@article{MonakhovaDiehl2021,
  author    = {Monakhova, Yulia and Diehl, Bernd W.K.},
  title     = {Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard},
  series = {Talanta},
  volume    = {222},
  journal   = {Talanta},
  number    = {Article number: 121504},
  publisher = {Elsevier},
  isbn      = {0039-9140},
  doi       = {10.1016/j.talanta.2020.121504},
  year      = {2021},
  abstract  = {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.).},
  language  = {en}
}
@article{BurmistrovaSobolevaMonakhova2021,
  author    = {Burmistrova, Natalia A. and Soboleva, Polina M. and Monakhova, Yulia},
  title     = {Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication?},
  series = {Journal of Pharmaceutical and Biomedical Analysis},
  volume    = {194},
  journal   = {Journal of Pharmaceutical and Biomedical Analysis},
  number    = {Article number: 113811},
  publisher = {Elsevier},
  address   = {Amsterdam},
  isbn      = {0731-7085},
  doi       = {10.1016/j.jpba.2020.113811},
  year      = {2021},
  abstract  = {The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares - discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA.},
  language  = {en}
}
@article{LowisFergusonPaulssenetal.2021,
  author    = {Lowis, Carsten and Ferguson, Simon and Paulßen, Elisabeth and Hoehr, Cornelia},
  title     = {Improved Sc-44 production in a siphon-style liquid target on a medical cyclotron},
  series = {Applied Radiation and Isotopes},
  volume    = {172},
  journal   = {Applied Radiation and Isotopes},
  number    = {Art. 109675},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0969-8043},
  doi       = {10.1016/j.apradiso.2021.109675},
  year      = {2021},
  language  = {en}
}