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The SERS enhancement profile suggests a charge transfer from the metal to molecule in the green region of the visible spectrum and evidences the higher complexity of the electronic transitions that take place within the surface complex. To support the experimental data, DFT and TDDFT calculations were performed for Nisa, Ag(Nisa), Nisa- and Nisa@Ag20 cluster.The interaction of acenaphthene (ACN), a widespread environmental pollutant, with bovine serum albumin (BSA) was explored using spectroscopic methods, molecular modeling and chemom