October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar

High sensitivity ¹³C 1D DEPT-135 NMR for Component Analysis

Istvan Pelczer

Abstract

¹³C NMR data are well known for better dispersion and significantly less sensitivity to environmental effects (pH, solvent, temperature, etc.), than those of protons. Yet ¹H has remained the favorable nucleus for identification and/or high-throughput analysis of small and medium sized molecules, and for characterization of complex mixtures, such as those of metabolites - in large part due to sensitivity concerns.

An argument will be presented for advantageous and competitive use of direct detection ¹³C NMR for small molecular studies, primarily for component analysis in mixtures. In a "package deal" the 1D DEPT-135 ¹³C NMR offers competitive sensitivity and yet sufficient information for component identification. With optimized hardware and with the help of sophisticated spectrum simulation and database tools, such as those in the ACD/Labs software, ¹³C NMR may become one of the most powerful tools to assess components in complicated mixtures, such as metabolic extracts and biofluids, for example.

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