Stability Constant and Potentiometric Sensitivity of Heavy Metal-Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel Coumarin-like Ligands.

ABSTRACT: Industrial wastewater often consists of toxic chemicals and pollutants, which are extremely harmful to the environment. Heavy metals are toxic chemicals and considered one of the major hazards to the aquatic ecosystem. Analytical techniques, such as potentiometric methods, are some of the methods to detect heavy metals in wastewaters. In this work, the quantitative structure-property relationship (QSPR) was applied using a range of machine learning techniques to predict the stability constant (logβ_ML) and potentiometric sensitivity (PS_ML) of 200 ligands in complexes with the heavy metal ions Cu²⁺, Cd²⁺, and Pb²⁺. In result, the logβML models developed for four ions showed good performance with square correlation coefficients (R^2</

SUBMITTER: Diem-Tran PT 

PROVIDER: S-EPMC10383909 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature