Reference number : GC-2017-Q1-01831, amendment number : , agreement type : G, recipient legal name : Hopkins, William (University of Waterloo), recipient country : CA, recipient province : nan, recipient city : Ontario, recipient postal code : nan, program name english : Discovery Grants Program - Individual, program name french : Programme de subventions à la découverte - individuelles, program purpose english : 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., program purpose french : 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., agreement title english : The Structures and Properties of Complex Systems, agreement title french : The Structures and Properties of Complex Systems, agreement number : RGPIN, agreement value : 140000.0, agreement start date : 2017-05-10, agreement end date : nan, description english : nan, description french : nan, expected results english : nan, expected results french : nan, additional information english : Grant or Award spanning more than one fiscal year. (2017-2018 to 2022-2023), additional information french : Subvention ou bourse octroyée s'appliquant à plus d'un exercice financier. (2017-2018 à 2022-2023), owner organization : nserc-crsng, owner organization title : Natural Sciences and Engineering Research Council of Canada | Conseil de recherches en sciences naturelles et en génie du Canada