Dataset Information

Advances in the exact nuclear Overhauser effect 2018-2022.

ABSTRACT: The introduction of the exact nuclear Overhauser enhancement (eNOE) methodology to solution-state nuclear magnetic resonance (NMR) spectroscopy results in tighter distance restraints from NOEs than in convention analysis. These improved restraints allow for higher resolution in structure calculation and even the disentanglement of different conformations of macromolecules. While initial work primarily focused on technical development of the eNOE, structural studies aimed at the elucidation of spatial sampling in proteins and nucleic acids were published in parallel prior to 2018. The period of 2018-2022 saw a continued series of technical innovation, but also major applications addressing biological questions. Here, we review both aspects, covering topics from the implementation of non-uniform sampling of NOESY buildups, novel pulse sequences, adaption of the eNOE to solid-state NMR, advances in eNOE data analysis, and innovations in structural ensemble calculation, to applications to protein, RNA, and DNA structure elucidation.

SUBMITTER: Hussain A

PROVIDER: S-EPMC9596134 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature

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Advances in the exact nuclear Overhauser effect 2018-2022.

Hussain Alya A Paukovich Natasia N Henen Morkos A MA Vögeli Beat B

Methods (San Diego, Calif.) 20220817

The introduction of the exact nuclear Overhauser enhancement (eNOE) methodology to solution-state nuclear magnetic resonance (NMR) spectroscopy results in tighter distance restraints from NOEs than in convention analysis. These improved restraints allow for higher resolution in structure calculation and even the disentanglement of different conformations of macromolecules. While initial work primarily focused on technical development of the eNOE, structural studies aimed at the elucidation of sp ...[more]

PMID: 35985641

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Project description:Multiple sclerosis is an inflammatory demyelinating condition of the central nervous system affecting approximately 1 million people in the USA. Although standard structural MRI techniques are now the main imaging modality for multiple sclerosis diagnosis and management, they are yet to provide information regarding the metabolic profile of the disease. Ultra-high field 7T MRI systems have provided gains in signal-to-noise ratio (SNR) and spatial resolution for structural MRI as well as larger chemical shifts leading to improvements in specialized imaging sequences, such as nuclear Overhauser effect (NOE) imaging, that can evaluate macromolecular metabolite composition. In this work, NOE images were acquired on a cohort of multiple sclerosis and healthy control subjects to spatially map differences in their lipid metabolites as a result of NOE effects. NOE image data were acquired on a total of 25 subjects {15 multiple sclerosis subjects [10 females, 5 males (21-70 years)] and 10 healthy controls [5 females, 5 males (23-71 years)]} on a 7T MRI system with a frequency offset range of -5 to 5 ppm. A five-pool Lorentzian line fitting model was utilized to fit and quantitatively compare direct saturation (DS), magnetization transfer (MT), amide proton transfer (APT), amine, and relayed NOE (rNOE) and used as a comparison to conventional T1 maps. Grey and white matter tissues were segmented using the T1 maps, while the lesion tissue was segmented manually. Correlations between disease duration and lesion load were performed to investigate any existing relationship to image contrast. The primary findings of this work include statistically significant decreases in the rNOE pool for the normal-appearing white matter (NAWM) (11.4% decrease) and normal-appearing grey matter (NAGM) (10.6% decrease) in multiple sclerosis subjects compared to healthy controls. Additionally, a significant decrease in the amine pool was also observed for NAWM (15.3% decrease) in multiple sclerosis subjects compared to healthy controls. Changes in multiple sclerosis lesion contrast were also observed for several pools (DS, amine, and rNOE). Decreases in both the rNOE and amine pools suggest that in multiple sclerosis, there are diffuse decreases in mobile lipids, such as those found in neuronal cell bodies, as well as a decrease in proteins with amine groups. Furthermore, these measurable contrast changes were not detected in the corresponding T1 maps. NOE imaging can provide complementary metabolic information to conventional MRI methods. Future studies will focus on utilizing this technique for longitudinal tracking of disease progression and investigating similar demyelinating diseases.

Dataset Information

Advances in the exact nuclear Overhauser effect 2018-2022.

Publications

Advances in the exact nuclear Overhauser effect 2018-2022.

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