Integrative Modeling/Simulation and Experimental Validation of Therapeutic Nanodiamond Materials

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Nanodiamonds possess several properties that enable their versatile application towards drug delivery. For example, they can carry and release proteins, small molecules, genetic material, etc. They can also be applied as particle-based vehicles for pervasive delivery, or integrated within devices for localized treatment. To optimize the therapeutic potential of the nanodiamonds, a broader understanding of their chemical/mechanical properties will be addressed by this research program. This information will uncover the fundamental science underlying nanodiamond particle structure, chemical composition/distribution on nanodiamond surfaces, and drug attachment/detachment mechanisms, etc. This program unites complementary expertise in mechanical/biomedical engineering, chemistry, and engineering education research towards the comprehensive analysis of fundamental nanodiamond properties via atomistic, quantum, and continuum modeling/simulations. Information gleaned from these studies will be integrated with experimental validation towards the intelligent design of therapeutic nanodiamond particles and devices.This program will merge nanodiamond and engineering education research to train the next generation of scientific/engineering leaders. The educational/outreach plan will integrate educational module design, faculty guest lectures, and custom designed experimental kits to impact a diverse student population and increase nanotechnology interest. These modules will also be co-designed with partner teachers. Module topics will include an introduction to nanocarbon materials/devices, nanobiology, etc. Images derived from the modeling/simulation project objectives will be used to accomplish the challenge of visually illustrating nanotechnology concepts. Module/experimental kit implementation will be coordinated by postdoctoral researchers and graduate students, and feedback/analysis of the outreach program efficacy will be conducted in collaboration with the Northwestern Center for Engineering Education Research.