The Structures and Properties of Complex Systems

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*The Hopkins research program is focused on solving*problems that are associated with complex nanocluster systems. We employ a suite of*experimental and computational techniques to determine cluster structures and*physicochemical properties, which we then compare to those of condensed phase*systems to garner insight into the evolution of bulk properties. Our research*proceeds along two thematic lines; studies of clusters with complex electronic*structures, which usually exhibit interesting magnetic or catalytic properties,*and clusters with complex geometric structures, like microsolvated ions (aka, nanosolutions)*and biologically-relevant complexes (e.g., complexes of DNA and anti-cancer*drugs). Our goal is to make progress in each of these thematic streams of*research such that in the long-term we will be able to treat clusters that are*complex both electronically and geometrically.*******Our research program, while based in fundamental physical*chemistry and chemical physics, does address open questions in other scientific*sub-disciplines. We are particularly excited about our recent work*demonstrating the application of our scientific methods to drug discovery. In*collaboration with researchers at SCIEX and Pfizer, we have shown that differential*mobility spectrometry (DMS) can be used to determine the physicochemical*properties of drug candidates in seconds with only nanograms of sample. Here,*we propose to use laser spectroscopy to probe mobility-selected molecules, with emphasis placed on studying drug*candidates. By unambiguously characterizing the geometric structures of the*drug molecules which give rise to specific physicochemical properties (e.g.,*rates of diffusion through cell membranes), we will provide unprecedented*detail for the refinement of the quantitative structure-activity relationships*(QSARs) used in rational drug design. Chronic diseases such as cancer and heart*disease are the leading causes of death in Canada; each year, chronic diseases*claim more than 170,000 lives nationwide. The proposed research will provide*information that will significantly enhance the rates of drug discovery for*treatment of these diseases. Moreover, using the same combined experimental and computational*approach described herein, we will also study clusters which are model systems for heterogeneous*catalysis, quantum-confinement, and molecular magnetism. These studies will add*to the fundamental description of the chemistry and physics that underpins*technological applications in, e.g., quantum information processing, light-harvesting,*and energy storage.*******The proposed research will ensure that Canada remains at*the forefront of technology and innovation, and will train highly qualified*personnel who will become leaders in our future innovation economy. Ultimately,*the proposed research will improve the health and well-being of Canadians.***************** ****