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Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations

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Borrego-Sánchez, A... [et al.]. Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations. Molecules 2021, 26, 4392. [https://doi.org/10.3390/molecules26154392]

http://hdl.handle.net/10481/70530

10.3390/molecules26154392

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(Ilíberis: fondo bibliográfico histórico de la Universidad de Granada)

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Title:: Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations
Tema:: Halloysite; Retinol; Niacinamide; Glycolic acid; Adsorption; Molecular modeling
Description:: This research was funded by Spanish Ministerio de Economia, Industria y Competitividad, grant number PCIN2017-098, and by Regional Government Junta de Andalucia with FEDER European contribution, grant number P18-RT-3786.; The adsorption of retinol, niacinamide and glycolic acid active ingredients on the internal surface of halloysite in an aqueous environment was explored at the molecular level by means of calculations based on quantum mechanics and force fields from empirical interatomic potentials. These active ingredients are stably adsorbed on the internal surface of halloysite forming hydrogen bonds between the hydrogen, oxygen and nitrogen atoms with the hydroxyl groups of the inner surface of the halloysite. In addition, electrostatic interaction between these active ingredients with the water molecules was observed. Therefore, the theoretical results indicate that the adsorption of these active principles is favourable in the halloysite nanotube, which allows directing future experimental investigations for the development and design of retinol, niacinamide and glycolic acid with halloysite nanotubes systems, which may be topical formulations for skincare.; Spanish Ministerio de Economia, Industria y Competitividad PCIN2017-098; Junta de Andalucia; European Commission P18-RT-3786
Idioma:: English
Autor/Productor:: Borrego Sánchez, Ana María; Sainz Díaz, Claro Ignacio; Perioli, Luana; Viseras Iborra, César Antonio
Publisher:: MDPI
Rights:: Atribución 3.0 España; http://creativecommons.org/licenses/by/3.0/es/; info:eu-repo/semantics/openAccess
Date:: 2021-09-29T11:16:49Z; 2021-07-21
Tipo de recurso:: info:eu-repo/semantics/article; info:eu-repo/semantics/publishedVersion

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1. <dc:title>Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations</dc:title>
2. <dc:creator>Borrego Sánchez, Ana María</dc:creator>
3. <dc:creator>Sainz Díaz, Claro Ignacio</dc:creator>
4. <dc:creator>Perioli, Luana</dc:creator>
5. <dc:creator>Viseras Iborra, César Antonio</dc:creator>
6. <dc:subject>Halloysite</dc:subject>
7. <dc:subject>Retinol</dc:subject>
8. <dc:subject>Niacinamide</dc:subject>
9. <dc:subject>Glycolic acid</dc:subject>
10. <dc:subject>Adsorption</dc:subject>
11. <dc:subject>Molecular modeling</dc:subject>
12. <dc:description>This research was funded by Spanish Ministerio de Economia, Industria y Competitividad, grant number PCIN2017-098, and by Regional Government Junta de Andalucia with FEDER European contribution, grant number P18-RT-3786.</dc:description>
13. <dc:description>The adsorption of retinol, niacinamide and glycolic acid active ingredients on the internal surface of halloysite in an aqueous environment was explored at the molecular level by means of calculations based on quantum mechanics and force fields from empirical interatomic potentials. These active ingredients are stably adsorbed on the internal surface of halloysite forming hydrogen bonds between the hydrogen, oxygen and nitrogen atoms with the hydroxyl groups of the inner surface of the halloysite. In addition, electrostatic interaction between these active ingredients with the water molecules was observed. Therefore, the theoretical results indicate that the adsorption of these active principles is favourable in the halloysite nanotube, which allows directing future experimental investigations for the development and design of retinol, niacinamide and glycolic acid with halloysite nanotubes systems, which may be topical formulations for skincare.</dc:description>
14. <dc:description>Spanish Ministerio de Economia, Industria y Competitividad PCIN2017-098</dc:description>
15. <dc:description>Junta de Andalucia</dc:description>
16. <dc:description>European Commission P18-RT-3786</dc:description>
17. <dc:date>2021-09-29T11:16:49Z</dc:date>
18. <dc:date>2021-09-29T11:16:49Z</dc:date>
19. <dc:date>2021-07-21</dc:date>
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22. <dc:identifier>Borrego-Sánchez, A... [et al.]. Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations. Molecules 2021, 26, 4392. [https://doi.org/10.3390/molecules26154392]</dc:identifier>
23. <dc:identifier>http://hdl.handle.net/10481/70530</dc:identifier>
24. <dc:identifier>10.3390/molecules26154392</dc:identifier>
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26. <dc:rights>Atribución 3.0 España</dc:rights>
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29. <dc:publisher>MDPI</dc:publisher>
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  3. <dc:creator>Perioli, Luana</dc:creator>
  4. <dc:creator>Viseras Iborra, César Antonio</dc:creator>
  5. <dc:date>2021-07-21</dc:date>
  6. <dc:description>This research was funded by Spanish Ministerio de Economia, Industria y Competitividad, grant number PCIN2017-098, and by Regional Government Junta de Andalucia with FEDER European contribution, grant number P18-RT-3786.</dc:description>
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