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

PIRE：美国-荷兰质谱联盟，致力于高级建模、生物结构和成像应用

• 批准号: 0730072
• 负责人: Mary Rodgers
• 金额: $ 250万
• 依托单位: Wayne State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-10-01 至 2015-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0730072&HistoricalAwards=false
• 关键词: PIRE; U.S.; Dutch; Mass; Spectrometry

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.

Rodgers 0730072该奖项为提交给2007年OISE国际研究和教育合作伙伴（PIRE）竞赛的提案提供支持。 它涉及美国方面的韦恩州立大学、佛罗里达大学、佛罗里达州州立大学/国家高场磁实验室、加州大学伯克利分校、犹他州大学、格鲁吉亚大学、科罗拉多大学健康科学中心、波士顿大学医学院、以及凯斯西方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”和FOM原子和分子物理研究所（AMOLF）。合作的正式实体将是美国-荷兰质谱联盟。智力优势。 该联盟的美国参与者代表了一个多元化的质谱学家群体，他们的研究兴趣涵盖了广泛的应用和质谱方法和技术。 荷兰的研究设施包括美国没有的仪器和网络基础设施，允许在最低限度的现场监督下远程操作仪器。这是一个独特的合作，因为它围绕荷兰设施FELIX，一个用于红外实验的自由电子激光器。 有10名美国参与者，每个人都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的确切组成异构体的结构的能力，探测和关联生物杂环的互变异构结构和功能行为，表征溶剂与稳定氨基酸和相关生物分子的盐桥/开关离子结构的内在性质，探测生物分子中的有机和金属阳离子-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断裂模式的机制，从而促进蛋白质组学在蛋白质结构测定中的应用，改进质谱成像技术，使生物组织的解剖学和功能图相互关联，和先进的FT-ICR MS分析大型生物系统。更广泛的影响。 拟议工作固有的跨学科和多元文化性质将促进对科学家的培训，使其能够应对化学和生物科学面临的挑战。 140名参与的研究生和本科生以及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，离子化学和碎裂机制方面的实际问题方面的经验，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化的进步。 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将每年在荷兰设施支持6名本科生。 该REU将包括来自韦恩州立大学的少数民族学生，该大学是非历史黑人大学中非洲裔美国人人数最多的大学，以及其他参与机构的学生。 美国参与者将参加FOM研究所的研讨会和培训计划，了解荷兰研究以及整个欧洲的最新发展。

项目成果

Structural and Energetic Effects of O2′-Ribose Methylation of Protonated Pyrimidine Nucleosides

质子化嘧啶核苷 O2α-核糖甲基化的结构和能量效应

• DOI: 10.1007/s13361-019-02300-9
• 发表时间: 2019
• 期刊: Journal of The American Society for Mass Spectrometry
• 影响因子: 3.2
• 作者: He, C. C.;Hamlow, L. A.;Zhu, Y.;Nei, Y.-w.;Fan, L.;McNary, C. P.;Maître, P.;Steinmetz, V.;Schindler, B.;Compagnon, I.
• 通讯作者: Compagnon, I.

Modified Quadrupole Ion Trap Mass Spectrometer for Infrared Ion Spectroscopy: Application to Protonated Thiated Uridines

• DOI: 10.1007/s13361-018-2047-2
• 发表时间: 2018-11-01
• 期刊: JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
• 影响因子: 3.2
• 作者: Hamlow, L. A.;Zhu, Y.;Rodgers, M. T.
• 通讯作者: Rodgers, M. T.

Structures and Relative Glycosidic Bond Stabilities of Protonated 2′-Fluoro-Substituted Purine Nucleosides

• DOI: 10.1007/s13361-019-02222-6
• 发表时间: 2019-08-01
• 期刊: JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
• 影响因子: 3.2
• 作者: Devereaux, Zachary J.;He, C. C.;Rodgers, M. T.
• 通讯作者: Rodgers, M. T.

Gas-phase structures of protonated arabino nucleosides

质子化阿拉伯核苷的气相结构

• DOI: 10.1016/j.ijms.2019.01.005
• 发表时间: 2019
• 期刊: International Journal of Mass Spectrometry
• 影响因子: 1.8
• 作者: Hamlow, L.A.;He, C.C.;Devereaux, Zachary J.;Roy, H.A.;Cunningham, N.A.;Soley, Erik O.;Berden, G.;Oomens, J.;Rodgers, M.T.
• 通讯作者: Rodgers, M.T.