Modeling Aquatic Toxicity through Chromatographic Systems

Characterization and modeling of nonlinear hydrophobic interaction chromatographic systems.

A general rate model was employed in concert with a preferential interaction quadratic adsorption isotherm for the characterization of HIC resins and the prediction of solute behavior in these separation systems. The results indicate that both pore and surface diffusion play an important role in protein transport in HIC resins. The simulated and experimental solute profiles were compared for tw...

Aquatic Toxicity Assessment of Phosphate Compounds

OBJECTIVES Tricalcium phosphate and calcium hydrogenorthophosphate are high production volume chemicals, mainly used as foodstuff additives, pharmaceuticals, lubricants, synthetic resin, and disinfectants. Phosphate has the potential to cause increased algal growth leading to eutrophication in the aquatic environment. However, there is no adequate information available on risk assessment or acu...

Toxicity of fluoroquinolone antibiotics to aquatic organisms.

Toxicity tests were performed with seven fluoroquinolone antibiotics, ciprofloxacin, lomefloxacin, ofloxacin, levofloxacin, clinafloxacin, enrofloxacin, and flumequine, on five aquatic organisms. Overall toxicity values ranged from 7.9 to 23,000 microg/L. The cyanobacterium Microcystis aeruginosa was the most sensitive organism (5-d growth and reproduction, effective concentrations [EC50s] rang...

Higher Tier Laboratory Aquatic Toxicity Testing

Fingerprint-based detection of acute aquatic toxicity

In this work we show the effectiveness of 2D structural fingerprints in the prediction of aquatic toxicity of chemical compounds, creating a self-contained system for structure-based aquatic toxicity classification. Using the data from the U.S. Environmental Protection Agency Fat Head Minnow (EPA-FHM) dataset [1] we build a nonlinear RBF SVM [2] classifier that distinguishes acutely toxic compo...