Development of a protocol to measure volatile organic compounds in human breath: a comparison of rebreathing and on-line single exhalations using proton transfer reaction mass spectrometry.

Analysis of volatile organic compounds (VOCs) on human breath has great potential as a non-invasive diagnostic technique. It is, therefore, surprising that no single, standard procedure has evolved for breath sampling. Here we present a novel repeated-cycle isothermal rebreathing method, where one cycle comprises five rebreaths, which could be adopted for breath analysis of VOCs. For demonstration purposes, we present measurements of three common breath VOCs: isoprene, acetone and methanol. Their concentrations measured in breath are shown to increase with number of rebreaths until a plateau value is reached by at least 20 rebreaths. The average ratio of plateau concentration to single mixed expired breath concentration was found to be 1.92 +/- 0.57 for isoprene, 1.25 +/- 0.13 for acetone and 1.12 +/- 0.12 for methanol (mean +/- standard deviation). Measurements from on-line single exhalations are presented which demonstrate a positive slope in the time-dependent expirograms of isoprene and acetone. The slope of the isoprene expirogram is persistently linear and the end-expired concentration of isoprene is highly variable in the same subject depending on the duration of exhalation. End-expired values of acetone are not as sensitive to the length of exhalation, and are the same to within measurement uncertainty for any duration of exhalation for any subject. It is concluded that uncontrolled single on-line exhalations are not suitable for the reliable measurement of isoprene in the breath and that rebreathing can be the basis of an easily tolerated protocol for the reliable collection of breath samples.

A new method of body habitus correction for total body potassium measurements.

This paper describes an accurate and time-efficient method for the determination of total body potassium via a combination of measurements in the Birmingham whole body counter and the use of the Monte Carlo n-particle (MCNP) simulation code. In developing this method, MCNP has also been used to derive values for some components of the total measurement uncertainty which are difficult to quantify experimentally. A method is proposed for MCNP-assessed body habitus corrections based on a simple generic anthropomorphic model, scaled for individual height and weight. The use of this model increases patient comfort by reducing the need for comprehensive anthropomorphic measurements. The analysis shows that the total uncertainty in potassium weight determination by this whole body counting methodology for water-filled phantoms with a known amount of potassium is 2.7% (SD). The uncertainty in the method of body habitus correction (applicable also to phantom-based methods) is 1.5% (SD). It is concluded that this new strategy provides a sufficiently accurate model for routine clinical use.