An inexpensive UV-LED photoacoustic based real-time sensor-system detecting exhaled trace-acetone.

In this research we present a low-cost system for breath acetone analysis based on UV-LED photoacoustic spectroscopy. We considered the end-tidal phase of exhalation, which represents the systemic concentrations of volatile organic compounds (VOCs) - providing clinically relevant information about the human health. This is achieved via the development of a CO2-triggered breath sampling system, which collected alveolar breath over several minutes in sterile and inert containers. A real-time mass spectrometer is coupled to serve as a reference device for calibration measurements and subsequent breath analysis. The new sensor system provided a 3σ detection limit of 8.3 ppbV and an NNEA of 1.4E-9 Wcm-1Hz-0.5. In terms of the performed breath analysis measurements, 12 out of 13 fell within the error margin of the photoacoustic measurement system, demonstrating the reliability of the measurements in the field.

A sub-ppbv-level Acetone and Ethanol Quantum Cascade Laser Based Photoacoustic Sensor - Characterization and Multi-Component Spectra Recording in Synthetic Breath.

Trace gas analysis in breath is challenging due to the vast number of different components. We present a highly sensitive quantum cascade laser based photoacoustic setup for breath analysis. Scanning the range between 8263 and 8270 nm with a spectral resolution of 48 pm, we are able to quantify acetone and ethanol within a typical breath matrix containing water and CO2. We photoacoustically acquired spectra within this region of mid-infra-red light and prove that those spectra do not suffer from non-spectral interferences. The purely additive behavior of a breath sample spectrum was verified by comparing it with the independently acquired single component spectra using Pearson and Spearman correlation coefficients. A previously presented simulation approach is improved and an error attribution study is presented. With a 3σ detection limit of 6.5 ppbv in terms of ethanol and 250 pptv regarding acetone, our system is among the best performing presented so far.

An Algorithmic Approach to Compute the Effect of Non-Radiative Relaxation Processes in Photoacoustic Spectroscopy.

Successful transfer of photoacoustic gas sensors from laboratory to real-life applications requires knowledge about potential cross-sensitivities towards environmental and gas matrix changes. Multi-dimensional calibration in case of cross-sensitivities can become very complex or even unfeasible. To address this challenge, we present a novel algorithm to compute the collision based non-radiative efficiency and phase lag of energy relaxation on a molecular level (CoNRad) for photoacoustic signal calculation. This algorithmic approach allows to calculate the entire relaxation cascade of arbitrarily complex systems, yielding a theoretical photoacoustic signal. In this work the influence of varying bulk compositions, i.e. nitrogen (N2), oxygen (O2) and water (H2O) on the photoacoustic signal during methane (CH4) detection is demonstrated. The applicability of the algorithm to other photoacoustic setups is shown exemplary by applying it to the relaxational system investigated in [1]. Hayden et al. examined the effect of water on photoacoustic carbon monoxide (CO) detection.

Microemulsions with an ionic liquid surfactant and room temperature ionic liquids as polar pseudo-phase.

In this investigation we present for the first time microemulsions comprising an ionic liquid as surfactant and a room-temperature ionic liquid as polar pseudo-phase. Microemulsions containing the long- chain ionic liquid1-hexadecyl-3-methyl-imidazolium chloride ([C16mim][Cl]) as surfactant, decanol as cosurfactant, dodecaneas continuous phase and room temperature ionic liquids (ethylammonium nitrate (EAN) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]][BF4]), respectively) as polar microenvironment have been formulated. The phase diagrams of both systems were determined at a constant surfactant/cosurfactant molar ratio. EAN microregions in oil have been confirmed with conductivity measurements. In presence of EAN a model of dynamic percolation could be applied. Dynamic light scattering (DLS) measurements indicated a swelling of the formed nano-structures with increasing amount of EAN, a linear dependence of the hydrodynamic radii on the EAN weight fraction was observed. Both systems exhibited a single broad peakin SAXS and follow a characteristic q-4 dependence of the scattering intensity at large q values. The Teubner-Strey model was successfully used to fit the spectra giving fa, the amphiphilic factor, and the two characteristic length scales of microemulsions, namely the periodicity, d, and the correlation length, zeta. Furthermore, the specific area of the interface could be determined from the Porod limit and the experimental invariant. The amphiphilic factor clearly demonstrated structural differences between the two systems confirming that the nature of the polar ionic liquid plays an important role on the rigidity of the interfacial film. The adaptability of three different models ranging from spherical ionic liquid in oil over repulsive spheres to bicontinuous structures has been checked.