NSF Young Investigator: Host-Guest Molecular Recognition in the Gas-Phase

这项来自有机动力学项目的NSF青年研究员奖支持了德克萨斯大学阿灵顿分校的迪尔登教授的工作。利用离子回旋共振和串联质谱学技术研究冠醚及其相关配体在气相中对金属离子和分子离子的本征分子识别性质。将使用基质辅助激光解吸和电喷雾电离技术。具体领域涉及(A)冠醚/碱金属主客体体系的鉴定，(B)单电荷碱土一卤化物和氨阳离子的鉴定，(C)手性主客体体系的鉴定，(D)生物电离团、酶/底物体系和环糊精的鉴定。Dearden教授将进行气相研究，以确定溶剂化在控制分子识别中的内在因素和作用。通过消除溶剂和反离子的影响，可以直接探测主客体之间的相互作用。这项工作将利用基质辅助激光解吸和电喷雾电离技术，使质谱学可以检测到的质量范围大大扩大。这项工作旨在开发化学和光谱探针来确定三维离子结构。

This NSF Young Investigator Award from the Organic Dynamics Program supports the work of Professor Dearden at the University of Texas at Arlington. Intrinsic molecular recognition properties of crown ethers and related ligands for metal and molecular ions will be investigated in the gas phase using ion cyclotron resonance and tandem mass spectrometric techniques. Use will be made of the matrix-assisted laser desorption and electrospray ionization techniques. The specific areas concern (a) the identification of crown ether / alkali metal host-guest systems, (b) singly-charged alkaline earth monohalides and ammonium cations, (c) chiral host-guest systems, (d) biological ionophores, enzyme / substrate systems, and cyclodextrins. %%% With this NYI award Professor David D. Dearden's will conduct gas phase studies to determine both the intrinsic factors and the role of solvation in governing molecular recognition. By eliminating the effects arising from solvents and counterions, the interaction between hosts and guests can be probed directly. This work will make use of matrix-assisted laser desorption and electrospray ionization techniques, enabling a greatly extended range of masses detectable by mass spectrometry. This work aims to develop chemical and spectroscopic probes to determine 3-dimensional ion structures.