Geue Niklas, Winpenny Richard E P, Barran Perdita E
Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, Department of Chemistry, The University of Manchester, 131 Princess Street, Manchester M1 7DN, U.K.
Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, U.K.
J Am Chem Soc. 2024 Apr 3;146(13):8800-8819. doi: 10.1021/jacs.4c00354. Epub 2024 Mar 18.
Understanding the composition, structure and stability of larger synthetic molecules is crucial for their design, yet currently the analytical tools commonly used do not always provide this information. In this perspective, we show how ion mobility mass spectrometry (IM-MS), in combination with tandem mass spectrometry, complementary techniques and computational methods, can be used to structurally characterize synthetic molecules, make and predict new complexes, monitor disassembly processes and determine stability. Using IM-MS, we present an experimental and computational framework for the analysis and design of complex molecular architectures such as (metallo)supramolecular cages, nanoclusters, interlocked molecules, rotaxanes, dendrimers, polymers and host-guest complexes.
了解较大合成分子的组成、结构和稳定性对于其设计至关重要，但目前常用的分析工具并不总能提供这些信息。从这个角度来看，我们展示了离子淌度质谱（IM-MS）如何与串联质谱、互补技术和计算方法相结合，用于对合成分子进行结构表征、生成和预测新的复合物、监测拆解过程以及确定稳定性。利用IM-MS，我们提出了一个实验和计算框架，用于分析和设计复杂的分子结构，如（金属）超分子笼、纳米团簇、互锁分子、轮烷、树枝状大分子、聚合物和主客体复合物。
