Rapid detection of ibuprofen in water using wavelet-based hyperspectral imaging

Area of Science:

• Environmental Science
• Analytical Chemistry
• Spectroscopy

Background:

• Pharmaceuticals, including ibuprofen, are emerging contaminants in aquatic environments.
• Understanding ibuprofen's environmental presence is vital for assessing ecological risks.

Purpose of the Study:

• To develop and validate a hyperspectral imaging (HSI) method for detecting and quantifying ibuprofen in various liquid matrices.
• To assess the method's sensitivity, specificity, and robustness for environmental monitoring.

Main Methods:

• Utilized hyperspectral imaging (HSI) across visible, near-infrared, and short-wave infrared ranges.
• Applied Partial Least Squares Discriminant Analysis (PLS-DA) to spectral data, including wavelet transform preprocessing.
• Tested on ibuprofen in tap water, river water, and ethanol, assessing interference from other pharmaceuticals.

Main Results:

• The PLS-DA model successfully detected commercial ibuprofen formulations in diverse matrices.
• Wavelet transform analysis in the short-wave infrared region achieved 100% sensitivity and specificity for ibuprofen detection at 60 μg/L.
• The detection limit is relevant to Predicted No-Effect Concentrations (PNECs) for aquatic environments.

Conclusions:

• HSI combined with wavelet transform is a promising tool for rapid, pre-treatment-free environmental monitoring of ibuprofen.
• The method demonstrates high accuracy and robustness for detecting pharmaceutical contaminants in water.
• This approach supports effective assessment of ibuprofen's environmental impact.