TY  - JOUR
A1  - Becht, Alexander
A1  - Schollmayer, Curd
A1  - Monakhova, Yulia
A1  - Holzgrabe, Ulrike
T1  - Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis
JF  - Analytical and Bioanalytical Chemistry
N2  - Most drugs are no longer produced in their own countries by the pharmaceutical companies, but by contract manufacturers or at manufacturing sites in countries that can produce more cheaply. This not only makes it difficult to trace them back but also leaves room for criminal organizations to fake them unnoticed. For these reasons, it is becoming increasingly difficult to determine the exact origin of drugs. The goal of this work was to investigate how exactly this is possible by using different spectroscopic methods like nuclear magnetic resonance and near- and mid-infrared spectroscopy in combination with multivariate data analysis. As an example, 56 out of 64 different paracetamol preparations, collected from 19 countries around the world, were chosen to investigate whether it is possible to determine the pharmaceutical company, manufacturing site, or country of origin. By means of suitable pre-processing of the spectra and the different information contained in each method, principal component analysis was able to evaluate manufacturing relationships between individual companies and to differentiate between production sites or formulations. Linear discriminant analysis showed different results depending on the spectral method and purpose. For all spectroscopic methods, it was found that the classification of the preparations to their manufacturer achieves better results than the classification to their pharmaceutical company. The best results were obtained with nuclear magnetic resonance and near-infrared data, with 94.6%/99.6% and 98.7/100% of the spectra of the preparations correctly assigned to their pharmaceutical company or manufacturer.
KW  - IR
KW  - Manufacturer
KW  - Linear discriminant analysis
KW  - Principal component analysis
Y1  - 2021
U6  - http://dx.doi.org/10.1007/s00216-021-03249-z
SN  - 1618-2650
VL  - 413
SP  - 3107
EP  - 3118
PB  - Springer Nature
ER  - 
TY  - BOOK
A1  - Baüer, Herbert
A1  - Gilch, Heinz Gerhard
A1  - Rath, Walter
A1  - Schümann, Uwe
T1  - Moisture-curing polyurethane-based hot-melt compositions = Feuchthärtbare Heisschmelz-Zusammensetzungen auf Polyurethanbasis
Y1  - 1990
N1  - EP0386879 18.10.1990 Veröffentlichungstag im Patentblatt  ; Volltext recherchierbar über
PB  - Europäisches Patentamt
CY  - München
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Tillmann, U.
A1  - Aletsee, L.
T1  - Distribution of Carbon Among Photosynthetic End Products in the Bloom-Forming Arctic Diatom Thalassiosira antarctica COMBER / Tillmann, U. ; Baumann, M.E.M. ; Aletsee, L.
JF  - Polar Biology. 10 (1989), H. 3
Y1  - 1989
SN  - 0722-4060
SP  - 231
EP  - 238
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Thomas, D.
A1  - Gleitz, M.
T1  - Efficiency of carbon assimilation and photoacclimation in a small unicellular Chaetoceros species from the Weddel Sea (Antarctica): Influence of temperature and irridiance / Thomas, D. ; Baumann, M.E.M. ; Gleitz, M.
JF  - Journal of Experimental Marine Biology and Ecology. 157 (1992), H. 2
Y1  - 1992
SN  - 0022-0981
SP  - 195
EP  - 209
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Semeneh, M.
A1  - Dehairs, F.
A1  - Elskens, M.
T1  - Nitrogen uptake regime and phytoplankton community structure in the Southern Ocean / Semeneh, M. ; Dehairs, F. ; Elskens, M. ; Baumann, M.E.M. ; Kopczynska, E.E. ; Lancelot, C. ; Goeyens, L.
JF  - Journal of Marine Systems. 17 (1998), H. 1-4
Y1  - 1998
SN  - 0924-7963
SP  - 159
EP  - 177
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Rousseau, V.
A1  - Vaulot, D.
A1  - Casotti, R.
T1  - The life cycle of Phaeocystis (Prymnesiophycae): evidence and hypotheses / Rousseau, V. ; Vaulot, D. ; Casotti, R. ; Cariou, V. ; Lenz, J. ; Gunkel, J. ; Baumann, M.
JF  - Journal of Marine Systems. 5 (1994), H. 1
Y1  - 1994
SN  - 0924-7963
SP  - 23
EP  - 39
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Peschel, G.
T1  - Aktuelle Entwicklungen zur Luftreinhaltung in der Stadt Aachen
JF  - Wechselwirkung : Wissenschaft & vernetztes Denken
Y1  - 1998
SN  - 0172-1623
VL  - 20
IS  - 91
SP  - 22
EP  - 29
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Lara, R.J.
A1  - Hubberten, D.N.
A1  - Thomas, D.N.
T1  - Dissolved organic matter studies in enclosed systems: Application of hydophobic fractionation for the assessment of organic nitrogen dynamics / Lara, R.J. ; Hubberten, U. ; Thomas, D.N. ; Baumann, M.E.M. ; Kattner, G.
JF  - Journal of Marine Systems. 13 (1997), H. 1-4
Y1  - 1997
SN  - 0924-7963
SP  - 155
EP  - 161
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Lancelot, C.
A1  - Brandini, F.
A1  - Sakshaug, E.
T1  - The taxonomic identity of the cosmopolitan prymnesiophyte Phaeocystis, a morphological and ecophysiological approach / Baumann, M.E.M. ; Lancelot, C. ; Brandini, F. ; Sakshaug, E. ; John M.
JF  - Journal of Marine Systems. 5 (1994), H. 1
Y1  - 1994
SN  - 0924-7963
SP  - 5
EP  - 22
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Krämer, M.
T1  - Marine Planktonalgen der Arktis II. Diatomeen / Baumann, M. ; Krämer, M.
JF  - Mikrokosmos. 75 (1986), H. 10
Y1  - 1986
SN  - 0026-3680
SP  - 306
EP  - 310
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Jahnke, J.
T1  - Die marine Planktonalge Phaeocystis globosa / Jahnke, J. ; Baumann, M.
JF  - Mikrokosmos. 75 (1986), H. 12
Y1  - 1986
SN  - 0026-3680
SP  - 357
EP  - 359
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Jahnke, J.
T1  - Chemical and Physical Effects on the Shape and Growth of the Diatom Biddulphia sinensis GREVILLE in Batch Cultures: A Contribution to Bioindication in Plankton Ecology / Jahnke, J. ; Baumann, M.
JF  - Hydrobiological Bulletin . 17 (1983), H. 1
Y1  - 1983
SN  - 0165-1404
SP  - 5
EP  - 20
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Jahnke, J.
T1  - Marine Planktonalgen der Arktis I. Die Haptophycee Phaeocystis pouchetii / Baumann, M. ; Jahnke, J.
JF  - Mikrokosmos. 75 (1986), H. 9
Y1  - 1986
SN  - 0026-3680
SP  - 262
EP  - 265
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Hirche, H.-J.
A1  - Kattner, G.
A1  - Gradinger, R.
T1  - Plankton distribution and the impact of copepod grazing on primary production in Fram Strait, Greenland Sea / Hirche, H.-J. ; Baumann, M.E.M. ; Kattner, G.; Gradinger, R.
JF  - Journal of Marine Systems. 2 (1991), H. 3-4
Y1  - 1991
SN  - 0924-7963
SP  - 477
EP  - 494
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Gronsfeld, A.
A1  - Schütz-Lembach, G.
T1  - Nachdenklichkeit über Nachhaltigkeit : wie uns ein neues Wort alte Probleme neu entdecken läßt
JF  - Wechselwirkung : Wissenschaft & vernetztes Denken
Y1  - 1997
SN  - 0172-1623
VL  - 19
IS  - 87
SP  - 6
EP  - 11
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Gradinger, R.
T1  - Distribution of Phytoplankton Communities in Relation to the Large Scale Hydrographical Regime in the Fram Strait 1984 / Gradinger, R. ; Baumann, M.E.M.
JF  - Marine Biology. 111 (1991), H. 2
Y1  - 1991
SN  - 0025-3162
SP  - 311
EP  - 321
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Goeyens, L.
A1  - Tréguer, P.
A1  - Baeyens, W.
T1  - The leading role of ammonium in the nitrogen uptake regime of Southern Ocean marginal ice zones / Goeyens, L. ; Tréguer, P. ; Baumann, M.E.M. ; Baeyens, W. ; Dehairs, F.
JF  - Journal of Marine Systems. 6 (1995), H. 4
Y1  - 1995
SN  - 0924-7963
SP  - 345
EP  - 361
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Goeyens, L.
A1  - Semeneh, M.
A1  - Elskens, M.
T1  - Phytoplankton nutrient utilisation and nutrient signature in the Southern Ocean / Goeyens, L. ; Semeneh, M. ; Baumann, M.E.M. ; Elskens, M. ; Shopova, D. ; Dehairs, F.
JF  - Journal of Marine Systems. 17 (1998), H. 1-4
Y1  - 1998
SN  - 0924-7963
SP  - 143
EP  - 157
ER  - 
TY  - JOUR
A1  - Baumann, Marcus
A1  - Brandini, Frederico
A1  - Staubes, Regina
T1  - The influence of light and temperature on carbonspecific DMS release by cultures of Phaeocystis antarctica and three antarctic diatoms / Baumann, Marcus E.M. ; Brandini, Frederico ; Staubes, Regina
JF  - Marine Chemistry. 45 (1994), H. 1-2
Y1  - 1994
SN  - 0304-4203
SP  - 129
EP  - 136
ER  - 
TY  - CHAP
A1  - Baumann, Marcus
ED  - Hempel, G.
T1  - Primary production and phytoplankton growth in the marginal ice zone of the Fram Strait and the interpretation of the field data with autecological experiments (Abstract)
T2  - Oceanography and biology of Arctic seas : selected papers from the ICES Symposium on Marine Sciences of the Arctic and Subarctic Regions, held in Santander, 28 - 30 September 1987. (Rapports et procès-verbaux des réunions / Conseil International pour l'Exploration de la Mer ; 188)
Y1  - 1989
SP  - 128
PB  - International Council for the Exploration of the Sea
CY  - Copenhagen
ER  -