Label free detection of multiple trace antibiotics with SERS substrates and independent components analysis.

Surface enhanced Raman spectroscopy (SERS) has been widely studied and recognized as a powerful label-free technique for trace chemical analysis. However, its drawback in simultaneously identifying several molecular species has greatly limited its real-world applications. In this work, we reported a combination between SERS and independent component analysis (ICA) to detect several trace antibiotics which are commonly used in aquacultures, including malachite green, furazolidone, furaltadone hydrochloride, nitrofurantoin, and nitrofurazone. The analysis results indicate that the ICA method is highly effective in decomposing the measured SERS spectra. The target antibiotics could be precisely identified when the number of components and the sign of each independent component loading were properly optimized. With SERS substrates, the optimized ICA can identify trace molecules in a mixture at a concentration of 10 M achieving the correlation values to the reference molecular spectra of 71-98%. Furthermore, measurement results obtained from a real-world sample demonstration could also be recognized as an important basis to suggest this method is promising for monitoring antibiotics in a real aquatic environment.