Encapsulation of dopamine within SU-101: insights by computational chemistry.

Chem Commun (Camb)

Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, AP Postal 55-534, C.P. 09340, Ciudad de Mexico, Mexico.

Published: July 2023

AI Article Synopsis

  • Researchers are addressing the challenge of protecting dopamine from oxidation by using SU-101 BioMOF as a host material.
  • They explored different ways dopamine can be adsorbed into the SU-101 structure using a strong computational method.
  • The findings indicate that encapsulating dopamine is possible, supported by experimental evidence showing non-covalent interactions within the SU-101 pores.

Article Abstract

Encapsulating and protecting dopamine from oxidation is a difficult challenge. We propose to use SU-101 BioMOF as a dopamine host, where we study different adsorption scenarios by a robust computational approach. Our results show that dopamine encapsulation is feasible with the formation of non-covalent interactions within the SU-101 pores. These computational results have been corroborated experimentally.

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Source
http://dx.doi.org/10.1039/d3cc02304dDOI Listing

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