Fluorescence Spectra Predict Microcystin-LR and Disinfection Byproduct Formation Potential in Lake Water.

Disinfection byproducts (DBPs) and algal toxins can be expensive to monitor and represent significant potential risks to human health. DBPs, including haloacetic acids and trihalomethanes, are possible or probable human carcinogens. Microcystin-LR-produced by cyanobacteria-is linked with various adverse health effects. Here we show that fluorescence spectra predict both microcystin-LR occurrence and DBP formation potential (DBPfp) in lake water. We compared models with either fluorescence spectra or a suite of water quality predictors as inputs. A regularized logistic regression model with fluorescence spectral inputs correctly classified 94% of test data with respect to microcystin-LR occurrence, with a 96% probability of correctly ranking a detect/nondetect pair. Regularized linear regression predicted DBPfp based on fluorescence inputs with a combined R2 of 0.83 on test data. A gradient-boosted classifier with seven water quality inputs was comparable in detecting microcystin-LR (91% correct), as was UV254 in predicting DBPfp (combined test R2 = 0.84), but no single parameter matched fluorescence spectra over both predictive tasks. Results highlight the potential for multiparameter monitoring via fluorescence spectroscopy, extending previous work on predicting DBPs alone. As a high-frequency monitoring tool, this approach could supplement mass spectrometric methods that may only be applicable at low frequency due to resource limitations.