scholarly journals Editorial for the Special Issue on Solid-State NMR Spectroscopy in Materials Chemistry

Molecules ◽  
2020 ◽  
Vol 25 (12) ◽  
pp. 2720
Author(s):  
Mattias Edén
Keyword(s):  
Molecular Structure ◽  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Solid State Nmr ◽  
Spectroscopic Technique ◽  
Nanometer Scale ◽  
Materials Chemistry ◽  
Special Issue ◽  
The Past

Nuclear Magnetic Resonance (NMR) has, over the past few decades, emerged as the most powerful spectroscopic technique for studying molecular structure across a sub-nanometer scale, as well as for probing molecular dynamics over widely spanning timescales (ns to s) [...]

scholarly journals Structure and Dynamics of Spider Silk Studied with Solid-State Nuclear Magnetic Resonance and Molecular Dynamics Simulation

Molecules ◽  
2020 ◽  
Vol 25 (11) ◽  
pp. 2634
Author(s):  
Tetsuo Asakura
Keyword(s):  
Molecular Dynamics ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Solid State Nmr ◽  
Md Simulation ◽  
Isotope Labeling ◽  
Dynamics Simulation ◽  
Structure And Dynamics ◽  
Nuclear Magnetic

This review will introduce very recent studies using solid-state nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulation on the structure and dynamics of spider dragline silks conducted by the author’s research group. Spider dragline silks possess extraordinary mechanical properties by combining high tensile strength with outstanding elongation before breaking, and therefore continue to attract attention of researchers in biology, biochemistry, biophysics, analytical chemistry, polymer technology, textile technology, and tissue engineering. However, the inherently non-crystalline structure means that X-ray diffraction and electron diffraction methods provide only limited information because it is difficult to study the molecular structure of the amorphous region. The most detailed picture of the structure and dynamics of the silks in the solid state experimentally have come from solid-state NMR measurements coupled with stable isotope labeling of the silks and the related silk peptides. In addition, combination of solid-state NMR and MD simulation was very powerful analytical tools to understand the local conformation and dynamics of the spider dragline silk in atomic resolution. In this review, the author will emphasize how solid-state NMR and MD simulation have contributed to a better understanding of the structure and dynamics in the spider dragline silks.

scholarly journals Solid-State NMR Spectroscopy: A Key Tool to Unravel the Supramolecular Structure of Drug Delivery Systems

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4142
Author(s):  
Marianna Porcino ◽  
Xue Li ◽  
Ruxandra Gref ◽  
Charlotte Martineau-Corcos
Keyword(s):  
Drug Delivery ◽  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Solid State Nmr ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Atomic Level ◽  
Core Shell ◽  
Comprehensive Understanding ◽  
The Past

In the past decades, nanosized drug delivery systems (DDS) have been extensively developed and studied as a promising way to improve the performance of a drug and reduce its undesirable side effects. DDSs are usually very complex supramolecular assemblies made of a core that contains the active substance(s) and ensures a controlled release, which is surrounded by a corona that stabilizes the particles and ensures the delivery to the targeted cells. To optimize the design of engineered DDSs, it is essential to gain a comprehensive understanding of these core–shell assemblies at the atomic level. In this review, we illustrate how solid-state nuclear magnetic resonance (ssNMR) spectroscopy has become an essential tool in DDS design.

Solid-state NMR studies of the molecular structure of Taxol

2006 ◽  
Vol 44 (6) ◽  
pp. 581-585 ◽  
Author(s):  
Yu Ho ◽  
Der-Lii M. Tzou ◽  
Feng-I Chu
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Nmr Studies

Unlocking the Molecular Structure of Fungal Melanin Using13C Biosynthetic Labeling and Solid-State NMR†

Biochemistry ◽  
2003 ◽  
Vol 42 (27) ◽  
pp. 8105-8109 ◽  
Author(s):  
Shiying Tian ◽  
Javier Garcia-Rivera ◽  
Bin Yan ◽  
Arturo Casadevall ◽  
Ruth E. Stark
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Fungal Melanin

scholarly journals Solid-state nuclear magnetic resonance characterization of the second generation of the UEC family of molecular sieves

2019 ◽  
Author(s):  
Heitor Secco Seleghini ◽  
Heloise de Oliveira Pastore ◽  
Fábio Aurélio Bonk
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Molecular Sieves ◽  
Solid State Nmr ◽  
Second Generation ◽  
3D Structures ◽  
Nuclear Magnetic

This work reports the characterization using solid-state NMR of the second generation of the UEC family of molecular sieves, such generation is composed by two tridimensional silicoaluminophosphates synthesized from a layered aluminophosphate (AlPO-CJ70). The 3D structures are analogous to SAPO-5 (UEC-4) and SAPO-15 (UEC-5), both were characterized using multinuclear solid-state NMR, 27Al-MQ-MAS and 29Si{27Al} TRAPDOR.

Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations

2014 ◽  
Vol 118 (19) ◽  
pp. 5119-5129 ◽  
Author(s):  
Sara K. Hansen ◽  
Mikkel Vestergaard ◽  
Lea Thøgersen ◽  
Birgit Schiøtt ◽  
Niels Chr. Nielsen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Solid State ◽  
Molecular Dynamics Simulations ◽  
Solid State Nmr ◽  
Nmr Spectra ◽  
Lipid Dynamics ◽  
Dynamics Simulations

scholarly journals Recent Advances in Solid-State Nuclear Magnetic Resonance Spectroscopy

2018 ◽  
Vol 11 (1) ◽  
pp. 485-508 ◽  
Author(s):  
Sharon E. Ashbrook ◽  
John M. Griffin ◽  
Karen E. Johnston
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Magnetic Resonance ◽  
Solid State Nmr ◽  
Spectral Lines ◽  
Atomic Scale ◽  
Resonance Spectroscopy ◽  
Diverse Range ◽  
Nuclear Magnetic

The sensitivity of nuclear magnetic resonance (NMR) spectroscopy to the local atomic-scale environment offers great potential for the characterization of a diverse range of solid materials. Despite offering more information than its solution-state counterpart, solid-state NMR has not yet achieved a similar level of recognition, owing to the anisotropic interactions that broaden the spectral lines and hinder the extraction of structural information. Here, we describe the methods available to improve the resolution of solid-state NMR spectra and the continuing research in this area. We also highlight areas of exciting new and future development, including recent interest in combining experiment with theoretical calculations, the rise of a range of polarization transfer techniques that provide significant sensitivity enhancements, and the progress of in situ measurements. We demonstrate the detailed information available when studying dynamic and disordered solids and discuss the future applications of solid-state NMR spectroscopy across the chemical sciences.

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