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Batch-Specific Discrimination Using Nuclear Quadrupole Resonance Spectroscopy

Kyriakidou, Georgia; Jakobsson, Andreas LU ; Althoefer, Kaspar and Barras, Jamie (2015) In Analytical Chemistry 87(7). p.3806-3811
Abstract
In this paper, we report on the identification of batches of analgesic paracetamol (acetaminophen) tablets using nitrogen-14 nuclear quadrupole resonance spectroscopy (N-14 NQR). The high sensitivity of NQR to the electron charge distribution surrounding the quadrupolar nucleus enables the unique characterization of the crystal structure of the material. Two hypothesis were tested on batches of the same brand: the within the same batch variability and the difference between batches that varied in terms of their batch number and expiry date. The multivariate analysis of variance (MANOVA) did not provide any within-batches variations, indicating the natural deviation of a medicine manufactured under the same conditions. Alternatively, the... (More)
In this paper, we report on the identification of batches of analgesic paracetamol (acetaminophen) tablets using nitrogen-14 nuclear quadrupole resonance spectroscopy (N-14 NQR). The high sensitivity of NQR to the electron charge distribution surrounding the quadrupolar nucleus enables the unique characterization of the crystal structure of the material. Two hypothesis were tested on batches of the same brand: the within the same batch variability and the difference between batches that varied in terms of their batch number and expiry date. The multivariate analysis of variance (MANOVA) did not provide any within-batches variations, indicating the natural deviation of a medicine manufactured under the same conditions. Alternatively, the statistical analysis revealed a significant discrimination between the different batches of paracetamol tablets. Therefore, the NQR signal is an indicator of factors that influence the physical and chemical integrity of the material. Those factors might be the aging of the medicine, the manufacturing, or storage conditions. The results of this study illustrate the potential of NQR as promising technique in applications such as detection and authentication of counterfeit medicines. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Analytical Chemistry
volume
87
issue
7
pages
3806 - 3811
publisher
The American Chemical Society
external identifiers
  • wos:000352659500036
  • scopus:84926670163
ISSN
1520-6882
DOI
10.1021/ac5044658
language
English
LU publication?
yes
id
dc2af67b-7076-4589-81e9-dc7d309cce5f (old id 5401371)
date added to LUP
2015-05-19 11:53:52
date last changed
2017-11-12 03:05:23
@article{dc2af67b-7076-4589-81e9-dc7d309cce5f,
  abstract     = {In this paper, we report on the identification of batches of analgesic paracetamol (acetaminophen) tablets using nitrogen-14 nuclear quadrupole resonance spectroscopy (N-14 NQR). The high sensitivity of NQR to the electron charge distribution surrounding the quadrupolar nucleus enables the unique characterization of the crystal structure of the material. Two hypothesis were tested on batches of the same brand: the within the same batch variability and the difference between batches that varied in terms of their batch number and expiry date. The multivariate analysis of variance (MANOVA) did not provide any within-batches variations, indicating the natural deviation of a medicine manufactured under the same conditions. Alternatively, the statistical analysis revealed a significant discrimination between the different batches of paracetamol tablets. Therefore, the NQR signal is an indicator of factors that influence the physical and chemical integrity of the material. Those factors might be the aging of the medicine, the manufacturing, or storage conditions. The results of this study illustrate the potential of NQR as promising technique in applications such as detection and authentication of counterfeit medicines.},
  author       = {Kyriakidou, Georgia and Jakobsson, Andreas and Althoefer, Kaspar and Barras, Jamie},
  issn         = {1520-6882},
  language     = {eng},
  number       = {7},
  pages        = {3806--3811},
  publisher    = {The American Chemical Society},
  series       = {Analytical Chemistry},
  title        = {Batch-Specific Discrimination Using Nuclear Quadrupole Resonance Spectroscopy},
  url          = {http://dx.doi.org/10.1021/ac5044658},
  volume       = {87},
  year         = {2015},
}