Analytical Chemistry

# Publications/

Hyphenating Centrifugal Partition Chromatography with Nuclear Magnetic Resonance through Automated Solid Phase Extraction

Journal: Analytical Chemistry (RoMEO status: White) Published on
Categories: publications
Subjects: Analytical Chemistry Preparative chemistry Reverse engineering Hyphenation CPC NMR SPE

Centrifugal partition chromatography (CPC) and all countercurrent separation apparatus provide chemists with efficient ways to work with complex matrixes, especially in the domain of natural products. However, despite the great advances provided by these techniques, more efficient ways of analyzing the output flow would bring further enhancement. This study describe a hyphenated approach made by coupling NMR with CPC through a hybrid-indirect coupling made possible by using a solid phase extraction (SPE) apparatus intended for high-pressure liquid chromatography (HPLC)-NMR hyphenation.

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# Publications/

Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication

Journal: Analytical Chemistry (RoMEO status: White) Published on
Categories: publications
Subjects: Pharmacognosy Phytochemistry MS Fragmentation Molecular Networking Virtual pharmacognosy

Dereplication represents a key step for rapidly identifying known secondary metabolites in complex biological matrices. In this context, liquid-chromatography coupled to high resolution mass spectrometry (LC-HRMS) is increasingly used and, via untargeted data-dependent MS/MS experiments, massive amounts of detailed information on the chemical composition of crude extracts can be generated. An efficient exploitation of such data sets requires automated data treatment and access to dedicated fragmentation databases. Various novel bioinformatics approaches such as molecular networking (MN) and in-silico fragmentation tools have emerged recently and provide new perspective for early metabolite identification in natural products (NPs) research.

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