50 mL ultrapure water to remove excess salts. Elution was performed using acetonitrile (6 mL). Extracts were dried under nitrogen whilst heated at 40 °C and then reconstituted in methanol (0.25 mL) for enantioselective LC-MS/MS analysis. All extractions were performed in triplicate.


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