Unterstützung zur Entwicklung des Test-Design  sowie statistischer Auswertung zu diesem richtungweisenden Whitepaper.

Autoren:  Rofida Wahman, Andres Sauvêtre, Peter Schröder, Stefan Moser and Thomas Letzel

Auswerten, vergleichen, Evidence, Design-Erstellung, Validität, SIMCA, OPLS, MOCA, MVDA 

Einige Diagramme und Visualisierungen aus der Whitepaper.


DA-OPLS- Analysis

Identification and validtation model 

S-Kurve Plot

for Identification of down- and upscaled metabolites


Score and loading plots for cluster analysis


Score and loading scatteren plots for factor analysis

Discriminant analysis

Identification of metabolites

Plants produce a huge number of functionally and chemically different natural products that play an important role in linking the plant with the adjacent environment. Plants can also absorb and transform external organic compounds (xenobiotics). Currently there are only a few studies concerning the effects of xenobiotics and their transformation products on plant metabolites using a mass spectrometric untargeted screening strategy. This study was designed to investigate the changes of the Phragmites australis metabolome following/after diclofenac or carbamazepine incubation, using a serial coupling of reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) combined with accurate high-resolution time-of-flight mass spectrometer (TOF-MS). An untargeted screening strategy of metabolic fingerprints was developed to purposefully compare samples from differently treated P. australis plants, revealing that P. australis responded to each drug differently. When solvents with significantly different polarities were used, the metabolic profiles of P. australis were found to change significantly. For instance, the production of polyphenols (such as quercetin) in the plant increased after diclofenac incubation. Moreover, the pathway of unsaturated organic acids became more prominent, eventually as a reaction to protect the cells against reactive oxygen species (ROS). Hence, P. australis exhibited an adaptive mechanism to cope with each drug. Consequently, the untargeted screening approach is essential for understanding the complex response of plants to xenobiotics.

Erfahrungen & Bewertungen zu Stefan Moser Process Optimization