Molecular-level environments of intercalated chloroaluminate anions in rechargeable aluminum-graphite batteries revealed by solid-state NMR spectroscopy

2020 ◽  
Vol 8 (31) ◽  
pp. 16006-16017
Author(s):  
Jeffrey H. Xu ◽  
Ankur L. Jadhav ◽  
Damon E. Turney ◽  
Robert J. Messinger
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Mas Nmr ◽  
Graphite Electrodes ◽  
Solid State Nmr Spectroscopy ◽  
Intercalated Graphite ◽  
Wide Range

Solid-state 27Al MAS NMR spectroscopy and DFT calculations reveal that intercalated AlCl4− anions exhibit a wide range of molecular geometries and environments, establishing that the intercalated graphite electrodes exhibit high extents of disorder.

scholarly journals Synthesis, characterization and modeling of self-assembled porphyrin nanorods

2019 ◽  
Vol 23 (11n12) ◽  
pp. 1346-1354 ◽  
Author(s):  
Danielle Laurencin ◽  
Pascal G. Yot ◽  
Christel Gervais ◽  
Yannick Guari ◽  
Sébastien Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Ion Association ◽  
Free Base ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Porphyrin nanorods were prepared by ion-association between free-base meso 5,10,15,20-tetrakis-(4-[Formula: see text]-methylpyridinium)porphyrin cations and tetraphenylborate anions. The nanorods have variable lengths (up to a few micrometers long) and diameters ([Formula: see text]50–500 nm). Their structure at the molecular level was elucidated by combining multinuclear solid state NMR spectroscopy, synchrotron X-ray powder diffraction and DFT calculations.

Investigating Sorption on Iron−Oxyhydroxide Soil Minerals by Solid-State NMR Spectroscopy:  A6Li MAS NMR Study of Adsorption and Absorption on Goethite

2005 ◽  
Vol 109 (39) ◽  
pp. 18310-18315 ◽  
Author(s):  
Ulla Gro Nielsen ◽  
Younkee Paik ◽  
Keinia Julmis ◽  
Martin A. A. Schoonen ◽  
Richard J. Reeder ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Mas Nmr ◽  
Iron Oxyhydroxide ◽  
Soil Minerals ◽  
Solid State Nmr Spectroscopy ◽  
Nmr Study

scholarly journals Characterization of nucleosome sediments for protein interaction studies by solid-state NMR spectroscopy

2021 ◽  
Author(s):  
Ulric B. le Paige ◽  
ShengQi Xiang ◽  
Marco M. R. M. Hendrix ◽  
Yi Zhang ◽  
Markus Weingarth ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Dense Phase ◽  
Binding Studies ◽  
Nmr Studies ◽  
Solid State Nmr Spectroscopy ◽  
Wide Range

Abstract. Regulation of DNA-templated processes such as gene transcription and DNA repair depend on the interaction of a wide range of proteins to the nucleosome, the fundamental building block of chromatin. Both solution and solid-state NMR spectroscopy have become an attractive approach to study the dynamics and interactions of nucleosomes, despite their high molecular weight of ~200 kDa. For solid-state NMR (ssNMR) studies, dilute solutions of nucleosomes are converted to a dense phase by sedimentation or precipitation. Since nucleosomes are known to self-associate, these dense phases may induce extensive interactions between nucleosomes, which could interfere with protein binding studies. Here, we characterized the packing of nucleosomes in the dense phase created by sedimentation using NMR and small-angle x-ray scattering (SAXS) experiments. We found that nucleosome sediments are gels with variable degrees of solidity, have nucleosome concentration close to that found in crystals, and are stable for weeks under high-speed magic angle spinning (MAS). Furthermore, SAXS data recorded on recovered sediments indicate that there is no pronounced long-range ordering of nucleosomes in the sediment. Finally, we show that the sedimentation approach can also be used to study low affinity protein interactions with the nucleosome. Together, our results give new insights into the sample characteristics of nucleosome sediments for ssNMR studies and illustrate the broad applicability of sedimentation-based NMR studies.

Dynamics of Silica-Supported Catalysts Determined by Combining Solid-State NMR Spectroscopy and DFT Calculations

2008 ◽  
Vol 130 (18) ◽  
pp. 5886-5900 ◽  
Author(s):  
Frédéric Blanc ◽  
Jean-Marie Basset ◽  
Christophe Copéret ◽  
Amritanshu Sinha ◽  
Zachary J. Tonzetich ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Supported Catalysts ◽  
Solid State Nmr Spectroscopy

scholarly journals Solid-state NMR measurements and DFT calculations of the magnetic shielding tensors of protons of water trapped in barium chlorate monohydrate

RSC Advances ◽  
2014 ◽  
Vol 4 (99) ◽  
pp. 56248-56258 ◽  
Author(s):  
Diego Carnevale ◽  
Sharon E. Ashbrook ◽  
Geoffrey Bodenhausen
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Magnetic Shielding ◽  
Magic Angle ◽  
Solid State Nmr Spectroscopy ◽  
Shielding Tensors ◽  
Angle Spinning

The magnetic shielding tensors of protons of water in barium chlorate monohydrate are investigated by means of solid-state NMR spectroscopy, both for static powders and under magic-angle spinning conditions.

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