TY  - JOUR
A1  - Monakhova, Yulia
A1  - Diehl, Bernd W.K.
T1  - Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard
JF  - Talanta
N2  - Quantitative nuclear magnetic resonance (qNMR) is routinely performed by the internal or external standardization. The manuscript describes a simple alternative to these common workflows by using NMR signal of another active nuclei of calibration compound. For example, for any arbitrary compound quantification by NMR can be based on the use of an indirect concentration referencing that relies on a solvent having both 1H and 2H signals. To perform high-quality quantification, the deuteration level of the utilized deuterated solvent has to be estimated.

In this contribution the new method was applied to the determination of deuteration levels in different deuterated solvents (MeOD, ACN, CDCl3, acetone, benzene, DMSO-d6). Isopropanol-d6, which contains a defined number of deuterons and protons, was used for standardization. Validation characteristics (precision, accuracy, robustness) were calculated and the results showed that the method can be used in routine practice. Uncertainty budget was also evaluated. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and can be applied in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).
KW  - qNMR
KW  - Deuterium NMR
KW  - Deuterated solvents
KW  - Standardization
Y1  - 2021
SN  - 0039-9140
U6  - http://dx.doi.org/10.1016/j.talanta.2020.121504
VL  - 222
IS  - Article number: 121504
PB  - Elsevier
ER  -