ArticleThe journal of physical chemistry. B2015
Structural Insights into Bound Water in Crystalline Amino Acids: Experimental and Theoretical (17)O NMR.
Article in The journal of physical chemistry. B, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 45 citations in OpenAlex.
- Article
- Dynamics studies of side-chains and hydration shells in amyloid-β fibrils using deuterium and oxygen-17 solid-state NMR.Methods in enzymology · 2026Review
- Article
- Hydraulic Activation of the AsLOV2 Photoreceptor.bioRxiv : the preprint server for biology · 2025Article
- Multi-mode water dynamics in hydration shells of villin headpiece subdomain protein in the solid state using deuterium and oxygen-17 NMR spectroscopy.The Journal of chemical physics · 2025Article
- High-ResolutionInorganic chemistry · 2024Article
- Automatic fitting of multiple-field solid-state NMR spectra.Solid state nuclear magnetic resonance · 2024Article
- First Direct Insight into the Local Environment and Dynamics of Water Molecules in the Whewellite Mineral Phase: Mechanochemical Isotopic Enrichment and High-ResolutionThe journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- Solid-stateChemical science · 2022Article
- Fast and Accurate Electric Field Gradient Calculations in Molecular Solids With Density Functional Theory.Frontiers in chemistry · 2021Article
- Higher Magnetic Fields, Finer MOF Structural Information:Journal of the American Chemical Society · 2020Article
- High-ResolutionThe journal of physical chemistry. B · 2019Article
- Advances in instrumentation and methodology for solid-state NMR of biological assemblies.Journal of structural biology · 2019Review
- Direct detection and characterization of bioinorganic peroxo moieties in a vanadium complex bySolid state nuclear magnetic resonance · 2018Article
- Article
- (17)O NMR Investigation of Water Structure and Dynamics.The journal of physical chemistry. B · 2016Article
- ²H Solid-State NMR Analysis of the Dynamics and Organization of Water in Hydrated Chitosan.Polymers · 2016Article
Corrections and comments
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Authors and funding
8 authors at 2 institutions in 2 countries.
Funding
Abstract
We demonstrate here that the (17)O NMR properties of bound water in a series of amino acids and dipeptides can be determined with a combination of nonspinning and magic-angle spinning experiments using a range of magnetic field strengths from 9.4 to 21.1 T. Furthermore, we propose a (17)O chemical shift fingerprint region for bound water molecules in biological solids that is well outside the previously determined ranges for carbonyl, carboxylic, and hydroxyl oxygens, thereby offering the ability to resolve multiple (17)O environments using rapid one-dimensional NMR techniques. Finally, we compare our experimental data against quantum chemical calculations using GIPAW and hybrid-DFT, finding intriguing discrepancies between the electric field gradients calculated from structures determined by X-ray and neutron diffraction.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.