(A) Schematic of the SERS data analysis pipeline.
The details are
as follows: The SERS spectra used as functions of the Raman frequency
were normalized by MetaboAnalyst 4.0, using PQN. A t-test was used to unveil 5 features with the highest significance
discriminating the spectra of a given strain from that of the collection
of the remaining 21 bacterial strains. The corresponding SERS spectra
of these five regions (features) ±5 cm–1 around
these frequencies were integrated, and then, the integrals or peak
ratios were used as the criteria to determine the diagnostic capabilities
(ROC analysis). (B) Differences of C. neoformans SERS spectra as a function of the Raman frequency compared to the
pool of the 21 bacteria t-test. The analysis was
performed using MetaboAnalyst 4.0. This plot has been used to identify
the five regions with the best discriminatory performance (labeled
with an asterisk). The corresponding SERS spectra (C,E,G,I,K) and
normalized intensities (D,F,H,J,L) of these five regions are shown
on the right. The spectra of C. neoformans were marked with a red line, and other bacteria were marked with
a gray line. (M) Comparison of integrals used in the ROC analysis.