BEGIN:VCALENDAR VERSION:2.0 PRODID:-//jEvents 2.0 for Joomla//EN CALSCALE:GREGORIAN METHOD:PUBLISH BEGIN:VEVENT UID:a303f25bf4394133ffe04604a25e33b0 CATEGORIES:Colloquium CREATED:20190104T194522 SUMMARY:Professor Hao Zhu DESCRIPTION:Professor Hao ZhuRutgers University - CamdenHosted By Lu Wang\nTuesday Marc h 5, 2019\n11:00am, CCB Auditorium\n“Digital Nano: Rational Design of Bioco mpatible Nanomaterials by Digitalizing Nanostructures”\nThe use of nanomate rials has grown substantially over the past decade. Traditional discovery o f biocompatible nanoparticles is expensive and time-consuming. Computationa l modeling methods thus are highly demanded in designing nanomaterials. How ever, none of the existing computational approaches are applicable to nanom aterials due to the limitations of the current modeling approaches and the complexities of nanomaterial structures. Here, we report several novel comp utational approaches that build large virtual nanoparticle libraries to inv estigate their biological properties and guide the experimental studies. Th e key of these approaches is to simulate and digitalize complex nanostructu res. For example, we synthesized 34 functionalized gold nanoparticles (GNPs ) and examined them against various bioassays for their nano-bio interactio ns. Then, we simulated their structures, calculated various nanodescriptors , and developed relevant predictive models. Based on the prediction of the resulting models, we further synthesized seven novel GNPs with new structur es and characterized them using the same bioassays. It showed that the deve loped models successfully predicted new GNPs with desired properties. There fore, with the virtual GNP library modeling and experimental validation, we proved the feasibility to greatly reduce the experimental cost in nanoscie nce. In several recent studies, we advanced this approach by utilizing popu lar data-driven techniques, such as imagine modeling. The development of th e novel virtual GNP library and nanostructure digitalization approach paves the path for a new generation of nanomodeling and can be easily applied to designing biocompatible nanoparticles and nanomaterials with multiple desi red bioactivities.\n~Coffee/tea will be served prior to lecture.~\n X-ALT-DESC;FMTTYPE=text/html:
Tuesday March 5, 2019
11:00am, CCB Auditorium
“ Digital Nano: Rational Design of Biocompatible Nanomaterials by Digita lizing Nanostructures”
The use of nanomaterials has grown substantial ly over the past decade. Traditional discovery of biocompatible nanopa rticles is expensive and time-consuming. Computational modeling methods thu s are highly demanded in designing nanomaterials. However, none of the exis ting computational approaches are applicable to nanomaterials due to the li mitations of the current modeling approaches and the complexities of n anomaterial structures. Here, we report several novel computational ap proaches that build large virtual nanoparticle libraries to investigate the ir biological properties and guide the experimental studies. The key o f these approaches is to simulate and digitalize complex nanostructures. Fo r example, we synthesized 34 functionalized gold nanoparticles (GNPs) and examined them against various bioassays for their nano-bio interactions . Then, we simulated their structures, calculated various nanodescriptors, and developed relevant predictive models. Based on the prediction of the re sulting models, we further synthesized seven novel GNPs with new structures and characterized them using the same bioassays. It showed that the develo ped models successfully predicted new GNPs with desired properties. Therefo re, with the virtual GNP library modeling and experimental validation, we p roved the feasibility to greatly reduce the experimental cost in nanos cience. In several recent studies, we advanced this approach by utilizing p opular data-driven techniques, such as imagine modeling. The development of the novel virtual GNP library and nanostructure digitalization approa ch paves the path for a new generation of nanomodeling and can be easi ly applied to designing biocompatible nanoparticles and nanomaterials with multiple desired bioactivities.
~Coffee/tea will be served pr ior to lecture.~
DTSTAMP:20240329T090820 DTSTART:20190305T160000 DTEND:20190305T170000 SEQUENCE:0 TRANSP:OPAQUE END:VEVENT END:VCALENDAR