Strategic management of nitrate pollution from contaminated water using viable adsorbents: An economic assessment-based review with possible policy suggestions

B Bishayee, RP Chatterjee, B Ruj… - Journal of environmental …, 2022 - Elsevier
Groundwater contaminated with nitrate has prompted a flurry of research studies around the
world in the recent years to address this burning environmental issue. The common …

Artificial intelligence in synthetic chemistry: achievements and prospects

II Baskin, TI Madzhidov, IS Antipin… - Russian Chemical …, 2017 - iopscience.iop.org
The review is devoted to the achievements in analysis of information on chemical reactions
using machine learning methods. Four large areas that actively use these methods are …

Transfer learning approach to multitarget temperature-dependent reaction rate prediction

E Al Ibrahim, A Farooq - The Journal of Physical Chemistry A, 2022 - ACS Publications
Accurate prediction of temperature-dependent reaction rate constants of organic compounds
is of great importance to both atmospheric chemistry and combustion science. Extensive …

UV direct photolysis of halogenated disinfection byproducts: Experimental study and QSAR modeling

Y Zhang, Y Xiao, Y Zhang, TT Lim - Chemosphere, 2019 - Elsevier
UV direct photolysis has been used as a promising process to remove halogenated
disinfection byproducts (DBPs) generated in water. In this study, experimental studies and …

Quantitative-Structure-Activity-Relationship (QSAR) models for the reaction rate and temperature of nitrogenous organic compounds in supercritical water oxidation …

Z Cheng, B Yang, Q Chen, X Gao, Y Tan, T Yuan… - Chemical Engineering …, 2018 - Elsevier
Supercritical water oxidation (SCWO), in which hazardous wastes are removed from water at
high temperature and pressure, is an effective method for wastewater treatment. To gain a …

Quantitative relationships between molecular parameters and reaction rate of organic chemicals in Fenton process in temperature range of 15.8 C–60 C

Z Cheng, B Yang, Q Chen, Z Shen, T Yuan - Chemical engineering journal, 2018 - Elsevier
In order to have a better prediction for the degradation reaction rate constant of organic
compounds in Fenton process at different temperatures. A partial least squares (PLS) model …

Multi-target QSPR modeling for simultaneous prediction of multiple gas-phase kinetic rate constants of diverse chemicals

N Basant, S Gupta - Atmospheric Environment, 2018 - Elsevier
The reactions of molecular ozone (O 3), hydroxyl (• OH) and nitrate (NO 3) radicals are
among the major pathways of removal of volatile organic compounds (VOCs) in the …

QSAR models for predicting the toxicity of piperidine derivatives against Aedes aegypti

JP Doucet, E Papa, A Doucet-Panaye… - SAR and QSAR in …, 2017 - Taylor & Francis
QSAR models are proposed for predicting the toxicity of 33 piperidine derivatives against
Aedes aegypti. From 2D topological descriptors, calculated with the PaDEL software …

Modeling the pH and temperature dependence of aqueousphase hydroxyl radical reaction rate constants of organic micropollutants using QSPR approach

S Gupta, N Basant - Environmental Science and Pollution Research, 2017 - Springer
Designing of advanced oxidation process (AOP) requires knowledge of the aqueous phase
hydroxyl radical (● OH) reactions rate constants (k OH), which are strictly dependent upon …

QSRR approach: application to retention mechanism in liquid chromatography

J Krmar, B Svrkota, N Đajić… - Novel Aspects of …, 2023 - farfar.pharmacy.bg.ac.rs
One-factor-at-a-time experimentation was used for a long time as gold-standard optimization
for liquid chromatographic (LC) method development. This approach has two downsides as …