Chapter 9. Probing Exchange and Diffusion in Confined Systems by <sup>129</sup>Xe NMR Spectroscopy

Hollenbach, Julia; Anger, Ben; Matysik, Jörg

doi:10.1039/9781782623779-00294

Cited by 6 publications

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“…As a gas, Xe is a straightforward reporter for investigating cavities in porous materials [ 11 ]. Its application range, however, goes far beyond synthetic structures.…”

Section: Xenon-host Interactions: the Basis For Functionalized mentioning

confidence: 99%

“…Contrary to He, Xe has a decent solubility in aqueous solutions and has thus also been used in structural biology studies to explore cavities in proteins [ 10 ]. Moreover, the investigation of porous materials also benefits from Xe NMR studies where the nucleus is sensitive to interactions with the wall material [ 11 ]. Thus, despite being an inert gas, 129 Xe is a valuable diagnostic and biomolecular reporter for exploring its molecular environment [ 12 , 13 ] as it combines high sensitivity with high specificity.…”

Section: Introductionmentioning

confidence: 99%

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Molecular Sensing with Host Systems for Hyperpolarized 129Xe

Jayapaul

Schröder

2020

Molecules

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Hyperpolarized noble gases have been used early on in applications for sensitivity enhanced NMR. 129Xe has been explored for various applications because it can be used beyond the gas-driven examination of void spaces. Its solubility in aqueous solutions and its affinity for hydrophobic binding pockets allows “functionalization” through combination with host structures that bind one or multiple gas atoms. Moreover, the transient nature of gas binding in such hosts allows the combination with another signal enhancement technique, namely chemical exchange saturation transfer (CEST). Different systems have been investigated for implementing various types of so-called Xe biosensors where the gas binds to a targeted host to address molecular markers or to sense biophysical parameters. This review summarizes developments in biosensor design and synthesis for achieving molecular sensing with NMR at unprecedented sensitivity. Aspects regarding Xe exchange kinetics and chemical engineering of various classes of hosts for an efficient build-up of the CEST effect will also be discussed as well as the cavity design of host molecules to identify a pool of bound Xe. The concept is presented in the broader context of reporter design with insights from other modalities that are helpful for advancing the field of Xe biosensors.

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“…As a gas, Xe is a straightforward reporter for investigating cavities in porous materials [ 11 ]. Its application range, however, goes far beyond synthetic structures.…”

Section: Xenon-host Interactions: the Basis For Functionalized mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Sensing with Host Systems for Hyperpolarized 129Xe

Jayapaul

Schröder

2020

Molecules

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“…Therefore, hyperpolarization methods are presently a hot topic (Halse, 2016;Köckenberger and Matysik, 2010;Kovtunov et al, 2018;Wang et al, 2019). Examples of these techniques are dynamic nuclear polarization (Ardenkjaer-Larsen, 2016; Kjeldsen et al, 2018;Lilly Thankamony et al, 2017;Milani et al, 2015;Ni et al, 2013), spin-exchange optical pumping (Hollenbach et al, 2016;Meersmann and Brunner, 2015;Norquay et al, 2018;Walker, 2011), photochemically induced dynamic nuclear polarization (Bode et al, 2012;Kiryutin et al, 2012;Sosnovsky et al, 2019), and para-hydrogen-induced polarization (Duckett and Mewis, 2012;Kiryutin et al, 2017;Korchak et al, 2009). Another technique is quantum-rotorinduced polarization (QRIP; Dumez et al, 2017;Horsewill, 1999;Icker and Berger, 2012;Meier, 2018).…”

Section: Introductionmentioning

confidence: 99%

The relation between crystal structure and the occurrence of quantum-rotor-induced polarization

et al. 2021

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Abstract. Among hyperpolarization techniques, quantum-rotor-induced polarization (QRIP), also known as the Haupt effect, is a peculiar one. It is, on the one hand, rather simple to apply by cooling and heating a sample. On the other hand, only the methyl groups of a few substances seem to allow for the effect, which strongly limits the applicability of QRIP. While it is known that a high tunnel frequency is required, the structural conditions for the effect to occur have not been exhaustively studied yet. Here we report on our efforts to heuristically recognize structural motifs in molecular crystals able to allow to produce QRIP.

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“…Therefore, hyperpolarization methods are presently a "hot" issue (Halse, 2016;Köckenberger and Matysik, 2010;Kovtunov et al, 2018;Wang et al, 2019). Examples of these techniques are dynamic nuclear polarization (Ardenkjaer-Larsen, 2016;Kjeldsen et al, 2018;Lilly Thankamony et al, 2017;Milani et al, 2015;Ni et al, 2013), spin-exchange optical pumping (Hollenbach et al, 2016;Meersmann and Brunner, 2015;Norquay et al, 2018;Walker, 2011), photochemically induced dynamic nuclear polarization (Bode et al, 2013;Kiryutin et al, 2012;Sosnovsky et al, 2019) and para-hydrogen induced polarization (Duckett and Mewis, 2012;Kiryutin et al, 2017;Korchak et al, 2009). Another technique is quantum-rotor induced polarization (QRIP) (Dumez et al, 2017;Horsewill, 1999;Icker et al, 2013;Icker and Berger, 2012;Ludwig et al, 2010).…”

Section: Introductionmentioning

confidence: 99%

The relation between crystal structure and the occurrence of quantum-rotor induced polarization

Dietrich¹,

Wissel²,

Lorenz³

et al. 2021

Preprint

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Abstract. Among hyperpolarization techniques, quantum-rotor induced polarization (QRIP), also known as Haupt effect, is a peculiar one. It is on one hand rather simple to apply by cooling and heating of a sample. On the other hand, only the methyl groups of a few substances seem to allow for the effect, which strongly limits the applicability of QRIP. While it is known, that a high tunnel frequency is favorable, the structural requirements for the effect to occur are not exhaustively studied yet. Here we report on our efforts to heuristically recognize structural motifs in molecular crystals able to allow to produce QRIP.

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Chapter 9. Probing Exchange and Diffusion in Confined Systems by ¹²⁹Xe NMR Spectroscopy

Cited by 6 publications

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Molecular Sensing with Host Systems for Hyperpolarized 129Xe

Molecular Sensing with Host Systems for Hyperpolarized 129Xe

The relation between crystal structure and the occurrence of quantum-rotor-induced polarization

The relation between crystal structure and the occurrence of quantum-rotor induced polarization

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Chapter 9. Probing Exchange and Diffusion in Confined Systems by 129Xe NMR Spectroscopy

Cited by 6 publications

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Molecular Sensing with Host Systems for Hyperpolarized 129Xe

Molecular Sensing with Host Systems for Hyperpolarized 129Xe

The relation between crystal structure and the occurrence of quantum-rotor-induced polarization

The relation between crystal structure and the occurrence of quantum-rotor induced polarization

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Chapter 9. Probing Exchange and Diffusion in Confined Systems by ¹²⁹Xe NMR Spectroscopy