Derivatization and rapid GC-MS screening of chlorides relevant to the Chemical Weapons Convention in organic liquid samples.

A simple derivatization technique was developed for the analysis of seven Schedule 3 chemicals and one Schedule 2 chemical listed in the Chemical Weapons Convention (CWC). Phosgene, phosphorus oxychloride, phosphorus trichloride, phosphorus pentachloride, thionyl chloride, sulfur monochloride and sulfur dichloride (Schedule 3) as well as arsenic trichloride (Schedule 2) were derivatized using 1-propanol in 40% pyridine solution for analysis with gas chromatography-mass spectrometry (GC-MS). Derivatization temperature and concentration of the derivatization solution were optimized for maximum derivatization recovery.

pH-Dependent Piecewise Linear Correlation of H,P Chemical Shifts: Application in NMR Identification of Nerve Agent Metabolites in Urine Samples.

The NMR-observable nuclei of the acidic and basic compounds experience pH dependence in chemical shift. This phenomenon can be exploited in NMR titrations to determine p K values of compounds, or in pH measurement of solutions using dedicated pH reference compounds. On the other hand, this sensitivity can also cause problems in, for example, metabolomics, where slight changes in pH result in significant difficulties for peak alignment between spectra of set of samples for comparative analysis.

Determination of trace amounts of chemical warfare agent degradation products in decontamination solutions with NMR spectroscopy.

Decontamination solutions are used for an efficient detoxification of chemical warfare agents (CWAs). As these solutions can be composed of strong alkaline chemicals with hydrolyzing and oxidizing properties, the analysis of CWA degradation products in trace levels from these solutions imposes a challenge for any analytical technique. Here, we present results of application of nuclear magnetic resonance spectroscopy for analysis of trace amounts of CWA degradation products in several untreated decontamination solutions.