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Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals.

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Title: Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals.
Authors: Forero-Girón AC; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436., Gutiérrez-Oliva S; Laboratorio de Química Teórica Computacional (QTC), Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436., López-Alarcón C; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436., Herrera B; Laboratorio de Química Teórica Computacional (QTC), Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436. bherrera@uc.cl., Aliaga ME; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436. mealiaga@uc.cl.
Source: Journal of molecular modeling [J Mol Model] 2024 Sep 17; Vol. 30 (10), pp. 337. Date of Electronic Publication: 2024 Sep 17.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals.
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  Data: <searchLink fieldCode="AU" term="%22Forero-Girón+AC%22">Forero-Girón AC</searchLink>; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436.<br /><searchLink fieldCode="AU" term="%22Gutiérrez-Oliva+S%22">Gutiérrez-Oliva S</searchLink>; Laboratorio de Química Teórica Computacional (QTC), Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436.<br /><searchLink fieldCode="AU" term="%22López-Alarcón+C%22">López-Alarcón C</searchLink>; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436.<br /><searchLink fieldCode="AU" term="%22Herrera+B%22">Herrera B</searchLink>; Laboratorio de Química Teórica Computacional (QTC), Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436. bherrera@uc.cl.<br /><searchLink fieldCode="AU" term="%22Aliaga+ME%22">Aliaga ME</searchLink>; Departamento de Química Física, Escuela de Química, Facultad de Química y de Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago, Chile, 7820436. mealiaga@uc.cl.
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  Data: <searchLink fieldCode="JN" term="%229806569%22">Journal of molecular modeling</searchLink> [J Mol Model] 2024 Sep 17; Vol. 30 (10), pp. 337. <i>Date of Electronic Publication: </i>2024 Sep 17.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>9806569 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>0948-5023 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2209485023%22">09485023 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Model <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1007/s00894-024-06132-7
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      – Code: eng
        Text: English
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        StartPage: 337
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      – TitleFull: Computational study of the supramolecular complexation of azocompounds with cucurbit[7]uril: effects on the production and release of free radicals.
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              Text: 2024 Sep 17
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