ArticleMagnetic resonance in medicine2022
Detection of electrostatic molecular binding using the water proton signal.
Article in Magnetic resonance in medicine, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Design Chemical Exchange Saturation Transfer Contrast Agents and Nanocarriers for Imaging Proton ExchangeACS nano · 2024Review
- In vivo characterization of glycogen storage disease type III in a mouse model using glycoNOE MRI.Magnetic resonance in medicine · 2024Article
- The exchange rate of creatine CEST in mouse brain.Magnetic resonance in medicine · 2023Article
- Detection of electrostatic molecular binding using the water proton signal.Magnetic resonance in medicine · 2022Article
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Authors and funding
6 authors.
Funding
Abstract
purposeSaturation transfer MRI has previously been used to probe molecular binding interactions with signal enhancement via the water signal. Here, we detail the relayed nuclear overhauser effect (rNOE) based mechanisms of this signal enhancement, develop a strategy of quantifying molecular binding affinity, i.e., the dissociation constant ( THEORY AND
methodsThe signal enhancement mechanism was quantitatively described by a three-step magnetization transfer model, and numerical simulations were performed to verify this theory. The binding equilibria of arginine, choline, and acetyl-choline to anionic resin were studied as a function of ligand concentration, pH, and salt content. Equilibrium dissociation constants (
resultsThe numerical simulations indicate that the signal enhancement is sufficient to detect the molecular binding of sub-millimolar (∼100 μM) concentration ligands to low micromolar levels of molecular targets. The measured rNOE signals from arginine, choline, and acetyl-choline binding experiments show that several magnetization transfer pathways (intra-ligand rNOEs and intermolecular rNOEs) can contribute. The rNOEs that arise from molecular ionic binding were influenced by pH and salt concentration. The molecular binding strengths in terms of
conclusionThe capability to use MRI to detect the transient binding of small substrates paves a pathway towards the detection of micromolar level receptor-substrate binding in vivo.
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