1H-NMR study of water dynamics in hydrated collagen: Transverse relaxation-time and diffusion analysis

Traoré, Amidou; Foucat, Loı̈c; Renou, Jean-Pierre

doi:10.1002/(sici)1097-0282(200005)53:6<476::aid-bip4>3.0.co;2-8

Cited by 28 publications

(8 citation statements)

References 30 publications

(38 reference statements)

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“…For clarifying the water diffusion in wood, it is possible to consider a material medium with barrier spacing a and arbitrary permeability p. This approach has been applied in the publications before [23,34,39,[41][42][43]. The apparent diffusion coefficient measured for the small ∆ values could be considered as a free diffusion coefficient D 0 [7,39,42,43]. When diffusion time is increasing to big ∆ values, the diffusion coefficient approaches asymptotic value D asym .…”

Section: Resultsmentioning

confidence: 99%

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One- and Two-Dimensional NMR in Studying Wood–Water Interaction at Moisturizing Spruce. Anisotropy of Water Self-Diffusion

Rodin

2019

Colloids and Interfaces

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This paper examines how wetting the surface of wood affects characteristics of wood materials. An important question is how moisturizing wood has an effect on diffusion parameters of water, which will change conditions of the technological treatment of material. A fibrous structure of wood can result in different diffusivities of water in the perpendicular direction and along the wood fibers. The work explores how 1- and 2-dimensional NMR with pulsed field gradients (PFG) highlights an anisotropic diffusion of water when moisturizing spruce wood. The methods applied: T2-relaxation (CPMG) measurements with the application of inverse Laplace transform (ILT), cross-relaxation experiments (Goldman–Shen pulse sequence), 1D PFG NMR on oriented wood pieces or applying gradients in various orientation, and 2D diffusion-diffusion correlation spectroscopy (DDCOSY) with two pairs of colinear gradient pulses. The results showed anisotropic restricted diffusion correlating the size of tracheid cells. The experimental 2D diffusion-diffusion correlation maps were compared with model calculations based on parameters of 2D experiment on spruce and the theory of 2D DDCOSY with ILT. Moisturizing spruce wood resulted in anisotropic diffusion coefficient which can be monitored in 2D NMR to discover different diffusion coefficients of water along the axis of wood fibers and in orthogonal direction.

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Section: Resultsmentioning

confidence: 99%

“…When diffusion time is increasing to big ∆ values, the diffusion coefficient approaches asymptotic value D asym . The free diffusion coefficient D 0 , D asym , barrier spacing a, and permeability p are combined by Equation (8) [8,35,42,43]:…”

Section: Resultsmentioning

confidence: 99%

One- and Two-Dimensional NMR in Studying Wood–Water Interaction at Moisturizing Spruce. Anisotropy of Water Self-Diffusion

Rodin

2019

Colloids and Interfaces

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“…Other techniques such as atomic force microscopy and infrared spectroscopy can be used to identify the surface distribution, hydrogen bonding, and orientation of water on mineral surfaces. , Sum frequency generation–vibration spectroscopy and optical second harmonic generation are surface-sensitive techniques used to probe the structure interfacial molecules on solid/liquid interfaces. NMR spectroscopy, a fast, nondestructive technique, could also be used to probe the dynamics of water at solid–liquid interfaces. − The results presented here will provide a dataset on which to compare future experimental studies, toward the understanding of fundamental properties of relevance to large scale applications such as enhanced oil recovery or carbon sequestration.…”

Section: Discussionmentioning

confidence: 99%

Salt Effects on the Structure and Dynamics of Interfacial Water on Calcite Probed by Equilibrium Molecular Dynamics Simulations

Ali

Striolo

et al. 2020

J. Phys. Chem. C

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It is important to understand the properties of interfacial water at mineral surfaces. Since calcite is one of the most common minerals found in rocks and sedimentary deposits, and since it represents a likely phase encountered in reservoirs dedicated to carbon sequestration, it is crucial to understand the behavior of fluids on its surface. In this study, the impacts of sodium chloride (NaCl), potassium chloride (KCl), and magnesium chloride (MgCl2) on the structure and dynamics of water on the calcite interface were investigated using equilibrium molecular dynamics simulations. Two force fields were compared to model calcite. The resultant properties of interfacial water were quantified and compared in terms of atomic density profiles, surface density distributions, radial distribution functions (RDFs), hydrogen bond (HB) density profiles, angular distributions, and residence times. Our results show the formation of distinct interfacial molecular layers, with water molecules in each layer having slightly different orientations, depending on the force field implemented. The fluid behavior within the first interfacial layers differs from that observed in bulk water. There was a tendency for water molecules in adjacent layers to form HBs between each other or the surface, as opposed to the formation of HBs within each hydration layer. The addition of ions disrupts the well-organized structure of oxygen atoms in the first and second hydration layers, with KCl having the biggest effect. Conversely, far from the interface, MgCl2 leads to the lowest number of HBs per water, out of the salts considered. The residence time of water within the second hydration layer follows a biexponential decay, suggesting the simultaneous presence of two dynamic mechanisms, one characterized by shorter time scales than the other. The time scale associated with the former mechanism decreases as the salt concentration is increased, whereas the opposite is observed for the slower mechanism. In general, the results obtained with the two force fields used to simulate calcite are similar in terms of the features of the hydration layers and HB network but differ significantly in their predictions for the residence times. Although experimental results are not available to identify which of the two force fields yields predictions that more closely resemble reality, the results highlight the contributions of surface–water, water–water, and ion–water interactions on the wetting properties of calcite, which are especially important for calcite–water–electrolyte interactions commonly observed in nature.

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“…We note that the reported values of T2 are an approximation to what is more likely multiexponential relaxation arising from multiple water compartments in each skin layer. In fact, this has been observed in studies of hydrated collagen . Multiexponential T2 relaxation has also been observed in native and degraded cartilage, which, like skin, has a large collagen content .…”

Section: Discussionmentioning

confidence: 68%

Characterization of skin abnormalities in a mouse model of osteogenesis imperfecta using high resolution magnetic resonance imaging and Fourier transform infrared imaging spectroscopy

et al. 2011

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Evaluation of the skin phenotype in osteogenesis imperfecta (OI) typically involves biochemical measurements, such as histologic or biochemical assessment of the collagen produced from biopsy‐derived dermal fibroblasts. As an alternative, the current study utilized non‐invasive magnetic resonance imaging (MRI) microscopy and optical spectroscopy to define biophysical characteristics of skin in an animal model of OI. MRI of skin harvested from control, homozygous oim/oim and heterozygous oim/+ mice demonstrated several differences in anatomic and biophysical properties. Fourier transform infrared imaging spectroscopy (FT‐IRIS) was used to interpret observed MRI signal characteristics in terms of chemical composition. Differences between wild‐type and OI mouse skin included the appearance of a collagen‐depleted lower dermal layer containing prominent hair follicles in the oim/oim mice, accounting for 55% of skin thickness in these. The MRI magnetization transfer rate was lower by 50% in this layer as compared to the upper dermis, consistent with lower collagen content. The MRI transverse relaxation time, T2, was greater by 30% in the dermis of the oim/oim mice compared to controls, consistent with a more highly hydrated collagen network. Similarly, an FT‐IRIS‐defined measure of collagen integrity was 30% lower in the oim/oim mice. We conclude that characterization of phenotypic differences between the skin of OI and wild‐type mice by MRI and FT‐IRIS is feasible, and that these techniques provide powerful complementary approaches for the analysis of the skin phenotype in animal models of disease. Copyright © 2011 John Wiley & Sons, Ltd.

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1H-NMR study of water dynamics in hydrated collagen: Transverse relaxation-time and diffusion analysis

Cited by 28 publications

References 30 publications

One- and Two-Dimensional NMR in Studying Wood–Water Interaction at Moisturizing Spruce. Anisotropy of Water Self-Diffusion

One- and Two-Dimensional NMR in Studying Wood–Water Interaction at Moisturizing Spruce. Anisotropy of Water Self-Diffusion

Salt Effects on the Structure and Dynamics of Interfacial Water on Calcite Probed by Equilibrium Molecular Dynamics Simulations

Characterization of skin abnormalities in a mouse model of osteogenesis imperfecta using high resolution magnetic resonance imaging and Fourier transform infrared imaging spectroscopy

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