Mass Spectrometry Methods for the Comprehensive Analysis of Emerging Functional Materials

在这个由化学部化学测量和成像计划资助的项目中，阿克伦大学的Chrys Wesperotis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”）的先进材料的表征新方法。 这些方法是基于质谱法，一个强大的工具，用于表征的组成和结构。 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灵敏的分析，使得能够有意义地理解分子结构和有用性质之间的关系，从而促进具有所需宏观特征的更好的商业上可行的产品的设计。这项研究为本科生和研究生提供了机会（包括来自代表性不足群体的学生）从事现代化学分析和材料研究，这两个领域的就业机会不断增加，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/通过在线质谱仪对交联聚合物和高分子量材料（如水凝胶和橡胶共聚物）的微观结构进行表征。采用相对较低的温度，以优先打破弱键或探测空间拥挤的网站，产生低聚物物种，提供分子连接性的细节，以及洞察交联剂和聚合物前体。另一个目的涉及开发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2 nm内的完整分子。了解表面成分、检测和表征不需要的缺陷或故意的表面改性对于确定材料至关重要？由于表面是与环境接触的第一个点，因此它对给定应用的适用性。Wesperiotis集团使用多维方法（结合质量分析，串联质谱法和极性和/或形状的正交分离），以实现对广泛用于工业，生物医学和技术应用的合成大分子化合物的组成，结构和架构的灵敏和精确分析。 该奖项反映了NSF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.