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:
Hosted By Lu Wang
Tuesday March 5, 2019
11:00am, CCB Auditorium
“Digital Nano: Rational De sign of Biocompatible Nanomaterials by Digitalizing Nanostructures”
The use of nanomaterials has grown substantially over the past decade. Traditional discovery of biocompatible nanoparticles is expensive and time-consuming. Computational modeling methods thus are highly demanded in designing nanomaterials. However, none of the existing computational approa ches are applicable to nanomaterials due to the limitations of the current modeling approaches and the complexities of nanomaterial structures. H ere, we report several novel computational approaches that build large virtual nanoparticle libraries to investigate their biological proper ties and guide the experimental studies. The key of these approaches is to simulate and digitalize complex nanostructures. For example, we synthesized 34 functionalized gold nanoparticles (GNPs) and examined them against various bioassays for their nano-bio interactions. Then, we simulated thei r structures, calculated various nanodescriptors, and developed relevant pr edictive models. Based on the prediction of the resulting models, we furthe r synthesized seven novel GNPs with new structures and characterized them u sing the same bioassays. It showed that the developed models successfully p redicted new GNPs with desired properties. Therefore, with the virtual GNP library modeling and experimental validation, we proved the feasibility to greatly reduce the experimental cost in nanoscience. In several recent studies, we advanced this approach by utilizing popular data-driven techni ques, such as imagine modeling. The development of the novel virtual G NP library and nanostructure digitalization approach paves the path for a n ew generation of nanomodeling and can be easily applied to designing b iocompatible nanoparticles and nanomaterials with multiple desired bioactiv ities.
~Coffee/tea will be served prior to lecture.~
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:20240329T054138 DTSTART:20190305T160000 DTEND:20190305T170000 SEQUENCE:0 TRANSP:OPAQUE END:VEVENT END:VCALENDAR