Redox-responsive Alignment Media for the de novo structure elucidation of organic compounds via NMR Spectroscopy

用于通过核磁共振波谱从头阐明有机化合物结构的氧化还原响应排列介质

• 批准号: 531559787
• 负责人: Professorin Dr. Christina Marie Thiele
• 金额: --
• 依托单位: Arbeitskreis Thiele
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/531559787?language=en
• 关键词: Redox; responsive; Alignment; Media; de

In this project, a redox-responsive alignment medium shall be established for application in the structure elucidation of organic compounds via NMR spectroscopy. A polypeptide-based polymer with ferrocene groups in the side chains will be used as alignment medium. By chemical oxidation of this polypeptide, multiple data sets of residual dipolar couplings of a model analyte shall be obtained and their suitability for modern methods of de novo structure elucidation will be assessed. The oxidation to ferrocenium ions will first be done chemically and later electrically. The orientational properties and the control of the ferrocene to ferrocenium ratio are of particular interest for the application as an alignment medium. The characterization of the oxidation state and the resulting polymer conformation will be done via various spectroscopic methods (NMR, UV/Vis, Mößbauer, CD).

在这个项目中，将建立一种氧化还原响应性的排列介质，用于通过核磁共振波谱来确定有机化合物的结构。将使用侧链上含有二茂铁基团的多肽聚合物作为比对介质。通过这种多肽的化学氧化，将获得模型分析物的剩余偶极偶联的多个数据集，并将评估它们对现代从头结构解释方法的适用性。氧化成二茂铁离子将首先在化学上进行，然后在电子上进行。二茂铁/二茂铁比例的取向性和控制对于作为取向介质的应用是特别重要的。氧化态和生成的聚合物构象的表征将通过各种光谱方法(核磁共振、UV/VIS、Möber Bauer、CD)来完成。