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²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores

Steinrücken, Elisa ; Wissel, Till ; Brodrecht, Martin ; Breitzke, Hergen ; Regentin, Julia ; Buntkowsky, Gerd ; Vogel, Michael (2023)
²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores.
In: The Journal of Chemical Physics, 2021, 154 (11)
doi: 10.26083/tuprints-00024214
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: ²H NMR study on temperature-dependent water dynamics in amino-acid functionalized silica nanopores
Language: English
Date: 13 July 2023
Place of Publication: Darmstadt
Year of primary publication: 2021
Publisher: AIP Publishing
Journal or Publication Title: The Journal of Chemical Physics
Volume of the journal: 154
Issue Number: 11
Collation: 13 Seiten
DOI: 10.26083/tuprints-00024214
Corresponding Links:
Origin: Secondary publication service

We prepare various amino-acid functionalized silica pores with diameters of ∼6 nm and study the temperature-dependent reorientation dynamics of water in these confinements. Specifically, we link basic Lys, neutral Ala, and acidic Glu to the inner surfaces and combine ²H nuclear magnetic resonance spin–lattice relaxation and line shape analyses to disentangle the rotational motions of the surfaces groups and the crystalline and liquid water fractions coexisting below partial freezing. Unlike the crystalline phase, the liquid phase shows reorientation dynamics, which strongly depends on the chemistry of the inner surfaces. The water reorientation is slowest for the Lys functionalization, followed by Ala and Glu and, finally, the native silica pores. In total, the rotational correlation times of water at the different surfaces vary by about two orders of magnitude, where this span is largely independent of the temperature in the range ∼200–250 K.

Uncontrolled Keywords: Molecular dynamics, Glassy dynamics, Mesoporous material, Crystalline solids, Nanomaterials, Deuterium, Nuclear magnetic resonance spectroscopy, Amino acid, Peptides
Identification Number: 114702
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-242140
Additional Information:

Supplementary Material: https://t1p.de/u5cxl

Classification DDC: 500 Science and mathematics > 530 Physics
500 Science and mathematics > 540 Chemistry
Divisions: 05 Department of Physics > Institute for Condensed Matter Physics > Molecular dynamics of condensed matter
07 Department of Chemistry > Physical Chemistry
07 Department of Chemistry > Eduard Zintl-Institut > Physical Chemistry
Date Deposited: 13 Jul 2023 12:42
Last Modified: 04 Oct 2023 12:04
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/24214
PPN: 512009090
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