Two-dimensional FTIR and machine learning detected molecular signatures of cadmium exposure in fish
Clarias batrachus fingerlings were exposed to multiple cadmium levels and muscle tissue analyzed with FTIR, 2DCOS and PCMW2DCOS. Lipid disruption dominated around 0.8-1.9 ppm, early protein changes appeared at 0.4-1.2 ppm, and carbohydrate alterations at 3.2-4.5 ppm. Amide-I shifts from alpha helices to beta turns supported protein instability. PCA-LDA achieved 96% accuracy, 96% F-score and MCC 0.94; linear and polynomial SVMs were reported around 96-97%, suggesting earlier stress detection than conventional one-dimensional FTIR.
Thai researchersB. Velmurugan