When the MOUSE leaves the house

Blümich, Bernhard; Anders, Jens

doi:10.5194/mr-2-149-2021

“…NMR relaxometry measurements were performed at room temperature with an NMR-MOUSE (Mobile Universal Surface Explorer) PM25 0.3 T unilateral magnet ( 13 , 60 ) and a Magritek Kea II spectrometer at a 1 H resonant frequency of 13.11 MHz. A CPMG pulse sequence ( 61 , 62 ) was used to detect R 2 relaxation and fit with a Laplace inversion algorithm in Prospa v3.61 software from Magritek (Malvern, PA).…”

Section: Methodsmentioning

confidence: 99%

Magnetic resonance insights into the heterogeneous, fractal-like kinetics of chemically recyclable polymers

Fricke,

Haber,

Hua

et al. 2024

Sci. Adv.

0

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Moving toward a circular plastics economy is a vital aspect of global resource management. Chemical recycling of plastics ensures that high-value monomers can be recovered from depolymerized plastic waste, thus enabling circular manufacturing. However, to increase chemical recycling throughput in materials recovery facilities, the present understanding of polymer transport, diffusion, swelling, and heterogeneous deconstruction kinetics must be systematized to allow industrial-scale process design, spanning molecular to macroscopic regimes. To develop a framework for designing depolymerization processes, we examined acidolysis of circular polydiketoenamine elastomers. We used magnetic resonance to monitor spatially resolved observables in situ and then evaluated these data with a fractal method that treats nonlinear depolymerization kinetics. This approach delineated the roles played by network architecture and reaction medium on depolymerization outcomes, yielding parameters that facilitate comparisons between bulk processes. These streamlined methods to investigate polymer hydrolysis kinetics portend a general strategy for implementing chemical recycling on an industrial scale.

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“…Diese Nachteile können durch den Einsatz von Benchtop‐NMR‐Spektrometern überwunden werden, die kryogenfrei arbeiten, wenig Platz benötigen und einfach auf einem Arbeitstisch installiert werden können. Trotz der Verwendung von Permanentmagneten können Benchtop‐NMR‐Spektrometer heutzutage Magnetfeldstärken von 42–125 MHz liefern und stellen somit eine attraktive Alternative zur Hochfeld‐NMR dar [9–10] . Die Kombination von Benchtop‐NMR mit der Betriebssoftware von konventionellen Hochfeldgeräten erleichtert den Vergleich von Daten und den Austausch von Methoden zwischen verschiedenen Spektrometern oder Einrichtungen, unabhängig davon, wie viel Platz, Budget und Fachwissen zur Verfügung steht [11–12] .…”

Section: Figureunclassified

Fragment‐Screening und schnelle mikromolare Detektion mit einem Benchtop‐NMR‐Spektrometer ermöglicht durch photoinduzierte Hyperpolarisation

Stadler,

Segawa,

Bütikofer

et al. 2023

Angewandte Chemie

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Fragment‐based drug design is a well‐established strategy for rational drug design, with nuclear magnetic resonance (NMR) on high‐field spectrometers as the method of reference for screening and hit validation. However, high‐field NMR spectrometers are not only expensive, but require specialized maintenance, dedicated space, and depend on liquid helium cooling which became critical over the recurring global helium shortages. We propose an alternative to high‐field NMR screening by applying the recently developed approach of fragment screening by photoinduced hyperpolarized NMR on a cryogen‐free 80 MHz benchtop NMR spectrometer yielding signal enhancements of up to three orders in magnitude. It is demonstrated that it is possible to discover new hits and kick‐off drug design using a benchtop NMR spectrometer at low micromolar concentrations of both protein and ligand. The approach presented performs at higher speed than state‐of‐the‐art high‐field NMR approaches while exhibiting a limit of detection in the nanomolar range. Photoinduced hyperpolarization is known to be inexpensive and simple to be implemented, which aligns greatly with the philosophy of benchtop NMR spectrometers. These findings open the way for the use of benchtop NMR in near‐physiological conditions for drug design and further life science applications.

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“…These disadvantages can be overcome by using benchtop NMR spectrometers which operate cryogen‐free, require little space, and can be easily installed on a bench. Despite the usage of permanent magnets, benchtop NMR spectrometers nowadays can provide magnetic field strengths of 42–125 MHz, and therefore represent an attractive alternative to high‐field NMR [9–10] . The combination of benchtop NMR with operating software from conventional high‐field instruments facilitates the comparison of data and interchange of methods between different spectrometers or facilities regardless of what space, budget, and expertise is available [11–12] .…”

Section: Figurementioning

confidence: 99%

Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization

Stadler,

Segawa,

Bütikofer

et al. 2023

Angew Chem Int Ed

3

0

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Fragment‐based drug design is a well‐established strategy for rational drug design, with nuclear magnetic resonance (NMR) on high‐field spectrometers as the method of reference for screening and hit validation. However, high‐field NMR spectrometers are not only expensive, but require specialized maintenance, dedicated space, and depend on liquid helium cooling which became critical over the recurring global helium shortages. We propose an alternative to high‐field NMR screening by applying the recently developed approach of fragment screening by photoinduced hyperpolarized NMR on a cryogen‐free 80 MHz benchtop NMR spectrometer yielding signal enhancements of up to three orders in magnitude. It is demonstrated that it is possible to discover new hits and kick‐off drug design using a benchtop NMR spectrometer at low micromolar concentrations of both protein and ligand. The approach presented performs at higher speed than state‐of‐the‐art high‐field NMR approaches while exhibiting a limit of detection in the nanomolar range. Photoinduced hyperpolarization is known to be inexpensive and simple to be implemented, which aligns greatly with the philosophy of benchtop NMR spectrometers. These findings open the way for the use of benchtop NMR in near‐physiological conditions for drug design and further life science applications.

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When the MOUSE leaves the house

Cited by 22 publications

References 65 publications

Magnetic resonance insights into the heterogeneous, fractal-like kinetics of chemically recyclable polymers

Magnetic resonance insights into the heterogeneous, fractal-like kinetics of chemically recyclable polymers

Fragment‐Screening und schnelle mikromolare Detektion mit einem Benchtop‐NMR‐Spektrometer ermöglicht durch photoinduzierte Hyperpolarisation

Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization

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