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Author Spotlight: Advancing Therapeutics with Biocompatible Sodium Alginate Hydrogel Microspheres
Published on: June 7, 2024
Molecular Interactions between Methylene Blue and Sodium Alginate Studied by Molecular Orbital Calculations
Pasika Temeepresertkij1, Michio Iwaoka2, Satoru Iwamori1
1Graduate School of Science and Technology, Tokai University, Hiratsuka 259-1292, Kanagawa, Japan.
Abstract:
A methylene blue (MB) indicator embedded in sodium alginate (SA) film was previously examined for detecting active oxygen species. In a previous study, spectrometry was used to identify and characterize the MB/SA complex. However, the decolorization mechanism was not fully assessed. In this study, our aim is to conduct computational calculations at the B3LYP/6-31G(d) level to clarify the exact types and positions of the interaction that cause the decolorization in MB. The results demonstrate that MB/SA interacts with carboxylates (-COO(superscript)-(superscript)) of SA and the N, C, and S atoms of MB, confirming previous experimental observations.
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