Quantitative Evaluation of Broadband Photoacoustic Spectroscopy in the Infrared with an Optical Parametric Oscillator.

We evaluate the spectral resolution and the detection thresholds achievable for a photoacoustic spectroscopy (PAS) system in the broadband infrared wavelength region 3270 n m ≲ λ ≲ 3530 n m driven by a continuous wave optical parametric oscillator (OPO) with P ¯ ≈ 1.26 W . The absorption spectra, I PAS ( λ i ) , for diluted propane, ethane and methane test gases at low concentrations ( c ∼ 100 ppm ) were measured for ∼1350 discrete wavelengths λ i . The I PAS ( λ i ) spectra were then compared to the high resolution cross section data, σ FTIR , obtained by Fourier Transform Infrared Spectroscopy published in the HITRAN database. Deviations of 7.1(6)% for propane, 8.7(11)% for ethane and 15.0(14)% for methane with regard to the average uncertainty between I PAS ( λ i ) and the expected reference values based on σ FTIR were recorded. The characteristic absorption wavelengths λ res can be resolved with an average resolution of δ λ res ∼ 0.08 nm . Detection limits range between 7.1 ppb (ethane) to 13.6 ppb (methane). In an additional step, EUREQA, an artificial intelligence (AI) program, was successfully applied to deconvolute simulated PAS spectra of mixed gas samples at low limits of detection. The results justify a further development of PAS technology to support e.g., biomedical research.

Multivariate Analysis as a Tool to Identify Concentrations from Strongly Overlapping Gas Spectra.

We applied a multivariate analysis (MVA) to spectroscopic data of gas mixtures in the mid-IR in order to calculate the concentrations of the single components which exhibit strongly overlapping absorption spectra. This is a common challenge in broadband spectroscopy. Photoacoustic (PA) measurements of different volatile organic compounds (VOCs) in the wavelength region of 3250 nm to 3550 nm served as the exemplary detection technique. Partial least squares regression (PLS) was used to calculate concentrations from the PA spectra. After calibration, the PLS model was able to determine concentrations of single VOCs with a relative accuracy of 2.60%.

Photoacoustic Spectroscopy for the Determination of Lung Cancer Biomarkers-A Preliminary Investigation.

With 1.6 million deaths per year, lung cancer is one of the leading causes of death worldwide. One reason for this high number is the absence of a preventive medical examination method. Many diagnoses occur in a late cancer stage with a low survival rate. An early detection could significantly decrease the mortality. In recent decades, certain substances in human breath have been linked to certain diseases. Different studies show that it is possible to distinguish between lung cancer patients and a healthy control group by analyzing the volatile organic compounds (VOCs) in their breath. We developed a sensor based on photoacoustic spectroscopy for six of the most relevant VOCs linked to lung cancer. As a radiation source, the sensor uses an optical-parametric oscillator (OPO) in a wavelength region from 3.2 µm to 3.5 µm. The limits of detection for a single substance range between 5 ppb and 142 ppb. We also measured high resolution absorption spectra of the biomarkers compared to the data currently available from the National Institute of Standards and Technology (NIST) database, which is the basis of any selective spectroscopic detection. Future lung cancer screening devices could be based on the further development of this sensor.

VOC breath biomarkers in lung cancer.

This review provides an overview of volatile organic compounds (VOCs) which are considered lung cancer biomarkers for diagnostic breath analysis. It includes results of scientific publications from 1985 to 2015. The identified VOCs are listed and ranked according to their occurrence of nomination. The applied detection and sampling methods are specified but not evaluated. Possible reasons for the different results of the studies are stated. Among the most frequently emerging biomarkers are 2-butanone and 1-propanol as well as isoprene, ethylbenzene, styrene and hexanal. The outcome of this review may be helpful for the development of a lung cancer screening device.