Mass Spectrometry Methods for the Comprehensive Analysis of Emerging Functional Materials

在这个由化学部门化学测量和成像项目资助的项目中，阿克伦大学的Chrys wesdemotis教授和他的团队正在开发用于机械、电气、生物医学、光学或环境应用（如植入物、涂层、粘合剂、膜和“智能表面”）的先进材料表征的新方法。这些方法是基于质谱法，这是表征成分和结构的有力工具。它们允许对包含这些材料的合成大分子化合物的分子结构进行准确和敏感的分析，从而对分子结构与有用性质之间的关系进行有意义的理解，从而促进设计具有所需宏观特征的更好的、商业上可行的产品。这项研究为本科生和研究生（包括来自代表性不足群体的学生）提供了从事现代化学分析和材料研究的机会，这两个领域的就业机会越来越多，对我们国家的技术进步至关重要。本研究的一个主要目标是将温和的热解吸/降解与在线质谱结合起来，用于交联聚合物和高分子量材料（如水凝胶和橡胶共聚物）的微观结构表征。相对较低的温度可以优先破坏弱键或探测空间拥挤的位点，从而产生低聚物，提供分子连接细节以及对交联剂和聚合物前体的深入了解。进一步的目标是发展表面层基质辅助激光解吸电离质谱成像，用于检测合成材料表面顶部2nm内的完整分子。了解表面成分、检测和表征不需要的缺陷或有意的表面修饰是决定材料的必要条件。S对给定应用的适用性，因为表面是与环境的第一个接触点。Wesdemiotis团队使用多维方法（结合质量分析、串联质谱分析和极性和/或形状正交分离）对合成大分子化合物的组成、结构和结构进行敏感和精确的分析，这些合成大分子化合物广泛应用于工业、生物医学和技术应用。它们专门针对那些由于其复杂性、尺寸或拓扑结构而难以用其他方法表征的材料。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。

In this project, funded by the Chemical Measurement and Imaging Program of the Chemistry Division, Professor Chrys Wesdemiotis and his group at the University of Akron are developing new methods for the characterization of advanced materials used in mechanical, electrical, biomedical, optical, or environmental applications (such as implants, coatings, adhesives, membranes, and "smart surfaces"). The methods are based on mass spectrometry, a powerful tool for characterizing the compositions and structures. They allow accurate and sensitive analysis of the molecular structures of the synthetic macromolecular compounds comprising these materials, enabling meaningful understanding of the relationships between molecular structure and useful properties, thus facilitating the design of better, commercially viable products with desired macroscopic features. The research provides opportunities for undergraduate and graduate students (including students from underrepresented groups) to engage in modern chemical analysis and materials research, two areas with growing employment opportunities that are vital for our nation's technological advancement.A major objective of this research is to integrate mild thermal desorption/degradation with online mass spectrometry for the microstructural characterization of crosslinked polymers and materials with very high molecular weight, such as hydrogels and rubber copolymers. Relatively low temperatures are employed in order to preferentially break weak bonds or to probe sterically crowded sites, yielding oligomeric species that provide molecular connectivity detail as well as insight into crosslinkers and polymer precursors. A further objective concerns the development of surface-layer matrix assisted laser desorption ionization mass spectrometric imaging for the detection of intact molecules within the top 2 nm of synthetic material surfaces. Understanding of the surface composition and detection and characterization of unwanted defects or deliberate surface modifications is imperative for deciding a material?s suitability for a given application, since the surface is the first point of contact with the environment. The Wesdemiotis group uses multidimensional approaches (combining mass analysis, tandem mass spectrometry, and orthogonal separation by polarity and/or shape) to enable sensitive and precise analysis of the composition, structure, and architecture of synthetic macromolecular compounds that are widely employed in industrial, biomedical, and technological applications. They specifically target materials that are challenging to characterize by other methods because of their complexity, size, or topology.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.