Metal-Controlled Cycloaddition of 2‑Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid

Metal-controlled cycloaddition of 2-alkynyl-1,4-benzoquinones and electron-rich styrenyl systems were investigated. The density functional theory (DFT) calculations revealed that the regioselectivity of the cycloaddition results from the different activation modes of Bi(OTf)₃ and AuCl

Metal-Controlled Cycloaddition of 2‑Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid

Metal-controlled cycloaddition of 2-alkynyl-1,4-benzoquinones and electron-rich styrenyl systems were investigated. The density functional theory (DFT) calculations revealed that the regioselectivity of the cycloaddition results from the different activation modes of Bi(OTf)₃ and AuCl

1,2- and 1,4-Additions of 2‑Alkynylcyclohexadienimines with Aromatic Amines To Access 4‑Amino‑<i>N</i>‑arylindoles and -azepinoindoles

2-Alkynylcyclohexadienimines, derived from the oxidation of 2-alkynylanilines, react with aromatic amines leading to <i>N</i>-arylindoles with a 4-amino substitution. The reaction was metal-controlled, and Bi(OTf)₃ proved to be the best catalyst. The resulting 4-amino <i>N</i>-arylindoles could be converted to azepino[4,3,2-<i>cd</i>]indoles through condensation with aldehydes

Oxidative Nucleophilic Cyclization of 2‑Alkynylanilines with Thiophenols under Metal-Free Conditions

An oxidative nucleophilic cyclization of 2-alkynylanilines with thiophenols under metal-free conditions was developed. The one-pot two-step reaction involves a PhI­(OAc)₂-mediated oxidative dearomatization and a Brønsted acid promoted nucleophilic cyclization. DFT calculations were performed to understand the reaction pathway

Polysaccharides data set with descriptors and EC₅₀ values of the DPPH scavenging activity.

<p>Polysaccharides data set with descriptors and EC₅₀ values of the DPPH scavenging activity.</p

Comparison of MLR, ANN and SVM models for the DPPH scavenging activity of polysaccharides.

<p>Comparison of MLR, ANN and SVM models for the DPPH scavenging activity of polysaccharides.</p

Comparison of MLR, ANN and SVM models for the hydroxyl radicals scavenging activity of polysaccharides.

<p>Comparison of MLR, ANN and SVM models for the hydroxyl radicals scavenging activity of polysaccharides.</p

Correlation scatter plots of EC₅₀ and MW.

<p>Correlation scatter plots of EC₅₀ and MW.</p

Data distribution of parameter.

<p>Data distribution of parameter.</p

Experimental and predicted values of EC₅₀ for the DPPH-scavenging activity of polysaccharides using MLR, ANN and SVM models.

<p>Experimental and predicted values of EC₅₀ for the DPPH-scavenging activity of polysaccharides using MLR, ANN and SVM models.</p