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嵌入半透明聚合物基质中的卟啉:荧光保留及分子对接研究

Porphyrins Embedded in Translucent Polymeric Substrates: Fluorescence Preservation and Molecular Docking Studies.

作者信息

González-Santiago Berenice, Vicente-Escobar Jonathan Osiris, de la Luz-Tlapaya Verónica, García-Gutiérrez Ponciano, García-Sánchez Miguel Ángel

机构信息

Instituto Politécnico Nacional, Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada-Unidad Legaria, Calzada Legaria 694, Alcaldía Miguel Hidalgo, Ciudad de México, 11500, México.

Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col.Vicentina, Ciudad de México, 09340, México.

出版信息

J Fluoresc. 2024 Jul;34(4):1707-1718. doi: 10.1007/s10895-023-03396-9. Epub 2023 Aug 19.

DOI:10.1007/s10895-023-03396-9
PMID:37597136
Abstract

This research describes the functionalization of polymer-matrix-trapping porphyrins, considering that the transcendental properties of meso-substituted porphyrins, such as optical and chemical stability, combined with the strength of the polymers, can produce photoactive advanced polymeric networks. Polystyrene (PS) and O,O´-bis-(2-aminopropyl)-polyethyleneglycol-300 (2NHpeg300, APEG), or their combination, were used to confine the meso-substituted porphyrin species 5,10,15,20-tetrakis(4'-carboxy-1,1'-biphenyl-4-yl)porphyrin and 5,10,15,20-tetrakis((pyridin-4-yl)phenyl)porphyrin. The samples were characterized by Fourier-transform infrared (FTIR), X-ray diffraction (XRD), ultraviolet-visible (UV-Vis) and fluorescence spectroscopies. The absorption and emission properties of the materials were compared to those of their respective porphyrin solutions. The fluorescence was preserved in the obtained composite through a mixture of polymers, PS, and APEG, yielding translucent polymeric networks. Moreover, analysis of individual polymeric assemblies by molecular docking was performed to support the understanding of the experimental findings. This analysis corroborates that the stronger the estimated binding energies, the stronger the interactions that occur between porphyrin and the polymer via non-polar covalent bonds.

摘要

本研究描述了聚合物基质捕获卟啉的功能化,考虑到中取代卟啉的卓越性能,如光学和化学稳定性,与聚合物的强度相结合,可产生光活性先进聚合物网络。使用聚苯乙烯(PS)和O,O´-双(2-氨丙基)-聚乙二醇-300(2NHpeg300,APEG)或它们的组合来限制中取代卟啉物种5,10,15,20-四(4'-羧基-1,1'-联苯-4-基)卟啉和5,10,15,20-四((吡啶-4-基)苯基)卟啉。通过傅里叶变换红外(FTIR)、X射线衍射(XRD)、紫外可见(UV-Vis)和荧光光谱对样品进行了表征。将材料的吸收和发射特性与其各自的卟啉溶液的特性进行了比较。通过聚合物、PS和APEG的混合物,在所得复合材料中保留了荧光,产生了半透明的聚合物网络。此外,通过分子对接对单个聚合物组件进行了分析,以支持对实验结果的理解。该分析证实,估计的结合能越强,卟啉与聚合物之间通过非极性共价键发生的相互作用就越强。

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