Atomic-level structure determination of amorphous molecular solids by NMR

Autor: Manuel Cordova, Pinelopi Moutzouri, Sten O. Nilsson Lill, Alexander Cousen, Martin Kearns, Stefan T. Norberg, Anna Svensk Ankarberg, James McCabe, Arthur C. Pinon, Staffan Schantz, Lyndon Emsley

Publikováno v: Nature Communications, Vol 14, Iss 1, Pp 1-12 (2023)

Abstract Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solid

Externí odkaz: https://doaj.org/article/cb6c51aa8ce345a0b57db2636489b8ea

Advanced characterization of regioselectively substituted methylcellulose model compounds by DNP enhanced Solid-State NMR spectroscopy

Autor: Michel Bardet, Dörthe Jakobi, Pierrick Berruyer, Lyndon Emsley, Martin Gericke, Pinelopi Moutzouri, Thomas Heinze, Staffan Schantz, Leif Karlson

Dynamic Nuclear Polarization MAS NMR is introduced to characterize model methylcellulose ether compounds at natural isotopic abundance. In particular an approach is provided to determine the position of the methyl ether group within the repeating uni

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3711b6937236c08a614db458c7ae7ea3

Core–Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR

Autor: Lyndon Emsley, Urban Skantze, Jasmine Viger-Gravel, Staffan Schantz, Arthur C. Pinon

Publikováno v: Pinon, A C, Skantze, U, Viger-Gravel, J, Schantz, S & Emsley, L 2018, ' Core-Shell Structure of Organic Crystalline Nanoparticles Determined by Relayed Dynamic Nuclear Polarization NMR ', Journal of Physical Chemistry A, vol. 122, no. 44, pp. 8802-8807 . https://doi.org/10.1021/acs.jpca.8b08630

The structure of crystalline nanoparticles (CNPs) is determined using dynamic nuclear polarization (DNP) enhanced NMR spectroscopy experiments. The CNPs are composed of a crystalline core containing an active pharmaceutical ingredient (compound P), c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92cc4b58d66b48c19ce8e740764b4013
https://doi.org/10.1021/acs.jpca.8b08630

Quantification of magic angle spinning dynamic nuclear polarization NMR spectra

Autor: Andrea Bertarello, Lyndon Emsley, Elisabetta Chiarparin, Malvika Sardana, Staffan Schantz, Urban Skantze, Charles S. Elmore, Markus Schade, Pierrick Berruyer, Samiksha Sardana

Publikováno v: Journal of Magnetic Resonance. 329:107030

Dynamic nuclear polarization (DNP) allows to dramatically enhance the sensitivity of magic angle spinning nuclear magnetic resonance (MAS NMR). DNP experiments usually rely on the detection of low-γ nuclei hyperpolarized from 1H with the use of cros

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::401e6c088ad303328338c9dfd4631a84
https://doi.org/10.1016/j.jmr.2021.107030

13C NMR assignments of regenerated cellulose from solid-state 2D NMR spectroscopy

Autor: Staffan Schantz, Alexander Idström, Lars Nordstierna, Paul Gatenholm, Bradley F. Chmelka, Johan Sundberg

Publikováno v: Carbohydrate Polymers. 151:480-487

From the assignment of the solid-state (13)C NMR signals in the C4 region, distinct types of crystalline cellulose, cellulose at crystalline surfaces, and disordered cellulose can be identified and quantified. For regenerated cellulose, complete (13)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f6e3b30a189b0d9eda39bc4f086b666
https://doi.org/10.1016/j.carbpol.2016.05.107