Structural Characterization of Tin in Toothpaste by Dynamic Nuclear Polarization Enhanced Sn Solid-state NMR Spectroscopy

Overview

Journal Nat Commun

Specialty Biology

Date 2023 Nov 17

PMID 37973961

Authors

Rick W Dorn

Scott L Carnahan

Chi-Yuan Cheng

Long Pan

Zhigang Hao

Aaron J Rossini

Affiliations

Soon will be listed here.

Abstract

Stannous fluoride (SnF) is an effective fluoride source and antimicrobial agent that is widely used in commercial toothpaste formulations. The antimicrobial activity of SnF is partly attributed to the presence of Sn(II) ions. However, it is challenging to directly determine the Sn speciation and oxidation state within commercially available toothpaste products due to the low weight loading of SnF (0.454 wt% SnF, 0.34 wt% Sn) and the amorphous, semi-solid nature of the toothpaste. Here, we show that dynamic nuclear polarization (DNP) enables Sn solid-state NMR experiments that can probe the Sn speciation within commercially available toothpaste. Solid-state NMR experiments on SnF and SnF show that F isotropic chemical shift and Sn chemical shift anisotropy (CSA) are highly sensitive to the Sn oxidation state. DNP-enhanced Sn magic-angle turning (MAT) 2D NMR spectra of toothpastes resolve Sn(II) and Sn(IV) by their Sn chemical shift tensor parameters. Fits of DNP-enhanced 1D H → Sn solid-state NMR spectra allow the populations of Sn(II) and Sn(IV) within the toothpastes to be estimated. This analysis reveals that three of the four commercially available toothpastes contained at least 80% Sn(II), whereas one of the toothpaste contained a significantly higher amount of Sn(IV).

Citing Articles

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PMID: 39238900 PMC: 11372825. DOI: 10.1021/acs.jpcc.4c03412.

Structural characterization of tin in toothpaste by dynamic nuclear polarization enhanced Sn solid-state NMR spectroscopy.

Dorn R, Carnahan S, Cheng C, Pan L, Hao Z, Rossini A Nat Commun. 2023; 14(1):7423.

PMID: 37973961 PMC: 10654397. DOI: 10.1038/s41467-023-42816-z.

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