Collaborative Proposal: EiR: Understanding Interactions of Gold and Silver Nanoparticles with Proteins to Achieve Optimum Surface Plasmon Effect

合作提案：EiR：了解金银纳米粒子与蛋白质的相互作用以实现最佳表面等离子体效应

• 批准号: 1831548
• 负责人: Xiuping Tao
• 金额: $ 21.38万
• 依托单位: Winston-Salem State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-09-15 至 2023-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1831548&HistoricalAwards=false
• 关键词: Collaborative; Proposal; EiR; Understanding; Interactions

A variety of diseases are identified by protein markers. Nano-sized particles using metals such as gold and silver possess unique electronic and optical properties, which can be significantly altered when effected by an external cue, such as the interaction with a specific protein. Developing a fundamental understanding of nanoparticle-protein interactions and their associated optical properties is critical for the development of novel detection devices with high sensitivity and selectivity for detection of diseases, such as cancer and Alzheimer's. The knowledge obtained from this proposed research on nanoparticle-protein interactions will further assist in the development of novel technologies for the biomedical, materials, and energy sectors. This project connects researchers and resources at Howard University and Winston-Salem State University to integrate education and research training for students at the undergraduate and graduate levels. The project will provide rigorous training opportunities for the next generation of African-American and other students from underrepresented groups pursuing careers in Chemistry, Chemical Engineering, Physics and Mechanical Engineering. Results from the current and developing research on the nanoparticle-protein interactions, bio-simulations and biosensor design will be incorporated into workshops and classes, to expand the interests and experience of under-represented students in the STEM fields. This will promote successful academic and career paths.Understanding the fundamental plasmonic response of gold and silver nanoparticles interacting with proteins is critical for molecular detection. This includes understanding the electronic properties and electromagnetic spectrum of discrete uniform gold and silver nanoparticles. This also includes understanding nanoparticle interactions with protein markers in a biochemical environment. The interactions of interest include physical and chemical coordination of the nanoparticles to the protein and the electromagnetic and plasmonic response from protein-nanoparticle interactions. The project will be achieved by coupling experimental spectroscopy with computational simulations at multiple scales (quantum, atomistic, molecular and continuum). The proposed study aims to elucidate different factors, including proteins' packing structure based on nanoparticles varying in type, shape, and means of surface functionalization. These fundamental nanoparticle-protein interactions will determine the plasmonic effect on electromagnetic and plasmonic signals. Simulations at the microscopic and macroscopic levels will provide knowledge on both the physical interactions and chemical reactions of nanoparticles and proteins, which are crucial for correlating nanoparticles' optic signals following environmental responses. Moreover, chemically modified nanoparticles' electronic structure, optical spectra, and magnetic properties will be studied using local surface plasmon resonance spectrum or surface enhanced Raman spectroscopy. These experimental results will be validated with quantum simulations. Subsequently, theoretical studies will more clearly explain spectrum signals and lead to improved experimental design of the target sensor. The multidisciplinary research team consists of experts in quantum and atomistic simulations, bio-nano interface, protein folding, experimental optical sensor design, and nanoparticle synthesis.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

通过蛋白质标记鉴定出多种疾病。纳米大小的颗粒使用金属（例如金和银）具有独特的电子和光学特性，当通过外部提示（例如与特定蛋白质的相互作用）时，它们可以显着改变。对纳米颗粒 - 蛋白质相互作用及其相关的光学特性发展基本理解对于开发具有高灵敏度和选择性的新型检测设备，可用于检测疾病，例如癌症和阿尔茨海默氏症。从这项关于纳米颗粒 - 蛋白质相互作用的研究中获得的知识将进一步帮助开发生物医学，材料和能量领域的新技术。该项目将霍华德大学和温斯顿·塞勒姆州立大学的研究人员和资源联系起来，以整合本科和研究生一级的学生的教育和研究培训。该项目将为下一代非裔美国人和来自代表性不足的团体的其他学生提供严格的培训机会，从事化学，化学工程，物理和机械工程领域的职业。当前和正在开发的有关纳米颗粒 - 蛋白质相互作用，生物模拟和生物传感器设计的研究的结果将纳入研讨会和课程中，以扩大STEM领域中代表性不足的学生的兴趣和经验。这将促进成功的学术和职业道路。理解与蛋白质相互作用的黄金和银纳米颗粒的基本等离子反应对于分子检测至关重要。这包括了解离散均匀金和银纳米颗粒的电子特性和电磁光谱。这还包括了解生化环境中纳米颗粒与蛋白质标记的相互作用。感兴趣的相互作用包括纳米颗粒对蛋白质的物理和化学协调以及来自蛋白质纳米颗粒相互作用的电磁和等离子反应。该项目将通过在多个尺度（量子，原子，分子和连续体）的计算模拟将实验光谱耦合来实现。拟议的研究旨在阐明不同因素，包括基于纳米颗粒的填料结构，其类型，形状和表面功能的方式变化。这些基本的纳米颗粒 - 蛋白质相互作用将确定等离子对电磁和等离子信号的影响。微观和宏观水平的模拟将提供有关纳米颗粒和蛋白质的物理相互作用和化学反应的知识，这对于在环境反应后将纳米颗粒的视信信号相关联至关重要。此外，将使用局部表面等离子体共振光谱或表面增强的拉曼光谱研究来研究化学修饰的纳米颗粒的电子结构，光谱和磁性。这些实验结果将通过量子模拟验证。随后，理论研究将更清楚地解释频谱信号，并改善目标传感器的实验设计。多学科研究团队由量子和原子模拟专家组成，生物 - 纳米界面，蛋白质折叠，实验性光学传感器设计和纳米颗粒合成。这项奖项反映了NSF的法定任务，并被认为是通过基金会的智力优点和广泛的影响来评估的，这是值得通过评估的支持。

项目成果

Protein Corona on Gold Nanoparticles Studied with Coarse-Grained Simulations

• DOI: 10.1021/acs.langmuir.0c02767
• 发表时间: 2020-11-10
• 期刊: LANGMUIR
• 影响因子: 3.9
• 作者: Sajib, Md Symon Jahan;Sarker, Pranab;Wei, Tao
• 通讯作者: Wei, Tao