Direct Determination of Motional Correlation Times by 1D MAS and 2D Exchange NMR Techniques

Favre, D. E.; Schaefer, D.; Chmelka, B. F.

doi:10.1006/jmre.1998.1506

Cited by 42 publications

(65 citation statements)

References 45 publications

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“…As demonstrated previously, 9 n-pentane in ZK-5 shows two resolved sets of signals in MAS 13 C NMR spectra corresponding to molecules in the˛and cages, respectively. Interestingly, any intercage n-pentane translation in ZK-5 involves microscopic pathways, which alternate between˛and cages (Fig.…”

Section: Theorymentioning

confidence: 70%

“…Thus, in the absence of a preference for one of the two cages, or close to saturation, n-pentane sorbed in ZK-5 would be expected to be equally distributed over the˛and cages. Indeed, recent 13 C NMR studies carried out in our group indicated a roughly equal distribution at moderate to high loading in H-ZK-5.…”

Section: Introductionmentioning

confidence: 91%

“…6 Slower sorbate reorientation inside zeolites can be studied with one-and two-dimensional exchange NMR techniques, as has been demonstrated for, e.g., benzene in Ca-LSX. 7,8 The success of these types of studies depends on the presence of well defined NMR interactions with large anisotropy, such as the 2 H quadrupolar interaction in deuterated sorbates, or the strongly anisotropic chemical shift of 13 C sp 2 nuclei in unsaturated hydrocarbons. Such NMR approach reveals rotational motion in the first place.…”

Section: Introductionmentioning

confidence: 99%

“…9 The siting question could only be answered because alkane molecules in different microscopic environments inside zeolites generally have different sets of chemical shifts in the magic angle spinning (MAS) 13 C NMR spectrum. Excellent examples are the NMR spectra of propane, nbutane, n-pentane, n-hexane or n-heptane in zeolite ZK-5.…”

Section: Introductionmentioning

confidence: 99%

“…The puckered eight-ring window between neighboring cages is too narrow compared with the van der Waals diameter of n-pentane to permit -exchange. n-Pentane in the two types of cages can be distinguished on the basis of the different chemical shifts of its resonances in the 13 C NMR spectrum. This offers the opportunity to study directly npentane translation with NMR by investigating the time correlation between the two sets of resonances.…”

mentioning

confidence: 99%

See 4 more Smart Citations

n-Pentane hopping in zeolite ZK-5 studied with13C NMR

Magusin¹,

Schuring²,

Oers³

et al. 1999

Magn. Reson. Chem.

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Section: Theorymentioning

confidence: 70%

Section: Introductionmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

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See 3 more Smart Citations

n-Pentane hopping in zeolite ZK-5 studied with13C NMR

Magusin¹,

Schuring²,

Oers³

et al. 1999

Magn. Reson. Chem.

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Deuterium Rotating Frame NMR Relaxation Measurements in the Solid State under Static Conditions for Quantification of Dynamics

Vugmeyster

Ostrovsky

2018

ChemPhysChem

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The feasibility of static deuterium rotating frame NMR relaxation measurements for characterization of slow timescale motions in powder systems is demonstrated. Using a model compound dimethyl sulfone-d , we show that these measurements yield conformational exchange rates and activation energy values in accordance with results obtained with other techniques. Furthermore, we demonstrate that the full Liouvillian approach as opposed to the Redfield approximation is necessary to analyze the experimental data.

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Deuteron Quadrupolar Chemical Exchange Saturation Transfer (Q‐CEST) Solid‐State NMR for Static Powder Samples: Approach and Applications to Amyloid‐β Fibrils

Vugmeyster

Ostrovsky

2020

ChemPhysChem

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We provide an experimental and computational framework for 2 H quadrupolar chemical exchange saturation transfer NMR experiments (Q-CEST) under static solid-state conditions for the quantification of dynamics on μs-ms timescales. Simulations using simple 2-site exchange models provide insights into the relation between spin dynamics and motions. Biological applications focus on two sites of amyloid-β fibrils in the 3-fold symmetric polymorph. The first site, the methyl group of A2 of the disordered N-terminal domain, undergoes diffusive motions and conformational exchange due to transient interactions.Earlier 2 H rotating frame relaxation and quadrupolar CPMG measurements are combined with the Q-CEST approach to characterize the multiple conformational states of the domain. The second site, the methyl group of M35, spans the wateraccessible cavity inside the fibrils' core and undergoes extensive rotameric exchange. Q-CEST permits us to refine the rotameric exchange model for this site and allows the more precise determination of populations and rotameric exchange rate constants than line shape analysis.[a] Prof. L. Vugmeyster

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Direct Determination of Motional Correlation Times by 1D MAS and 2D Exchange NMR Techniques

Cited by 42 publications

References 45 publications

n-Pentane hopping in zeolite ZK-5 studied with13C NMR

n-Pentane hopping in zeolite ZK-5 studied with13C NMR

Deuterium Rotating Frame NMR Relaxation Measurements in the Solid State under Static Conditions for Quantification of Dynamics

Deuteron Quadrupolar Chemical Exchange Saturation Transfer (Q‐CEST) Solid‐State NMR for Static Powder Samples: Approach and Applications to Amyloid‐β Fibrils

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