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001052955 0247_ $$2doi$$a10.1002/anie.202319341
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001052955 1001_ $$00000-0002-8187-5903$$aGierse, Martin$$b0
001052955 245__ $$aHyperpolarizing Small Molecules using Parahydrogen and Solid‐State Spin Diffusion
001052955 260__ $$aWeinheim$$bWiley-VCH$$c2024
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001052955 520__ $$aParahydrogen-induced polarization (PHIP) is an inexpensive way to produce hyperpolarized molecules with polarization levels of >10 % in the solution-state, but is strongly limited in generality since it requires chemical reactions/ interactions with H2. Here we report a new method to widen the scope of PHIP hyperpolarization: a source molecule is produced via PHIP with high 13C polarization, and precipitated out of solution together with a target species. Spin diffusion within the solid carries the polarization onto 13C spins of the target, which can then be dissolved for solution-state applications. We name this method PHIP-SSD (PHIP with solid-state spin diffusion) and demonstrate it using PHIP-polarized [1-13C]-fumarate as the source molecule, to polarize different 13C-labelled target molecules. 13C polarizations of between 0.01 and 3 % were measured on [1-13C]-benzoic acid, depending on the molar ratio of fumarate:benzoate in the solid state. We also show that PHIP-SSD does not require specific co-crystallization conditions by grinding dry powders of target molecules together with solid fumarate crystals, and obtain 13C signal enhancements of between 100 and 200 on [13C,15N2]-urea, [1-13C]-pyruvate, and [1-13C]-benzoic acid. This approach appears to be a promising new strategy for facile hyperpolarization based on PHIP.
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001052955 7001_ $$00000-0003-4935-6115$$aDagys, Laurynas$$b1
001052955 7001_ $$0P:(DE-HGF)0$$aKeim, Michael$$b2
001052955 7001_ $$0P:(DE-HGF)0$$aLucas, Sebastian$$b3
001052955 7001_ $$0P:(DE-HGF)0$$aJosten, Felix$$b4
001052955 7001_ $$00000-0003-4238-8843$$aPlenio, Martin B.$$b5
001052955 7001_ $$0P:(DE-HGF)0$$aSchwartz, Ilai$$b6$$eCorresponding author
001052955 7001_ $$00000-0002-8487-4324$$aKnecht, Stephan$$b7$$eCorresponding author
001052955 7001_ $$0P:(DE-Juel1)204392$$aEills, James$$b8$$eCorresponding author$$ufzj
001052955 773__ $$0PERI:(DE-600)2011836-3$$a10.1002/anie.202319341$$gVol. 63, no. 34, p. e202319341$$n34$$pe202319341$$tAngewandte Chemie / International edition$$v63$$x1433-7851$$y2024
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