Assessment of fluoride-induced bone alterations using spectroscopic and chemometric approaches: implications for environmental monitoring

Abstract This study investigates the physico-chemical alterations in goat bones associated with skeletal fluorosis using a combination of spectroscopic, structural, and compositional analyses. Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) were employed to characterize mineral changes, while elemental analysis provided insights into calcium and phosphorus dynamics. The results revealed significant physico-chemical alterations in fluorotic bone and demonstrated the potential of a multivariate predictive modelling for assessing skeletal fluorosis. To improve data interpretation and predictive accuracy, Principal Component Analysis (PCA) and Partial Least Squares Regression (PLSR) were employed. PCA revealed distinct clustering patterns based on fluoride exposure and age, while PLSR identified ash content, bone density, and FTIR band at 3570 cm − 1 as dominant predictors of fluoride accumulation. The PLSR model demonstrated excellent predictive performance (R 2 = 0.995, Q 2 = 0.994, RMSEP = 0.040 ppm) within the present dataset, indicating its potential for modelling fluoride accumulation. These findings demonstrate the potential of integrating spectroscopic and physico-chemical parameters to assess skeletal fluorosis in livestock. However, further validation with larger, geographically diverse datasets is required before broader practical application. The study is particularly relevant to fluoride-endemic regions, where environmental exposure may affect livestock health and, in turn, indirectly impact human populations through the food chain. This study demonstrates the value of integrating spectroscopic characterization with chemometric modelling to provide a comprehensive framework for assessing fluoride-induced bone alterations and predicting fluoride accumulation in bone.