Exploring Molecular Dynamics using para-Hydrogen Induced Polarization and Singlet NMR

使用对氢诱导极化和单线态 NMR 探索分子动力学

• 批准号: 1710046
• 负责人: Alexej Jerschow
• 金额: $ 46.5万
• 依托单位: New York University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-06-15 至 2021-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1710046&HistoricalAwards=false
• 关键词: Exploring; Molecular; Dynamics; using; para

In this project funded by the Chemical Measurements and Imaging program of the Chemistry Division, Professors Alexej Jerschow and James W. Canary and their groups at New York University are examining techniques for enhancing sensitivity and improving signal persistence in Nuclear Magnetic Resonance (NMR) spectroscopy, one of the most important tools for characterizing the structure and interactions of molecules. The anticipated enhancements will enable, for example, highly enhanced imaging techniques for medical applications, and more detailed studies of metabolite and enzyme activity. The NMR methodology, theoretical insights, and chemical syntheses developed in this project will be applicable in a broad range of fields, from biochemistry to physical chemistry and materials chemistry. Students participating in this work have the opportunity to be broadly educated while interacting with domestic and international collaborative teams. Furthermore, through collaborations with the Pratt Institute, Dr. Jerschow and his group participate in projects that apply NMR techniques in the field of art conservation, thus reaching and interacting with colleagues outside traditional science disciplines. The Canary group provides research mentoring through the Societe de Chemie Industrielle, and through hosting high school students, including participants from the Harlem Children Society and ACS Project SEED.The project probes nuclear spin singlet states as polarization storage states, and the elucidation of the fundamental mechanisms that lead to polarization loss. These singlet states allow, in principle, the storage of polarization over minutes and hours, but it is currently unknown what limits their lifetimes. Using both chemical and NMR spectroscopic strategies, including a chemical symmetry switch reaction, these states and mechanisms will be investigated systematically. Professor Jerschow also continues to collaborate with conservation scientists on the application of spectroscopic techniques, and Professor Canary is involved in outreach activities related to undergraduate professional and research mentoring.

在这个由化学部化学测量和成像项目资助的项目中，纽约大学的Alexej Jerschow教授和James W. Canary教授及其团队正在研究提高核磁共振（NMR）光谱学灵敏度和改善信号持久性的技术，核磁共振（NMR）光谱学是表征分子结构和相互作用的最重要工具之一。例如，预期的增强将使医疗应用的高度增强的成像技术以及对代谢物和酶活性的更详细的研究成为可能。该项目开发的核磁共振方法学、理论见解和化学合成将适用于从生物化学到物理化学和材料化学的广泛领域。参与这项工作的学生在与国内外合作团队互动的同时，有机会获得广泛的教育。此外，通过与普拉特研究所的合作，Jerschow博士和他的团队参与了将核磁共振技术应用于艺术保护领域的项目，从而与传统科学学科以外的同事接触和互动。Canary集团通过法国工业化学公司提供研究指导，并通过接待高中生，包括来自哈莱姆儿童协会和ACS项目SEED的参与者。本项目探讨了核自旋单重态作为极化存储态，并阐明了导致极化损失的基本机制。原则上，这些单重态允许在几分钟或几小时内储存极化，但目前尚不清楚是什么限制了它们的寿命。利用化学和核磁共振光谱策略，包括化学对称开关反应，这些状态和机制将被系统地研究。Jerschow教授还继续与保护科学家合作，研究光谱技术的应用，Canary教授则参与了与本科生专业和研究指导相关的推广活动。

项目成果

Effect of convection and B 1 inhomogeneity on singlet relaxation experiments

对流和 B 1 不均匀性对单线态弛豫实验的影响

• DOI: 10.1016/j.jmr.2017.09.005
• 发表时间: 2017
• 期刊: Journal of Magnetic Resonance
• 影响因子: 2.2
• 作者: Kharkov, B.;Duan, X.;Canary, J.W.;Jerschow, A.
• 通讯作者: Jerschow, A.

Aspects of NMR reciprocity and applications in highly conductive media

核磁共振互易性及其在高导电介质中的应用

• DOI: 10.1002/cmr.a.21466
• 发表时间: 2018
• 期刊: Concepts in Magnetic Resonance Part A
• 影响因子: 0.6
• 作者: Ilott, Andrew J.;Jerschow, Alexej
• 通讯作者: Jerschow, Alexej

Magnetization transfer in liposome and proteoliposome samples that mimic the protein and lipid composition of myelin

模拟髓鞘质蛋白质和脂质组成的脂质体和蛋白脂质体样品中的磁化转移

• DOI: 10.1002/nbm.4097
• 发表时间: 2019
• 期刊: NMR in Biomedicine
• 影响因子: 2.9
• 作者: Yang, Weiqi;Lee, Jae‐Seung;Leninger, Maureen;Windschuh, Johannes;Traaseth, Nathaniel J.;Jerschow, Alexej
• 通讯作者: Jerschow, Alexej

1 H‐decoupling and Isotopic Labeling for the Measurement of the Longitudinal Relaxation Time of Hyperpolarized 13 C‐Methylenes in Choline Analogs

1 H-解偶联和同位素标记用于测量胆碱类似物中超极化 13 C-亚甲基的纵向弛豫时间

• DOI: 10.1002/ijch.201900016
• 发表时间: 2019
• 期刊: Israel Journal of Chemistry
• 影响因子: 3.2
• 作者: Uppala, Sivaranjan;Gamliel, Ayelet;Harris, Talia;Sosna, Jacob;Gomori, J. Moshe;Jerschow, Alexej;Katz‐Brull, Rachel
• 通讯作者: Katz‐Brull, Rachel

Monitoring Molecular Transport across Colloidal Membranes

监测胶体膜上的分子运输

• DOI: 10.1021/acs.jpcb.8b01638
• 发表时间: 2018
• 期刊: The Journal of Physical Chemistry B
• 作者: Silletta, Emilia V.;Xu, Zhe;Youssef, Mena;Sacanna, Stefano;Jerschow, Alexej
• 通讯作者: Jerschow, Alexej