NMR assignment of the in vivo daphnia magna metabolome

The Analyst
Maryam Tabatabaei AnarakiAndré J Simpson

Abstract

Daphnia (freshwater fleas) are among the most widely used organisms in regulatory aquatic toxicology/ecology, while their recent listing as an NIH model organism is stimulating research for understanding human diseases and processes. Daphnia are small enough to fit inside high field NMR spectrometers and can be kept alive indefinitely using flow systems that deliver food and oxygen. As such, in vivo NMR holds the potential to monitor when/if environmental stress is occurring, understand "why" chemicals are toxic (biochemical pathways impacted and toxic-mode-of-action), and differentiate between a temporary flux response (i.e. return to homeostasis) and a permanent change in biochemistry (likely a precursor to disease). At present however, such studies are limited as the in vivo NMR data of Daphnia are highly complex and the lack of spectral assignments makes extracting metabolic information difficult. In this study, Daphnia are 13C enriched to >97% 13C and numerous 1H and 13C 1D, 2D, and 3D NMR approaches are combined to provide, as complete as possible, an assignment of the Daphnia magna metabolome in vivo. Assignments are transferred (where possible) back to line narrowed susceptibility suppressed 1H 1D NMR spectra in order t...Continue Reading

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Methods Mentioned

BETA
NMR
environmental stress

Software Mentioned

COSY
Analysis of MIXtures ( AMIX
Mnova
HETCOR
TOCSY
GARP

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