Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules

The structural stability and solution geometry of zinc-seamed-C-propylpyrogallol[4]arene dimers has been studied in solution using in situ neutron scattering and 2D-DOSY NMR methods. In comparison with the structures of the analogous copper-/nickel-seamed dimeric entities, the spherical geometry of...

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Autores principales: Kumari, Harshita, Wycoff, Wei G., M. Mayhan, Collin, Kline, Steven R., So, Joshua R., Deakyne, Carol A., Adams, John E., Atwood, Jerry L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693989/
https://www.ncbi.nlm.nih.gov/pubmed/35424267
http://dx.doi.org/10.1039/d0ra10053f
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author Kumari, Harshita
Wycoff, Wei G.
M. Mayhan, Collin
Kline, Steven R.
So, Joshua R.
Deakyne, Carol A.
Adams, John E.
Atwood, Jerry L.
author_facet Kumari, Harshita
Wycoff, Wei G.
M. Mayhan, Collin
Kline, Steven R.
So, Joshua R.
Deakyne, Carol A.
Adams, John E.
Atwood, Jerry L.
author_sort Kumari, Harshita
collection PubMed
description The structural stability and solution geometry of zinc-seamed-C-propylpyrogallol[4]arene dimers has been studied in solution using in situ neutron scattering and 2D-DOSY NMR methods. In comparison with the structures of the analogous copper-/nickel-seamed dimeric entities, the spherical geometry of the PgC(3)Zn species (R = 9.4 Å; diffusion coefficient = 1.05 × 10(−10) m(2) s(−1)) is larger due to the presence of ligands at the periphery in solution. This enhanced radius in solution due to ligation is also consistent with the findings of model molecular dynamics simulations of the zinc-seamed dimers.
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spelling pubmed-86939892022-04-13 Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules Kumari, Harshita Wycoff, Wei G. M. Mayhan, Collin Kline, Steven R. So, Joshua R. Deakyne, Carol A. Adams, John E. Atwood, Jerry L. RSC Adv Chemistry The structural stability and solution geometry of zinc-seamed-C-propylpyrogallol[4]arene dimers has been studied in solution using in situ neutron scattering and 2D-DOSY NMR methods. In comparison with the structures of the analogous copper-/nickel-seamed dimeric entities, the spherical geometry of the PgC(3)Zn species (R = 9.4 Å; diffusion coefficient = 1.05 × 10(−10) m(2) s(−1)) is larger due to the presence of ligands at the periphery in solution. This enhanced radius in solution due to ligation is also consistent with the findings of model molecular dynamics simulations of the zinc-seamed dimers. The Royal Society of Chemistry 2021-01-15 /pmc/articles/PMC8693989/ /pubmed/35424267 http://dx.doi.org/10.1039/d0ra10053f Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Kumari, Harshita
Wycoff, Wei G.
M. Mayhan, Collin
Kline, Steven R.
So, Joshua R.
Deakyne, Carol A.
Adams, John E.
Atwood, Jerry L.
Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title_full Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title_fullStr Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title_full_unstemmed Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title_short Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules
title_sort solution structure of zinc-seamed c-alkylpyrogallol[4]arene dimeric nanocapsules
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693989/
https://www.ncbi.nlm.nih.gov/pubmed/35424267
http://dx.doi.org/10.1039/d0ra10053f
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