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Record W7116906178 · doi:10.1002/jssc.70338

Determination of 116 Pharmaceuticals and Personal Care Products in Water by Ultra‐High Performance Liquid Chromatography‐Tandem Mass Spectrometry

2025· article· en· W7116906178 on OpenAlex
Ming Xue, Yuwei Hong, Yanhong Lu, Shaoyin Liu, Haocheng Wu

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of Separation Science · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicPharmaceutical and Antibiotic Environmental Impacts
Canadian institutionsInstitute of Infection and Immunity
Fundersnot available
KeywordsAnalyteDetection limitMelamineExtraction (chemistry)Calibration curveLiquid chromatography–mass spectrometryMass spectrometryResidue (chemistry)

Abstract

fetched live from OpenAlex

This study examined an improved and simplified method for solid-phase extraction that provides rapid and accurate determination and identification of 116 pharmaceutical and personal care products (PPCPs) in an aqueous environment using ultra-high performance liquid chromatography-tandem mass spectrometry. The common active compounds include 22 sulfonamides, 18 quinolones, 8 macrolides, 18 β-agonists, 6 sedative-hypnotics, 3 antipyretic-analgesics, 3 antihypertensives, 2 antidiabetic drugs, 3 antihistamines, 8 sex hormones, 2 antivirals, 6 nitroimidazoles, 8 glucocorticoids, and 3 amphenicols, lincomycin, pimaricin, levothyroxine sodium, bisphenol A, aldosterone, and melamine in water samples. Key parameters of tandem mass spectrometry, ultra-high performance liquid chromatography, and solid-phase extraction were optimized to enhance the analytical performance. The calibration curves were accomplished at seven concentration levels, and a satisfactory linear relationship (R > 0.99) was observed within the range of 5-800 ng/mL. Results showed varying limits of detection (0.0136-13.3 ng/L for different analytes based on signal-to-noise (S/N) = 3) and limits of quantitation (0.0452-44.4 ng/L). Recoveries of the spiked samples ranged from 53.1% to 116.5% with relative standard deviation lower than 9.9%. This approach effectively minimized matrix interference, improved extraction efficiency, and enhanced detection sensitivity, enabling more accurate PPCP residue analysis in water. The validated method was applied to raw water, treated water, and river water samples from Hangzhou, detecting 47 compounds at concentrations ranging from nondetected to 359 ng/L. Our findings provided critical technical support for the preliminary establishment of an environmental monitoring system targeting emerging pollutants. Notably, to the best of our knowledge, this study represented the first reported detection of melamine, loratadine, aldosterone, and levothyroxine sodium in aquatic environments. In particular, melamine was detected in aquatic environment for the first time, thus expanding the understanding of PPCPs' pollution status.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.054
Threshold uncertainty score0.283

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.016
GPT teacher head0.317
Teacher spread0.301 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it