The Structures and Properties of Complex Systems

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The Hopkins research program is focused on solvingproblems that are associated with complex nanocluster systems. We employ a suite ofexperimental and computational techniques to determine cluster structures andphysicochemical properties, which we then compare to those of condensed phasesystems to garner insight into the evolution of bulk properties. Our researchproceeds along two thematic lines; studies of clusters with complex electronicstructures, 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-cancerdrugs). Our goal is to make progress in each of these thematic streams ofresearch such that in the long-term we will be able to treat clusters that arecomplex both electronically and geometrically.Our research program, while based in fundamental physicalchemistry and chemical physics, does address open questions in other scientificsub-disciplines. We are particularly excited about our recent workdemonstrating the application of our scientific methods to drug discovery. Incollaboration with researchers at SCIEX and Pfizer, we have shown that differentialmobility spectrometry (DMS) can be used to determine the physicochemicalproperties 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 drugcandidates. By unambiguously characterizing the geometric structures of thedrug molecules which give rise to specific physicochemical properties (e.g.,rates of diffusion through cell membranes), we will provide unprecedenteddetail for the refinement of the quantitative structure-activity relationships(QSARs) used in rational drug design. Chronic diseases such as cancer and heartdisease are the leading causes of death in Canada; each year, chronic diseasesclaim more than 170,000 lives nationwide. The proposed research will provideinformation that will significantly enhance the rates of drug discovery fortreatment of these diseases. Moreover, using the same combined experimental and computationalapproach described herein, we will also study clusters which are model systems for heterogeneouscatalysis, quantum-confinement, and molecular magnetism. These studies will addto the fundamental description of the chemistry and physics that underpinstechnological applications in, e.g., quantum information processing, light-harvesting,and energy storage.The proposed research will ensure that Canada remains atthe forefront of technology and innovation, and will train highly qualifiedpersonnel who will become leaders in our future innovation economy. Ultimately,the proposed research will improve the health and well-being of Canadians.