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Quantitative structure - Mobility relationship study of a diverse set of organic acids using classification and regression trees and adaptive neuro-fuzzy inference systems
, Article Electrophoresis ; Volume 29, Issue 2 , 2008 , Pages 363-374 ; 01730835 (ISSN) ; Shahbazikhah, P ; Sharif University of Technology
2008
Abstract
A quantitative structure-mobility relationship was developed to accurately predict the electrophoretic mobility of organic acids. The absolute electrophoretic mobilities (μ0) of a diverse dataset consisting of 115 carboxylic and sulfonic acids were investigated. A set of 1195 zero- to three-dimensional descriptors representing various structural characteristics was calculated for each molecule in the dataset. Classification and regression trees were successfully used as a descriptor selection method. Four descriptors were selected and used as inputs for adaptive neuro-fuzzy inference system. The root mean square errors for the calibration and prediction sets are 1.61 and 2.27, respectively,...
A facile one-pot, four-component synthesis of (Z)-isomer of rhodanine-oxindole derivatives under environmentally benevolent conditions
, Article Synthetic Communications ; Volume 52, Issue 2 , 2022 , Pages 175-184 ; 00397911 (ISSN) ; Aghamiri, B ; Jalalinik, M ; Sharif University of Technology
Taylor and Francis Ltd
2022
Abstract
Herein, an efficient and sustainable one-pot, four-component access to rhodanine-oxindole derivatives is achieved by a reaction between primary amines, carbon disulfide, ethyl chloroacetate, and cyano-substituted alkenyl oxindoles. The reaction was conducted without any harsh conditions as well as exhausting workup in polyethylene glycol (PEG) as a green solvent at room temperature and delivered rhodanine-oxindole products in high yield. This publication is the first easy protocol to be reported for the rapid construction of new rhodanine-oxindole derivatives at room temperature without harsh conditions and via multicomponent reaction. © 2021 Taylor & Francis Group, LLC