PIRE: A U.S. - Dutch Mass Spectrometry Consortium for Advanced Modeling and Biological Structure and Imaging Applications

该奖项为提交给2007年OISE国际研究与教育合作伙伴（PIRE）竞赛的提案提供支持。它涉及美国方面的合作，包括韦恩州立大学、佛罗里达大学、佛罗里达州立大学/国家高磁场实验室、加州大学伯克利分校、犹他大学、佐治亚大学、科罗拉多大学健康科学中心、波士顿大学医学院、凯斯西大学与荷兰物质基础研究基金会（FOM）——FOM等离子体物理研究所“Rijnhuizen”，以及FOM原子与分子物理研究所（AMOLF）。此次合作的正式实体将是美国-荷兰质谱联盟。知识价值。该联盟的美国参与者代表了一个不同的质谱学家群体，他们的研究兴趣跨越了广泛的应用和质谱方法和技术。荷兰的研究设施包括在美国无法使用的仪器和网络基础设施，允许在最少的现场监督下远程操作仪器。这是一次独特的合作，因为它以荷兰的费利克斯设备为中心，这是一种用于红外实验的自由电子激光器。有10名美国参与者，每个人将在他或她感兴趣的领域与荷兰仪器的外国用户合作。美国研究人员的项目将提高区分碳水化合物精确组成异构体结构的能力，探测和关联生物杂环的互变异构体结构和功能行为，表征稳定氨基酸和相关生物分子的盐桥/开关离子结构的溶剂和内在性质，探测生物分子中有机和金属阳离子- π相互作用及其对结构和稳定性的影响。探测和关联蛋白质构象和电荷状态，深入了解电子捕获解离和碎片模式的机制，从而促进蛋白质组学在蛋白质结构测定中的应用，推进质谱成像技术，使生物组织的解剖和功能图相互关联，并推进FT-ICR MS对大型生物系统的分析。更广泛的影响。拟议工作固有的跨学科和多文化性质将促进培养具有解决化学和生物科学面临的挑战的理想条件的科学家。140名参与的研究生、本科生和博士后将获得最先进的质谱硬件和技术方面的专业知识，在生物学、离子化学和碎片机制等实际问题上的经验，接触到结构确定和离子-离子相互作用建模的理论方法，并使他们受益于网络国家的进步。拟议工作的协作性质将使参与者在科学和文化层面上接触到更广泛的观点。拟议中的美国/荷兰REU每年将在荷兰的设施中支持六名本科生。这个REU将包括来自韦恩州立大学（Wayne State University）和其他参与机构的少数族裔学生。韦恩州立大学是非历史上黑人大学中非洲裔美国人最多的大学。美国参与者将参加FOM研究所的研讨会和培训项目，了解荷兰以及整个欧洲的最新研究进展。

Rodgers0730072This award provides support for a proposal submitted to the 2007 OISE Partnerships for International Research and Education (PIRE) competition. It involves a collaboration on the US side between Wayne State University, the University of Florida, Florida State University/National High Field Magnetic Laboratory, the University of California at Berkeley, the University of Utah, the University of Georgia, the University of Colorado Health Science Center, Boston University School of Medicine, and Case Western University with the Dutch Foundation for the Fundamental Research on Matter (FOM) -- the FOM institute for Plasma Physics "Rijnhuizen," and the FOM Institute for Atomic and Molecular Physics (AMOLF). The formal entity for the collaboration will be the US-Dutch Mass Spectrometry Consortium. Intellectual Merit. The US participants of the consortium represent a diverse group of mass spectrometrists whose research interests span a broad range of applications and mass spectrometry approaches and techniques. The Dutch research facilities include instrumentation that is not available in the US and cyberinfrastructure that permits remote operation of the instrumentation with minimal on-site supervision. This is a unique collaboration in that it centers around the Dutch facility, FELIX, a free electron laser for infrared experiments. There are ten US participants, and each will collaborate with a foreign user at the Dutch instrument in his or her area of interest. The US researchers' projects will lead to improved abilities to differentiate structures of exact compositional isomers of carbohydrates, probe and correlate tautomeric structures and functional behavior of biological heterocycles, characterize solvent vs. intrinsic properties that stabilize salt-bridge/switterionic structure of amino acids and related biological molecules, probe organic and metal cation-pi interactions in biological molecules and their effects on structure and stability, probe and correlate protein conformation and charge state, lend insight into the mechanism of electron capture dissociation and fragmentation patterns thereby facilitating advances I proteomics applications for protein structure determination, advance mass spectrometric imaging techniques allowing correlation of anatomical and functional maps of biological tissues, and advance FT-ICR MS analyses of large biological systems.Broader Impacts. The inherently interdisciplinary and multicultural nature of the proposed work will promote training of scientists ideally equipped to address the challenges facing the chemical and biological sciences. The 140 participating graduate and undergraduate students and postdoctoral associates will gain expertise in state-of-the-art mass spectrometry hardware and techniques, experience in practical issues in biology, ion chemistry, and fragmentation mechanisms, exposure to theoretical approaches to structure determination and modeling of ion-ion interactions, and allow them to benefit from advances in cybernation. The collaborative nature of the proposed work will expose participants to a broader range of perspectives both at a scientific and cultural level. The proposed US/Netherlands REU will support six undergraduate students each year at the Dutch facilities. This REU will include minority students from Wayne State University, which has the largest African-American population of any non-historically black university, and from the other participating institutions. US participants will participate in seminar and training programs at the FOM institutes, gaining exposure to current developments in Dutch research as well as throughout Europe.