Related papers: Microstructural Geometry Revealed by NMR Lineshape…
Nuclear magnetic resonance (NMR) diffusion measurements are widely used to derive parameters indirectly related to the microstructure of biological tissues and porous media. However, a direct imaging of cell or pore shapes and sizes would…
Understanding diffusion in microstructures plays a crucial role in many scientific fields, including neuroscience, cancer or energy research. While magnetic resonance (MR) methods are the gold standard for diffusion measurements, spatial…
A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations such as the free-energy profile for ionic adsorption, and…
In porous material research, one main interest of nuclear magnetic resonance (NMR) diffusion experiments is the determination of the exact shape of pores. It has been a longstanding ques-tion if this is achievable in principle. In this…
This paper presents a novel approach on solving the phase problem in nuclear magnetic resonance (NMR) diffusion pore imaging, a method, which allows imaging the shape of arbitrary closed pores filled with an NMR-detectable medium for…
We report initial NMR studies of i) xenon gas diffusion in model heterogeneous porous media, and ii) continuous flow laser-polarized xenon gas. Both areas utilize the Pulsed Gradient Spin Echo techniques in the gas-phase, with the aim of…
Porous materials are widely used for applications in gas storage and separation. The diffusive properties of a variety of gases in porous media can be modeled using molecular dynamics simulations that can be computationally demanding…
Diffusion pore imaging is an extension of diffusion-weighted nuclear magnetic resonance imaging enabling the direct measurement of the shape of arbitrarily formed, closed pores by probing diffusion restrictions using the motion of…
Porous carbonaceous materials have many important industrial applications including energy storage, water purification, and adsorption of volatile organic compounds. Most of their applications rely upon the adsorption of molecules or ions…
Achieving atomic resolution is the ultimate limit of magnetic resonance imaging (MRI), and attaining this capability offers enormous technological and scientific opportunities, from drug development to understanding the dynamics in…
The mechanical properties of soft materials can be probed on small length scales by various microrheology methods. A common approach tracks fluctuations of micrometer-sized beads embedded in the medium to be characterized. This approach…
Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…
Microstructure reconstruction has been an essential part of computational material engineering to reveal the relationship between microstructures and material properties. However, finding a general solution for microstructure…
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…
In porous material research, one main interest of nuclear magnetic resonance diffusion (NMR) experiments is the determination of the shape of pores. While it has been a longstanding question if this is in principle achievable, it has been…
Functional connectivity estimates are highly sensitive to analysis choices and can be dominated by noise when the number of sampled time points is small relative to network dimensionality. This issue is particularly acute in fMRI, where…
Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…
In this work we investigate the emergence of the localization regime for diffusion in various geometries: inside slabs, inside cylinders and around rods arranged on a square array. At high gradients, the transverse magnetization is strongly…
Diffusion magnetic resonance imaging (dMRI) is a crucial non-invasive technique for exploring the microstructure of the living human brain. Traditional hand-crafted and model-based tissue microstructure reconstruction methods often require…
We present a method to probe molecular and nanoparticle diffusion within thin, solvated polymer coatings. The device exploits the confinement with well-defined geometry that forms at the interface between a planar and a hemi-spherical…