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).

本计画将建立一种氧化还原反应性配向介质，应用于核磁共振波谱法解析有机化合物的结构。将使用侧链中具有二茂铁基团的基于多肽的聚合物作为取向介质。通过化学氧化该多肽，应获得模型分析物的残留偶极偶联的多个数据集，并评估其对现代从头结构解析方法的适用性。氧化为二茂铁离子将首先以化学方式进行，然后以电方式进行。的取向性能和控制的二茂铁的比例是特别感兴趣的应用程序作为取向介质。氧化态和所得聚合物构象的表征将通过各种光谱方法（NMR、UV/维斯、Mößbauer、CD）进行。