Dataset Information

Multiclass Analysis for the Determination of Pharmaceuticals and Their Main Metabolites in Leafy and Root Vegetables.

ABSTRACT: The irrigation of soils with reclaimed contaminated wastewater or its amendment with sewage sludge contributes to the uptake of pharmaceuticals by vegetables growing in the soil. A multiresidue method has been devised to determine five pharmaceuticals and nine of their main metabolites in leafy and root vegetables. The method employs ultrasound-assisted extraction, clean-up via dispersive solid-phase extraction, and analysis through liquid chromatography-tandem mass spectrometry. Box-Behnken design was used to refine variables such as extraction solvent volume, time of extraction, number of extraction cycles, and the type and amount of d-SPE sorbent. The method achieved linearity (R²) greater than 0.994, precision (relative standard deviation) under 16% for most compounds, and detection limits ranging from 0.007 to 2.25 ng g^-1 dry weight. This method was applied to a leafy vegetable (lettuce) and to a root vegetable (carrot) sourced from a local market. Parent compounds were detected at higher concentrations than their metabolites, with the exception of carbamazepine-10,11-epoxide.

SUBMITTER: Mejias C

PROVIDER: S-EPMC11313980 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature

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Multiclass Analysis for the Determination of Pharmaceuticals and Their Main Metabolites in Leafy and Root Vegetables.

Mejías Carmen C Arenas Marina M Martín Julia J Santos Juan Luis JL Aparicio Irene I Alonso Esteban E

Molecules (Basel, Switzerland) 20240724 15

The irrigation of soils with reclaimed contaminated wastewater or its amendment with sewage sludge contributes to the uptake of pharmaceuticals by vegetables growing in the soil. A multiresidue method has been devised to determine five pharmaceuticals and nine of their main metabolites in leafy and root vegetables. The method employs ultrasound-assisted extraction, clean-up via dispersive solid-phase extraction, and analysis through liquid chromatography-tandem mass spectrometry. Box-Behnken des ...[more]

PMID: 39124876

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Project description:Cadmium (Cd) is a toxic element that can accumulate in edible plant tissues and negatively impact human health. Traditional Cd quantification methods are time-consuming, expensive, and generate a lot of toxic waste, slowing development of methods to reduce uptake. The objective of this study was to determine whether hyperspectral imaging (HSI) and machine learning (ML) can be used to predict Cd concentrations in plants using kale (Brassica oleracea) and basil (Ocimum basilicum) as model crops. The experiments were conducted in an automated phenotyping facility where all environmental conditions except soil Cd concentration were kept constant. Cd concentrations were determined at harvest using traditional methods and used to train the ML models with data collected from the imaging sensor. Visible/near infrared (VNIR) images were also collected at harvest and processed to calculate reflectance at 473 bands between 400 to 998 nm. All reflectance spectra were subject to the feature selection algorithm ReliefF and Principal Component Analysis (PCA) to generate data and provide input to evaluate three ML classification models: artificial neural network (ANN), ensemble learning (EL), and support vector machine (SVM). Plants were categorized according to Cd concentrations higher or lower than the safety threshold of 0.2 mg kg−1 Cd. Wavelengths with the highest ranks for Cd detection were between 519 and 574, and 692 and 732 nm, indicating that Cd content likely altered the plants’ chlorophyll content and altered leaf internal structure. All models were able to sort the plants into groups, though the model with the best F1 score was the ANN for the validation subset that utilized reflectance from all wavelengths. This study demonstrates that HSI and ML are promising technologies for the fast and precise diagnosis of Cd in leafy green plants, though additional studies are needed to adapt this approach for more complex field environments. Graphical abstract Highlights • Classification modeling can be used to estimate Cd concentrations in leafy greens.• Neural network model was the best algorithm in this study for classifying plants.• Cadmium induced changes in wavelengths linked with chlorophyll and leaf structure. ReliefF; Ensemble learning; Support vector machine; Neural networks basil; Kale.

Dataset Information

Multiclass Analysis for the Determination of Pharmaceuticals and Their Main Metabolites in Leafy and Root Vegetables.

Publications

Multiclass Analysis for the Determination of Pharmaceuticals and Their Main Metabolites in Leafy and Root Vegetables.

Similar Datasets

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