Thermochemistry of Noncovalent Interactions and Metal-Ligand Bonds of Biological Relevance

点击翻译按钮获取中文摘要

In this project supported by the Experimental Physical Chemistry Program, Professor Mary T. Rodgers of Wayne State University and her group will carry out research designed to obtain absolute quantitative thermochemical, dynamical, and structural information regarding noncovalent interactions between metal ions and ligands. The systems chosen for study are of either biological relevance or analytical utility and include: model aromatic ligands, crown ethers, nucleic acid bases, model phosphate esters, and mono- and dinucleotides interacting with alkali, alkaline-earth, and transition metal ions. Experimental techniques will include guided ion-beam tandem mass spectrometry (GIBMS)and threshold collision-induced dissociation (TCID).The experiments are designed to measure directly either the absolute strength of the metal-ligand interaction, or the activation energy for activated dissociation processes of the metal-ligand complexes. These studies also provide structural and mechanistic information regarding such bond activation processes obtained in the form of concomitant theoretical work and through the analysis of decomposition pathways. Outcomes are expected to provide accurate thermodynamic information on a wide variety of metal-ligand complexes; this information is being compiled into thermochemical databases that will enable the characterization and understanding of periodic properties and trends. Biological mass spectrometry is a rapidly growing and evolving technology that has captured the interest of a broad community of researchers. Outcomes from this research will contribute to the underpinnings of the methodology, and add to its continuing development.