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(rifampicin). The high degree of agreement between experimental and theoretical spectra provides a validated spectral fingerprint for these compounds. These results serve as a reference framework for antibiotic identification and classification and offer a foundation for mechanistic interpretation of spectral changes observed in bacteria under antibiotic pressure, supporting future applications of vibrational spectroscopy in drug monitoring, resistance profiling, and high-throughput screening within AMR research.
Mclean et al. (Fri,) studied this question.