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  1. Bahadar A, Kanthasamy R, Sait HH, Zwawi M, Algarni M, Ayodele BV, et al.
    Chemosphere, 2022 Jan;287(Pt 1):132052.
    PMID: 34478965 DOI: 10.1016/j.chemosphere.2021.132052
    The thermochemical processes such as gasification and co-gasification of biomass and coal are promising route for producing hydrogen-rich syngas. However, the process is characterized with complex reactions that pose a tremendous challenge in terms of controlling the process variables. This challenge can be overcome using appropriate machine learning algorithm to model the nonlinear complex relationship between the predictors and the targeted response. Hence, this study aimed to employ various machine learning algorithms such as regression models, support vector machine regression (SVM), gaussian processing regression (GPR), and artificial neural networks (ANN) for modeling hydrogen-rich syngas production by gasification and co-gasification of biomass and coal. A total of 12 machine learning algorithms which comprises the regression models, SVM, GPR, and ANN were configured, trained using 124 datasets. The performances of the algorithms were evaluated using the coefficient of determination (R2), root mean square error (RMSE), mean square error (MSE), and mean absolute error (MAE). In all cases, the ANN algorithms offer superior performances and displayed robust predictions of the hydrogen-rich syngas from the co-gasification processes. The R2 of both the Levenberg-Marquardt- and Bayesian Regularization-trained ANN obtained from the prediction of the hydrogen-rich syngas was found to be within 0.857-0.998 with low prediction errors. The sensitivity analysis to determine the effect of the process parameters on the model output revealed that all the parameters showed a varying level of influence. In most of the processes, the gasification temperature was found to have the most significant influence on the model output.
  2. Zaman K, Rahim F, Taha M, Sajid M, Hayat S, Nawaz M, et al.
    Bioorg Chem, 2021 10;115:105199.
    PMID: 34329995 DOI: 10.1016/j.bioorg.2021.105199
    Synthesis of quinoline analogs and their urease inhibitory activities with reference to the standard drug, thiourea (IC50 = 21.86 ± 0.40 µM) are presented in this study. The inhibitory activity range is (IC50 = 0.60 ± 0.01 to 24.10 ± 0.70 µM) which displayed that it is most potent class of urease inhibitor. Analog 1-9, and 11-13 emerged with many times greater antiurease potential than thiourea, in which analog 1, 2, 3, 4, 8, 9, and 11 (IC50 = 3.50 ± 0.10, 7.20 ± 0.20, 1.30 ± 0.10, 2.30 ± 0.10, 0.60 ± 0.01, 1.05 ± 0.10 and 2.60 ± 0.10 µM respectively) were appeared the most potent ones among the series. In this context, most potent analogs such as 1, 3, 4, 8, and 9 were further subjected for their in vitro antinematodal study against C. elegans to examine its cytotoxicity under positive control of standard drug, Levamisole. Consequently, the cytotoxicity profile displayed that analogs 3, 8, and 9 were found with minimum cytotoxic outline at higher concentration (500 µg/mL). All analogs were characterized through 1H NMR, 13C NMR and HR-EIMS. The protein-ligand binding interaction for most potent analogs was confirmed via molecular docking study.
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