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可逆交换信号放大中反应平衡的密度泛函理论研究

Density Functional Theory Study of Reaction Equilibria in Signal Amplification by Reversible Exchange.

作者信息

Lin Kailai, TomHon Patrick, Lehmkuhl Sören, Laasner Raul, Theis Thomas, Blum Volker

机构信息

Department of Chemistry, Duke University, Durham, NC 27708, USA.

Department of Chemistry, North Carolina State University, Raleigh, NC 27606, USA.

出版信息

Chemphyschem. 2021 Oct 5;22(19):1937-1938. doi: 10.1002/cphc.202100678.

DOI:10.1002/cphc.202100678
PMID:34617650
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8725239/
Abstract

The front cover artwork is provided by the groups of Prof. Thomas Theis (North Carolina State University) Prof. Volker Blum (Duke University). The image shows the reaction network of Signal Amplification by Reversible Exchange (SABRE), elucidated by density functional theory (DFT). Read the full text of the Review at 10.1002/cphc.202100204.

摘要

封面插图由托马斯·泰斯教授(北卡罗来纳州立大学)和沃尔克·布卢姆教授(杜克大学)的团队提供。该图像展示了通过密度泛函理论(DFT)阐明的可逆交换信号放大(SABRE)反应网络。在10.1002/cphc.202100204阅读该综述的全文。

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本文引用的文献

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Rational ligand choice extends the SABRE substrate scope.合理的配体选择扩展了 SABRE 底物范围。
Chem Commun (Camb). 2020 Aug 21;56(65):9336-9339. doi: 10.1039/d0cc01330g. Epub 2020 Jul 16.
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Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst.通过调节活性磁化转移催化剂,利用SABRE优化丙酮酸超极化
Catal Sci Technol. 2020 Mar 7;10(5):1343-1355. doi: 10.1039/c9cy02498k. Epub 2020 Jan 28.
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A role for low concentration reaction intermediates in the signal amplification by reversible exchange process revealed by theory and experiment.
理论和实验揭示了低浓度反应中间体在可交换过程中的信号放大中的作用。
Phys Chem Chem Phys. 2020 Mar 7;22(9):5033-5037. doi: 10.1039/c9cp06386b. Epub 2020 Feb 19.
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SABRE: Chemical kinetics and spin dynamics of the formation of hyperpolarization.SABRE:极化增强的化学动力学和自旋动力学。
Prog Nucl Magn Reson Spectrosc. 2019 Oct-Dec;114-115:33-70. doi: 10.1016/j.pnmrs.2019.05.005. Epub 2019 May 25.
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F Hyperpolarization of N-3-F-Pyridine Via Signal Amplification by Reversible Exchange.通过可逆交换的信号放大实现N-3-氟吡啶的超极化
J Phys Chem C Nanomater Interfaces. 2018 Oct 11;122(40):23002-23010. doi: 10.1021/acs.jpcc.8b06654. Epub 2018 Sep 18.
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Hyperpolarising Pyruvate through Signal Amplification by Reversible Exchange (SABRE).通过信号放大可逆交换(SABRE)使丙酮酸超极化。
Angew Chem Int Ed Engl. 2019 Jul 22;58(30):10271-10275. doi: 10.1002/anie.201905483. Epub 2019 Jun 17.
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Reaction Monitoring Using SABRE-Hyperpolarized Benchtop (1 T) NMR Spectroscopy.使用 SABRE-高极化台式(1 T)NMR 光谱学进行反应监测。
Anal Chem. 2019 May 21;91(10):6695-6701. doi: 10.1021/acs.analchem.9b00729. Epub 2019 May 2.
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Unveiling coherently driven hyperpolarization dynamics in signal amplification by reversible exchange.揭示可逆交换信号放大中相干驱动的超极化动力学。
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Quantification of hyperpolarisation efficiency in SABRE and SABRE-Relay enhanced NMR spectroscopy.在 SABRE 和 SABRE-Relay 增强 NMR 光谱中,极化效率的定量。
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Hyperpolarized NMR Spectroscopy: d-DNP, PHIP, and SABRE Techniques.超极化核磁共振波谱法:动态核极化、质子诱导极化和信号增强通过弛豫放大技术
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