Article
Computer Science, Interdisciplinary Applications
A. Avdo Celik, Chang-Hoon Choi, Lutz Tellmann, Claire Rick, N. Jon Shah, Joerg Felder
Summary: The study demonstrated a PET-transparent MR coil system for a double-tuned H-1/P-31 head coil at 3T, achieving minimal count rate loss and impact on PET image quality through proper component arrangement and design optimization. The MR-related performance was comparable or slightly better than that of a commercial double-tuned coil.
IEEE TRANSACTIONS ON MEDICAL IMAGING
(2021)
Article
Biochemistry & Molecular Biology
Marta Bonaccorsi, Tanguy Le Marchand, Guido Pintacuda
Summary: Magic-Angle Spinning Nuclear Magnetic Resonance (MAS NMR) is a rapidly developing technique that complements solution NMR, X-ray crystallography, and electron microscopy for the biophysical characterization of microcrystalline, poorly crystalline or disordered protein samples. MAS NMR is ideal for investigating both structures and dynamics, and has been increasingly applied in structural biology research in recent years to describe conformational dynamics in various systems.
CURRENT OPINION IN STRUCTURAL BIOLOGY
(2021)
Review
Chemistry, Physical
Mihaela Olaru, Liliana Sachelarie, Gabriela Calin
Summary: With the development of modern tissue engineering concepts and the discovery of stem cell potential in dentistry, the regeneration of hard dental tissues has become a priority. Advances in stem cell-based regeneration strategies and the feasibility of using growth factors in scaffold-based or scaffold-free approaches have shown promise in inducing tooth regeneration.
Review
Chemistry, Physical
Bianca Chandler, Lauren Todd, Steven O. Smith
Summary: G protein-coupled receptors (GPCRs) are a class of transmembrane proteins with a simple structure that can recognize diverse chemical signals. There are over 800 GPCRs encoded in the human genome, serving as receptors for vision, smell, taste, and other physiological processes. While protein crystallography and electron cryo-microscopy have provided high-resolution structures of GPCRs, the structural changes induced by ligand or drug binding to stabilize active or inactive conformations are often subtle. NMR spectroscopy can provide insights into the local structure, dynamics, and activation pathways of GPCRs, capturing intermediate states and low-population conformations. Solid-state magic angle spinning NMR has been used to study the structure and activation mechanisms of GPCRs, particularly in the diverse class A family. This review highlights the application of solid-state and solution-state NMR spectroscopy in understanding the activation of different GPCR classes and subfamilies by their ligands and the modulation of GPCR activation by small molecule drugs. (c) 2021 Elsevier B.V. All rights reserved.
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
(2022)
Article
Multidisciplinary Sciences
Salima Bahri, Robert Silvers, Brian Michael, Kristaps Jaudzems, Daniela Lalli, Gilles Casano, Olivier Ouari, Anne Lesage, Guido Pintacuda, Sara Linse, Robert G. Griffin
Summary: Magic-angle spinning (MAS) NMR spectroscopy has been widely used to study the high-resolution structures of amyloid-beta (A beta) and other fibrils, but it suffers from low sensitivity. In this study, the drawbacks of MAS NMR were overcome by using two relatively recent techniques: H-1 detection and dynamic nuclear polarization (DNP). The results showed improved sensitivity and allowed for nearly complete resonance assignment and structural analysis of A beta fibrils.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Biochemical Research Methods
Andrea Bertarello, Pierrick Berruyer, Urban Skantze, Samiksha Sardana, Malvika Sardana, Charles S. Elmore, Markus Schade, Elisabetta Chiarparin, Staffan Schantz, Lyndon Emsley
Summary: Dynamic nuclear polarization (DNP) significantly enhances the sensitivity of MAS NMR, but cross polarization (CP) is usually not quantitative. Research shows that absolute quantification in MAS DNP NMR is possible under DNP conditions, with errors below 10%.
JOURNAL OF MAGNETIC RESONANCE
(2021)
Article
Biophysics
Tom H. Peeters, Mark J. van Uden, Anne Rijpma, Tom W. J. Scheenen, Arend Heerschap
Summary: P-31 MRSI is a versatile technique for studying phospholipid precursors and energy metabolism in the human brain, but its low sensitivity limits its clinical application. By using a sophisticated coil design and techniques such as H-1 decoupling and NOE enhancement, high-quality MRSI spectra can be obtained at a clinical field strength of 3 T, similar to ultrahigh field strengths.
NMR IN BIOMEDICINE
(2021)
Article
Biochemical Research Methods
Daniel Banks, Brian Michael, Natalie Golota, Robert G. Griffin
Summary: This paper discusses the use of 3D printing and rapid prototyping methods to fabricate 3.2 mm stators and drive caps for NMR experiments. With the assistance of CAD software, these components can be produced at a fraction of the cost of commercial parts, while demonstrating comparable performance to commercially available systems.
JOURNAL OF MAGNETIC RESONANCE
(2022)
Article
Biochemical Research Methods
Evgeny Nimerovsky, Stefan Becker, Loren B. Andreas
Summary: In this study, we investigate the windowed sequence for cross polarization (wCP) and find that it has additional matching conditions compared to traditional cross polarization. By considering the flip angle of the pulse, we observe a striking similarity between wCP and CP transfer conditions. Using spin-1/2 formalism and average Hamiltonian theory, we derive an analytical approximation that matches these observed transfer conditions. Data recorded at spectrometers with different external magnetic fields show that these transfers and the selectivity of CP are related to flip angle (average nutation).
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Chemistry, Analytical
Alan Wong
Summary: High-Resolution Magic-Angle Spinning (HRMAS) NMR spectroscopy is considered an essential technique in metabolomics for assessing the biochemical composition of tissue samples. HRMAS localized profiling shows promise for spatial resolution of metabolic profiles within the sampling tissues.
ANALYTICAL METHODS
(2023)
Review
Chemistry, Physical
Kai Xue, Riddhiman Sarkar, Zdenek Tosner, Bernd Reif
Summary: Proton detection in solid state NMR is continuously advancing, and current achievements include the necessity of deuteration for optimal spectral quality, the superiority of 13CH3 isotopomers for methyl groups at high MAS frequencies, and the sensitivity enhancement with increased static magnetic field.
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
(2022)
Article
Chemistry, Physical
Debashis Majhi, Boris B. Kharkov, Sergey Dvinskikh
Summary: Dipolar NMR spectroscopy is a powerful analytical tool for studying structural and dynamic properties of solids at the molecular level. An approach to determine the signs of dipolar couplings in liquid crystals is presented, where sign information can be directly obtained from one-dimensional NMR spectra in samples spinning slightly off the magic angle. This method can be used to develop an experimental strategy for sign-sensitive measurements of heteronuclear dipolar couplings in anisotropic soft materials.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Suochang Xu, Nicholas R. Jaegers, Wenda Hu, Ja Hun Kwak, Xinhe Bao, Junming Sun, Yong Wang, Jian Zhi Hu
Summary: In this study, detailed analysis of three aluminum oxide phases was conducted using high-field NMR, revealing structural information of different aluminum sites and providing a method to quantify complex mixtures of aluminum sites in transition alumina samples. The results showcase the potential of high-field NMR in characterizing materials and identifying distinct phases within a sample.
Review
Biophysics
Leo L. Cheng
Summary: This article provides a history of the discovery and recent developments of high-resolution magic angle spinning (HRMAS) NMR, a technique used for intact biological material analysis. HRMAS NMR metabolomics studies have been applied in various fields such as human disease states, plant and food analysis, and cell structure studies. The article also discusses the potential applications of HRMAS NMR in future biomedical investigations.
NMR IN BIOMEDICINE
(2023)
Article
Engineering, Mechanical
Rajdeep Deb, Andreas Hunkeler, Dirk Wilhelm, Patrick Jenny, Beat H. Meier
Summary: Numerical stability analysis was performed on aerostatic bearings for small cylindrical rotors. The modified Reynolds equation was used to obtain optimized design parameters and the maximum stable inertial force. Experimental observations and numerical investigations confirmed the role of nozzle diameter, nozzle number, and gas molecular weight in enhancing rotor spinning frequency.
TRIBOLOGY INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Gang Wang, Evgenia Dmitrieva, Benjamin Kohn, Ulrich Scheler, Yannan Liu, Valeriya Tkachova, Lin Yang, Yubin Fu, Ji Ma, Panpan Zhang, Faxing Wang, Jin Ge, Xinliang Feng
Summary: This study demonstrates an efficient Al-amine battery based on a quaternization reaction, which stores the anionic Al complex using nitrogen cations. The battery exhibits high reversible capacity, superior cycling life, fast charge capability, high energy efficiency, and excellent stability against self-discharge.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Biomedical
Florian Olivier, Vincent Sarou-Kanian, Franck Fayon, Sylvie Bonnamy, Nathalie Rochet
Summary: The study demonstrates that ACC and ACC/CDA are highly biocompatible in vivo and that ACC/CDA patches can accelerate bone reconstruction by guiding ACC fibers and promoting osteogenesis through the CDA phase. This approach may represent a valuable strategy to accelerate bone regeneration in humans.
JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART B-APPLIED BIOMATERIALS
(2022)
Article
Physics, Multidisciplinary
Omar Narvaez, Leo Svenningsson, Maxime Yon, Alejandra Sierra, Daniel Topgaard
Summary: Diverse approaches have been used to study microstructure and heterogeneity in biological tissues. Recent research has enabled estimation of nonparametric distributions of frequency-dependent diffusion tensors and relaxation properties using acquisition schemes with free gradient waveforms. These methods allow investigation of the subtle differences in diffusion and relaxation properties.
FRONTIERS IN PHYSICS
(2022)
Article
Chemistry, Physical
Seongkoo Kang, Kyle G. Reeves, Ivette Aguilar, Ana Gabriela Porras Gutierrez, Jean-Claude Badot, Serge Durand-Vidal, Christophe Legein, Monique Body, Antonella Iadecola, Olaf J. Borkiewicz, Olivier Dubrunfaut, Franck Fayon, Pierre Florian, Damien Dambournet
Summary: We demonstrated that the intercalation of Zn2+ ions into the interlayer space of disordered layered titanate significantly enhances the proton conductivity at room temperature. By combining various techniques, we established the relationship between structure and transport in these compounds. The insertion of Zn2+ ions maintains the local arrangement and provides a suitable model to investigate the effect of intercalated ions on transport properties. Experimental and simulation results showed that the proton motion is facilitated by the interactions between water molecules and Zn2+ ions. This study provides insights into the ion-water interactions that mediate ionic transport and has implications for the design of ionic conductors for energy storage applications.
CHEMISTRY OF MATERIALS
(2022)
Article
Multidisciplinary Sciences
Maxime Yon, Marylene Delcey, Pierre Bour, William Grissom, Bruno Quesson, Valery Ozenne
Summary: The complexity of the MRI protocol is a barrier to using MR temperature mapping for real-time monitoring of cardiac ablation procedures. A new method using continuous gradient echo golden angle radial acquisition with motion correction and undersampled temperature determination may provide a more user-friendly and effective alternative, allowing high-resolution temperature monitoring during RF ablations. Further studies are needed to improve temperature uncertainty and evaluate clinical applicability.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Inorganic & Nuclear
Lijia Zhou, Jinxiao Zhang, Congling Yin, Luhui Meng, Jiachen Li, Yuexiang Li, Franck Fayon, Mathieu Allix, Xiaojun Kuang
Summary: A study on a nonstoichiometric melilite oxide ion conductor showed that interstitial oxide ions in the pentagonal rings can be replaced by confined electron anions, converting the conductor into a zero-dimensional electride. Compared to the framework oxide ions, the interstitial oxide ions are more active and easily reducible, leading to enhanced electronic conductivity.
INORGANIC CHEMISTRY
(2022)
Article
Mechanics
Benjamin Kohn, Erik Walinda, Kenji Sugase, Daichi Morimoto, Ulrich Scheler
Summary: This article investigates flow patterns using a combination of nuclear magnetic resonance flow imaging and numerical modeling. The study reveals the presence of counter-flow and flow reversal effects in two different cylindrical geometries. The experimental and simulation results show good agreement, both in steady-state and time-dependent flows.
Article
Instruments & Instrumentation
I. M. Ermini, L. Cosson, F. Fayon, D. Zanghi, C. Tardivat, D. De Sousa Meneses
Summary: A new methodology has been developed to observe the real-time cooling process of materials, from the molten state to low temperature, using an FT-IR emissometer with a Rapid Scan feature. The time-resolved emissivity dependence during phase transition is reported for the first time, and the new dynamic data are compared with equilibrium measurements to demonstrate the reliability of the technique. The proposed method has the potential to be applied to different materials in order to observe fast structural transformations during liquid to solid phase change by analyzing the evolution of the dielectric function.
INFRARED PHYSICS & TECHNOLOGY
(2022)
Article
Materials Science, Ceramics
Simon Blotevogel, Mathilde Poirier, Delphine Vantelon, Erwan Chesneau, Charles E. Dutoit, Valerie Montouillout, Franck Fayon, Judit Kaknics, Gautier Landrot, Giuseppe D. Saldi, Jacques Schott, Herve Vezin, Cedric Patapy, Martin Cyr
Summary: Small amounts of TiO2 in slag-glass can reduce its cementitious reactivity. Through analysis, it was found that 67% of Ti existed as Ti(IV), with about 70% in Ti-[5] coordination and 30% in Ti-[4] coordination, while 33% existed as Ti(III). Ti accumulated in an amorphous layer at the glass surface during dissolution, with 50% in Ti-[5] coordination and 50% in Ti-[6] coordination. At pH 11, the layer was mainly composed of TiO2 (66 wt%), but at pH 13, it was intermixed with a hydrotalcite-like phase.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Subhradeep Mandal, Sakrit Hait, Frank Simon, Anik Ghosh, Ulrich Scheler, Injamamul Arief, Toshio Tada, Tung X. Hoang, Sven Wiessner, Gert Heinrich, Amit Das
Summary: Epoxidized natural rubber can be modified by grafting imidazolium ions, which gives it self-healing and reprocessing properties. The formation of dynamic hydrogen bonding and ionic aggregates leads to improved mechanical strength, self-healing efficiency, and reprocessability. Additionally, the material exhibits excellent transparency. Visualization and stability of the healing process were confirmed through microscopy and spectroscopy analyses.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Weiwei Cao, Ana Isabel Becerro, Victor Castaing, Xue Fang, Pierre Florian, Franck Fayon, Didier Zanghi, Emmanuel Veron, Alessio Zandona, Cecile Genevois, Michael J. Pitcher, Mathieu Allix
Summary: Y3Al5O12 (YAG) is a widely used phosphor host with optical properties controlled by chemical substitution at YO8 or AlO6/AlO4 sublattices, resulting in different emission wavelengths. Nonstoichiometric compositions of Y3+xAl5-xO12 have been synthesized, allowing for new emission wavelengths and activator ions coordination environments. The nonstoichiometric YAG:Ce3+ system has a different response to up-conversion luminescence compared to stoichiometric counterparts, while the down-conversion emission is weakly affected. This study also demonstrates the synthesis of nonstoichiometric garnet materials, opening possibilities for property tuning and new applications.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Shadi Al-Nahari, Eddy Dib, Claudia Cammarano, Etienne Saint-Germes, Dominique Massiot, Vincent Sarou-Kanian, Bruno Alonso
Summary: The use of mineralizing agents (F- or OH-) in hydrothermal synthesis directly affects the distribution of Al sites in ZSM-5 zeolites. The Si/Al ratio impacts the proportions of Al sites for F-, whereas it remains constant for OH-. This understanding provides new and simple opportunities to control the acidity of zeolites.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Polymer Science
Uwe Lappan, Carolin Naas, Ulrich Scheler
Summary: This study utilizes cationic charged chitosan and weak polyacid poly(ethylene-alt-maleic acid) to create polyelectrolyte multilayers (PEMs). By attaching a nitroxide spin-label to the polyacid, the rotational dynamics of the polymer backbone in the swollen state of the PEMs are studied using electron paramagnetic resonance spectroscopy. The study reveals that PEMs with an even number of layers exhibit a superposition of two spectral components, a major slow-motion component from protonated amino groups compensating chain segments of the chitosan, and a minor fast-motion component believed to originate from loops and tails of the polyacid chain at the PEMs' surface.
MACROMOLECULAR CHEMISTRY AND PHYSICS
(2023)
Article
Engineering, Biomedical
Maxence Limelette, Claire De Fourmestraux, Christelle Despas, Audrey Lafragette, Joelle Veziers, Yohan Le Guennec, Gwenola Touzot-Jourde, Lefevre Francois-Xavier, Elise Verron, Bouler Jean-Michel, Bruno Bujoli, Olivier Gauthier
Summary: The presence of blood delays the setting reaction of calcium phosphate cement. The composite material with blood requires around 10 hours to harden, but shows improved cohesion after injection. The addition of blood facilitates the replacement of the composite material by newly formed bone.
JOURNAL OF FUNCTIONAL BIOMATERIALS
(2023)
