Upgrade of a 500 MHz NMR Spectrometer for Applications in Biomedical Research

升级 500 MHz NMR 波谱仪，用于生物医学研究应用

• 批准号: 8246211
• 负责人: THOMAS R. HOYE
• 金额: $ 37.8万
• 依托单位: UNIVERSITY OF MINNESOTA
• 依托单位国家: 美国
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-04-21 至 2014-04-20
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8246211
• 关键词: Antibiotics; Biomedical Research; Carbohydrates; Chemistry; Contrast Media; Data; Data Quality; Dendrimers; Development; Drug Delivery Systems; Electrolytes; Funding; Gene Delivery; Housing; Image; Intervention; Laboratories; Methods; Minnesota; Minor; Monitor; NMR Spectroscopy; Nuclear Magnetic Resonance; Pharmacologic Substance; Polymers; Research; Research Personnel; Sampling; Structure; Study models; Tissues; Universities; Vaccines; antitumor agent; base; clinically relevant; design; enzyme pathway; instrument; macromolecule; metalloenzyme; novel; research study; sensor; small molecule; theranostics; tool; two-dimensional

DESCRIPTION (provided by applicant): Nuclear magnetic resonance (NMR) spectroscopy is the most valuable spectroscopic tool for those who make and/or structurally characterize biomedically relevant organic, organometallic, and polymeric compounds. Access to high quality NMR data is critical to research progress in each of these fields. The modern capabilities of the requested upgrade to our current 500 MHz NMR spectrometer will greatly enhance progress in a myriad of biomedically-motivated projects currently under study at Minnesota. Specifically, the types of projects that will benefit from this instrument include the synthesis of antitumor agents, antibiotics, vaccines, and other bioactive compounds; creation of new sensors for monitoring levels of clinically relevant electrolytes; exploration of important enzyme pathways and functions; bioinorganic studies of models of metalloenzymes; development of new organometallic-based methods applicable to the (asymmetric) synthesis of pharmaceutical agents; determination of structures of new biologically active natural and unnatural products; design of new contrast agents for imaging; the development of new polymer-based vehicles and strategies for both drug and gene delivery; studies of polymeric artificial tissues; and exploratio of carbohydrate-based dendrimers and polymers for use as novel 'theranostic' agents. More specifically, we request funds to upgrade our existing 500 MHz NMR spectrometer with a new console, state-of-the-art probe and automatic sample changer. This spectrometer will be housed in the NMR Laboratory in the Department of Chemistry, where it will be used to perform one- and two-dimensional multinuclear experiments on small and large molecules being synthesized and studied for biomedical research purposes here at the University of Minnesota. This facility serves the needs of nearly 300 researchers, approximately half of whom are in the research groups of the Major and Minor Users in this application. We expect our large user base to benefit tremendously from the versatility afforded by the requested upgrade. Given the combined features of the new probe, which includes automatic tuning and matching capabilities, and autosampler, we will be able to generate, with minimal operator intervention, high quality spectral data for any sequence of experiment(s) with any sample type (small molecules or macromolecules; organic or inorganic; 1H, 13C, 19F, 31P, 2H, 15N, 17O, 11B, 51V, 119Sn, 59Co, or 29Si). This is very powerful. These capabilities far exceed what we can do with our current instrument. With this upgrade we will obtain higher quality data and more data. As a direct consequence, both the pace of discovery and depth of understanding will be advanced.

描述（由申请人提供）：核磁共振（NMR）光谱是对制造和/或结构表征生物医学相关的有机，有机金属和聚合物化合物的人最有价值的光谱工具。访问高质量的NMR数据对于研究每个领域的进度至关重要。要求升级到当前500 MHz NMR光谱仪的现代能力将大大提高明尼苏达州目前正在研究的无数生物医学动机项目中的进步。具体而言，将从本工具中受益的项目类型包括抗肿瘤代理的合成， 抗生素，疫苗和其他生物活性化合物；创建新的传感器，以监视临床相关电解质的水平；探索重要的酶途径和功能；金属酶模型的生物无机研究；开发适用于药物剂（不对称）合成的新基于有机金属的方法；确定新的具有生物活性的天然和不自然产品的结构；设计成像的新对比剂的设计；开发基于聚合物的新车辆和药物和基因输送的策略；聚合人造组织的研究；以及基于碳水化合物的树枝状聚合物和聚合物的探索物，用作新型的“疗法”剂。 更具体地说，我们要求资金使用新的控制台，最先进的探针和自动样本更换器来升级现有的500 MHz NMR光谱仪。该光谱仪将安置在化学系的NMR实验室中，在那里它将用于在明尼苏达州大学合成和研究的小分子和研究的小分子进行生物医学研究。该设施满足了近300名研究人员的需求，其中大约一半是该应用程序中主要用户和次要用户的研究小组。我们希望我们的大型用户群将从要求的升级提供的多功能性中受益匪浅。鉴于新探针的组合特征，包括自动调整和匹配功能以及自动采样器，我们将能够通过最少的操作员干预来生成任何样品类型的任何实验序列的高质量频谱数据（小）分子或大分子；有机或无机分子；这是非常强大的。这些功能远远超过了我们目前的工具所能做的。通过此升级，我们将获得更高质量的数据和更多数据。直接结果，发现的步伐和理解深度都将得到提高。

项目成果

Mechanistic Studies of ε-Caprolactone Polymerization by (salen)AlOR Complexes and a Predictive Model for Cyclic Ester Polymerizations.

• DOI: 10.1021/acscatal.5b02607
• 发表时间: 2016-02-05
• 期刊: ACS catalysis
• 影响因子: 12.9
• 作者: Marlier EE;Macaranas JA;Marell DJ;Dunbar CR;Johnson MA;DePorre Y;Miranda MO;Neisen BD;Cramer CJ;Hillmyer MA;Tolman WB
• 通讯作者: Tolman WB

Impact of Macromonomer Molar Mass and Feed Composition on Branch Distributions in Model Graft Copolymerizations.

• DOI: 10.1021/acsmacrolett.1c00640
• 发表时间: 2021-12
• 期刊: ACS macro letters
• 影响因子: 5.8
• 作者: Aristotelis Zografos;Nathaniel A. Lynd;F. Bates;M. Hillmyer

Effect of nanoparticle loading and magnetic field application on the thermodynamic, optical, and rheological behavior of thermoresponsive polymer solutions

• DOI: 10.1002/vnl.21968
• 发表时间: 2022-12
• 期刊: Journal of Vinyl and Additive Technology
• 影响因子: 2.7
• 作者: C. A. Neal;Grace Kresge;M. Quan;V. León;Nondumiso O. Chibambo;M. Calabrese

Poly(isoprenecarboxylates) from Glucose via Anhydromevalonolactone.

• DOI: 10.1021/acsmacrolett.6b00560
• 发表时间: 2016-10-18
• 期刊: ACS MACRO LETTERS
• 影响因子: 7.015
• 作者: Ball-Jones, Nicolas R.;Fahnhorst, Grant W.;Hoye, Thomas R.
• 通讯作者: Hoye, Thomas R.

Role of chain architecture in the solution phase assembly and thermoreversibility of aqueous PNIPAM/silyl methacrylate copolymers.

• DOI: 10.1039/d2py00254j
• 发表时间: 2022-07-07
• 期刊: Polymer chemistry
• 影响因子: 4.6
• 作者: Linn JD;Liberman L;Neal CAP;Calabrese MA
• 通讯作者: Calabrese MA