Interactions between Methylene Blue and Pullulan by Molecular Orbital Calculations

カテゴリ: 研究会(論文単位)

論文No: DEI20018,EFM20018

グループ名: 【A】基礎・材料・共通部門 誘電・絶縁材料/【C】電子・情報・システム部門 電子材料合同研究会

発行日: 2020/01/22

タイトル(英語): Interactions between Methylene Blue and Pullulan by Molecular Orbital Calculations

著者名: Temeeprasertkij Pasika( Tokai University),Yenchit Saranya( Tokai University),Iwaoka Michio( Tokai University),Iwamori Satoru( Tokai University)

著者名(英語): Pasika Temeeprasertkij( Tokai University),Saranya Yenchit( Tokai University),Michio Iwaoka( Tokai University),Satoru Iwamori( Tokai University)

キーワード: Methylene Blue|Pullulan|Molecular Orbital Calculations|Interaction|Gaussview |Gaussian09 |Methylene Blue|Pullulan|Molecular Orbital Calculations|Interaction|Gaussview |Gaussian09

要約(日本語): From our previous research, succeeded in developing an indicator to detect Active Oxygen Species. The indicator in this study is a thin film of pullulan mixed with Methylene Blue (MB) dye that undergoes decoloization. Gaussview and Gaussian09 program were used to analyze the interaction position between MB and pullulan. The large structure of pullulan is difficult to comprehend the interaction position between these two chemicals. Therefore, in this study we achieve the Molecular Orbitals (MO) to predict the location of atoms to identify chemical interactions between molecules. We found hydrogen bonding between hydroxyl group (OH) of pullulan and nitrogen (N) of MB.

要約(英語): From our previous research, succeeded in developing an indicator to detect Active Oxygen Species. The indicator in this study is a thin film of pullulan mixed with Methylene Blue (MB) dye that undergoes decoloization. Gaussview and Gaussian09 program were used to analyze the interaction position between MB and pullulan. The large structure of pullulan is difficult to comprehend the interaction position between these two chemicals. Therefore, in this study we achieve the Molecular Orbitals (MO) to predict the location of atoms to identify chemical interactions between molecules. We found hydrogen bonding between hydroxyl group (OH) of pullulan and nitrogen (N) of MB.

原稿種別: 英語

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