HSA-functionalized gold nanoparticles for SERS detection of sodium pentachlorophenate and ibuprofen: Multispectral characterization and molecular docking studies

This study developed a human serum albumin-functionalized gold core-shell nanocomposite (Au@HSA) to address limitations of commercial AuNPs in detecting sodium pentachlorophenol (NaPCP) and ibuprofen (IBU) via surface-enhanced Raman scattering (SERS). Molecular docking and multispectral analyses revealed HSA-induced structural transitions (α-helix to β-sheet) enhancing substrate stability and analyte adsorption. Optimized detection parameters (HSA: 1 μg/mL; pH 7 for NaPCP, pH 9 for IBU; 30–55 min incubation; Au@HSA-to-analyte ratios 2:1–5:2) enabled linear detection of both analytes (0.5–100 mg/L) with limits of 0.32 mg/L (NaPCP) and 0.27 mg/L (IBU). Validations in tap water and pears demonstrated 97.10 %–102.84 % recovery rates and ≤ 4.64 % RSD, confirming practical applicability. The Au@HSA platform overcomes commercial AuNP limitations by leveraging HSA's molecular recognition and stabilization properties, offering enhanced sensitivity for dual-pollutant monitoring in environmental and food samples. This work provides a robust solution for detecting toxic pesticides and pharmaceutical pollutants while advancing functional nanocomposite design for SERS-based sensing.