Excellence in Research (EiR): Radical Scavenging Interactions of Carbon Nanodots and Smart Polymer-Carbon Nanodots Systems

碳纳米点是一种新型无毒纳米材料。自由基是一种高度不稳定的活性分子，在生物系统和其他环境中，它们具有清除自由基的潜力。由于自由基与炎症有关，这可能导致潜在的严重病理状况，因此更好地了解碳纳米点与生物系统之间的界面反应机制是将这些纳米材料应用于应用的关键一步。本项目将进一步加深对碳纳米点表面化学性质的认识，以及环境条件对生物系统中碳纳米点界面反应的影响。此外，本研究的自由基生命周期数据将有助于指导纳米材料在生物医学工程应用中的实验和计算建模。该研究结果的更广泛影响包括：1)开发用于生物医学和潜在环境应用的定制纳米级材料；2)在整个项目和课程修订过程中对代表性不足的STEM学生进行实践培训，这可以在其他STEM导向的机构中扩大规模；3)通过pi网络对代表性不足的教育社区的K-12科学和工程教育产生影响。本研究的目的是为了更好地了解碳纳米点的自由基清除能力如何受到周围生物系统和生化条件的影响。建议的工作范围将主要限于描述界面相互作用所涉及的机制。这将通过研究碳纳米点上的官能团与生物/生化分子之间的反应来完成。本研究将利用具有不同官能团的碳纳米点、聚合物-蛋白偶联物和杂合物以及自旋捕获蛋白自由基，从三个方面进行研究：1)碳纳米点、缀合物和杂合物以及自旋捕获蛋白自由基的合成和制备；2)制备的分子在生物系统中的抗氧化活性评估；3)基于经验数据的量热技术计算模型。这项研究的智力价值在于促进我们对以下领域的理解：1)纳米材料，特别是碳纳米点与生物系统之间的界面和分子间反应化学和自由基反应的基础；2)通过建立计算模型来建立自由基生命周期机制，这也可以应用于其他类似的工程纳米材料的研究；3)免疫自旋陷阱方法与分子和蛋白质自由基相关的反应机制，克服了目前许多自由基研究中存在的技术挑战。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

Carbon nanodots are a type of newly engineered non-toxic nanomaterials. They have scavenging potential of free radicals, which are highly unstable and reactive molecules, in biological systems and other environments. Because free radicals are associated with inflammation, which can lead to potentially serious pathological conditions, a better understanding of the interfacial reaction mechanisms between carbon nanodots and biological systems is a critical step toward using these nanomaterials in applications. This project will enhance the understanding of the surface chemistry of carbon nanodots and the roles of the surrounding conditions on carbon nanodots interfacial reactions in biological systems. Additionally, the data on free radical life cycle from this study will help guide experiments and computational modeling in other investigations of nanomaterials for biomedical engineering applications. Broader impacts of the findings from the proposed study include: 1) Development of customized nanoscale materials for biomedical and, potentially, environmental applications, 2) Hands-on training of under-represented STEM students throughout the projects and curriculum revision that can be scaled up in other STEM oriented institutions, and 3) Impact on the K-12 science and engineering education in under-represented educational communities through the PIs network.The goal of this study is to better understand how carbon nanodot's free radical scavenging potential is influenced by surrounding biological systems and biochemical conditions. The scope of the proposed work will be mainly limited to delineating the mechanisms involved in interfacial interactions. This will be done by investigating reactions between functional groups on carbon nanodots and biological/biochemical molecules. This study will be carried out by using carbon nanodots with various functional groups, polymer-protein conjugates and hybrids, and spin-trap protein radicals with three thrusts: 1) Synthesis and preparation of carbon nanodots, conjugates and hybrids, and spin-trap protein radicals, 2) Evaluation of anti-oxidative activities of the prepared molecules in biological system, and 3) Computational modeling of calorimetric techniques with empirical data. The intellectual merit of this study is to advance our understanding in the following areas: 1) Interfacial and intermolecular reaction chemistry and fundamentals of free radical reactions between nanomaterials, especially carbon nanodots and biological systems, 2) Free radical life cycle mechanisms by building computational models, which can also be applied to other similar engineered nanomaterial studies, and 3) Reaction mechanisms associated with molecules and protein radicals from immune-spin trap methods that overcome technical challenges currently present in many free radical studies.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.