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化学信息学方法在纳米材料毒性评估中的适应性与应用

Adaptation and Application of Cheminformatics Methods in Toxicity Assessment of Nanomaterials
课程网址: http://videolectures.net/preglov_rasulev_cheminformatics_methods/  
主讲教师: Bakhtiyor Rasulev
开课单位: 北达科他州立大学
开课时间: 2017-11-17
课程语种: 英语
中文简介:
在过去的二十年里,材料科学的各个方面都在进行突破性的研究,包括纳米技术。具有前所未有的功能性和性能的新材料正在开发和表征。在这方面,在大规模生产之前有效估计新材料的性质和生物活性的方法的需求正在以指数方式增加。由于纳米材料从化学角度来看是复杂的实体,因此对这些材料的研究需要跨学科的方法,涉及从物理和化学到生物学,信息学和医学的多个方面。在这里,我们展示了计算和化学信息学方法在纳米材料性质预测(包括毒性)中的适应和应用,以进行进一步的风险评估,以生产安全的设计材料。所讨论的纳米材料包括金属氧化物、官能化富勒烯和碳纳米管。
课程简介: For the last two decades, breakthrough research has been going on in all aspects of materials science, including nanotechnology. New materials of unprecedented functionality and performance are being developed and characterized. In this regard, the need in approaches that effectively estimate the properties and biological activity of new materials in advance of mass production is increases in an exponential way. Since nanomaterials are complex entities from a chemical point of view and the study of these kind of materials requires an interdisciplinary approach, involving multiple aspects ranging from physics and chemistry to biology, informatics and medicine. Here we show the adaptation and application of computational and cheminformatics methods in nanomaterials properties prediction, including toxicity, for further risk assessment, to produce safe-by-design materials. The discussed nanomaterials include metal oxides, functionalized fullerenes and carbon nanotubes.
关 键 词: 纳米技术; 材料科学; 纳米材料
课程来源: 视频讲座网
数据采集: 2020-11-19:cjy
阅读次数: 26