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:
Hosted By Lu Wang
Tuesday March 5, 2019
11:00am, CCB Auditorium
“Digital Nano: Rational Design of Biocompatible Nanomaterials by Dig italizing Nanostructures”
The use of nanomaterials has grown substant ially over the past decade. Traditional discovery of biocompatible nan oparticles is expensive and time-consuming. Computational modeling methods thus are highly demanded in designing nanomaterials. However, none of the e xisting computational approaches are applicable to nanomaterials due to the limitations of the current modeling approaches and the complexities o f nanomaterial structures. Here, we report several novel computational approaches that build large virtual nanoparticle libraries to investigate their biological properties and guide the experimental studies. The ke y of these approaches is to simulate and digitalize complex nanostructures. For example, we synthesized 34 functionalized gold nanoparticles (GNP s) and examined them against various bioassays for their nano-bio interacti ons. Then, we simulated their structures, calculated various nanodescriptor s, and developed relevant predictive models. Based on the prediction of the resulting models, we further synthesized seven novel GNPs with new structu res and characterized them using the same bioassays. It showed that the dev eloped models successfully predicted new GNPs with desired properties. Ther efore, with the virtual GNP library modeling and experimental validation, w e proved the feasibility to greatly reduce the experimental cost in na noscience. In several recent studies, we advanced this approach by utilizin g popular data-driven techniques, such as imagine modeling. The development of the novel virtual GNP library and nanostructure digitalization app roach paves the path for a new generation of nanomodeling and can be e asily applied to designing biocompatible nanoparticles and nanomaterials wi th multiple desired bioactivities.
~Coffee/tea will be served prior to lecture.~
DTSTAMP:20240329T051113 DTSTART:20190305T160000 DTEND:20190305T170000 SEQUENCE:0 TRANSP:OPAQUE END:VEVENT END:VCALENDAR