Mass Measurement of Non-Spherical Particles: TDMA-ELPI Setup and Performance Tests

An ELPI was introduced to the TDMA setup for measurement of effective density and particle mass. This allows measurement of particle mass change also in cases when the particles are non-spherical or have voids. In addition to mass change of a particle, the density of transferred matter can be calculated if either unconditioned or conditioned particles are spherical and the bulk (material) density of the core particle is known. The performance of the system was tested by numerical simulations and laboratory experiments. According to the results, the smallest detectable particle mass change is approximately ± 17%. The measured density for the condensing species was within 15% of the bulk density value. Particle mass change caused by condensation of semi-volatile components of exhaust gas on diesel soot particles was also demonstrated.     

Effect of oxidation catalysts on diesel soot particles

The effect of a conventional oxidation catalyst and a novel particle oxidation catalyst (POC) on diesel particles is studied using identical methodology. Regulated particulate matter emission measurement is followed by analyzing soluble organic fraction. In addition, size distributions are measured using a partial flow sampling system with a thermodenuder as an option. A parallel ELPI-SMPS method is used to study the particle effective density and, further, the mass. Tests are conducted using a heavy duty diesel engine with a very low sulfur fuel. A decrease in particle mass was observed when using a catalyst. When using a conventional catalyst the decrease was attributed to the decrease of soluble organic fraction, while using POC the nonsoluble fraction was also found to decrease, by 8-38%. This observation is confirmed by particle number measurement, and POC was found to decrease the dry particle number concentration measured downstream of a thermodenuder by 13-28%. Further particle structure analysis indicated lower density values when using conventional catalyst or POC. The physical size of the particles was not changed noticeably over either catalyst--implying the soluble organic fraction was condensed onto the soot, filling the voids in the porous structure of soot agglomerates, when no catalyst is used.     

Incorporating Hydrologic Uncertainty in Industrial Economic Models: Implications of Extreme Rainfall Variability on Metal Mining Investments

Water balance uncertainties have long been known to lead to potential environmental hazards, but their effect on economic profitability of mines is an under-studied field of research. Historical rainfall data are analyzed using the extreme value theory (EVT) and the peak over threshold method (POT). The resulting distributions are used as inputs into a system dynamics techno-economic metal mining investment profitability model, and simulation analysis is performed. The proposed methodology incorporates rainfall extremes and uncertainty into techno-economic modeling of metal mining operations. A case study with real-life historical rainfall data was used to illustrate the relationship between hydrologic uncertainty and the economic value of a metal mining investment.

     

Structure–Activity Relationships of 1-Benzoylazulenes at the OX1 and OX2 Orexin Receptors

We previously demonstrated the potential of di- or trisubstituted azulenes as ligands (potentiators, weak agonists, and antagonists) of the orexin receptors. In this study we investigated 27 1-benzoylazulene derivatives, uncovering seven potentiators of the orexin response on OX₁ and two weak dual orexin receptor agonists. For potentiators, replacement of the azulene scaffold by indole retained the activity of four out of six compounds. The structure–activity relationships for agonism and potentiation can be summarized into a bicyclic aromatic ring system substituted with two hydrogen-bond acceptors (1-position, benzoyl; 6-position, carboxyl/ester) within 7–8 Å of each other; a third acceptor at the 3-position is also well tolerated. The same pharmacophoric signature is found in the preferred conformations of the orexin receptor agonist Nag26 from molecular dynamics simulations. Subtle changes switch the activity between weak agonism and potentiation, suggesting overlapping binding sites.     

An alternative for the implementation of Kruskal's minimal spanning tree algorithm

An application of the bucket sort in Kruskal's minimal spanning tree algorithm is proposed. The modified algorithm is very fast if the edge costs are from a distribution which is close to uniform. This is due to the fact that the sorting phase then takes for an m edge graph an O(m) average time. The O(m log m) worst case occurs when there is a strong peak in the distribution of the edge costs.     

Determination of strawberry volatiles with low resolution gas phase FT–IR analyser

A low-resolution gas phase Fourier transform infrared (FT-IR) analyser, designed for industrial and environmental applications, was applied to the analysis of volatile compounds of strawberry. The frozen fruit was thawed, mashed and transferred into a glass bottle mounted to a sampling system. Volatile compounds were collected by gently heating in a vacuum and then removed into the sample cell of the gas analyser at atmospheric pressure. The quantitative analysis of 14 compounds in all was performed by a built-in microcomputer applying multicomponent analysis. GC-MS applying dynamic headspace sampling was used as a reference method. A spectral library consisting of 24 typical aroma volatiles of strawberry was created before the analyses. The highest proportions were measured for acetone and 2,5-dimethyl-4-hydroxy-3(2H)-furanone. The average coefficient of variation (CV) of the relative amount of all the compounds was 35%, that of acetone being the lowest, 3.3%. Significant differences between strawberry varieties were noticed.     

Optimization of a microphone for photoacoustic spectroscopy

The principles of optimizing a microphone for a photoacoustic detector in the nonresonant mode of operation are presented. Performance of the constructed optical cantilever microphone is compared to the commercial electret microphone by measuring the photoacoustic spectrum of methane with both systems. The sensitivity of the presented photoacoustic detector in the nonresonant mode of operation is 100 times higher with the optical cantilever microphone than with the electret microphone.     

Construction of patient-specific surface models from MR images: application to bioelectromagnetism

Patient-specific geometric models are needed in many engineering problems. This work reports a novel software tool developed to construct individualized triangulated surface models from MR images. The program consists of three main parts: segmentation, triangulation and registration. The software tool was developed under the UNIX operating system. The application area demonstrated in this work is bioelectromagnetism but the program can be used as well in other engineering problems. The tool has been successfully applied in numerous cases, both for the thorax and the head.     

Investigating dehydration from compacts using terahertz pulsed, Raman, and near-infrared spectroscopy

The purpose of this study was to investigate the dehydration of piroxicam monohydrate (PRXMH) in compacts using terahertz pulsed spectroscopy (TPS), Raman spectroscopy, and reflectance near-infrared (NIR) spectroscopy. Compacts were prepared by using PRXMH and poly(tetrafluoro)ethylene powders and combining them in three different manners before compression to produce compacts in which the PRXMH was dispersed throughout the compact, deposited on one face of the compact, or included as a layer within the compact. TPS was a suitable technique to assess the effect of sample preparation on dehydration, whereas Raman and NIR spectroscopy were limited by their sampling depth and the interference of the polymer matrix. TPS revealed that the dehydration behavior depended largely on the compact preparation method. Non-isothermal dehydration was investigated with all three spectroscopic techniques, combined with principal component analysis (PCA) on samples where the PRXMH was deposited on one face of the compact. In addition, variable temperature X-ray powder diffractometry (VT-XRPD) was used to verify the transformation from PRXMH to anhydrous PRX form I, while thermogravimetric analysis (TGA) was used to monitor the water loss. All three spectroscopic techniques allowed in situ monitoring of the dehydration from the surface layers of the compacts. TPS and Raman spectroscopy detected structural changes of the crystal, while NIR spectroscopy was more sensitive to water loss. PCA of the TPS, Raman spectroscopy, and XRPD data revealed similar dehydration profiles. In contrast, the NIR spectroscopy profile was more similar to the TGA results. The spectroscopic techniques were more suitable than slower techniques such as VT-XRPD for monitoring rapid structural changes that occurred during the dehydration.     

Effect of substrate deformation on functional properties of atomic-layer-deposited TiO2 coatings on stainless steel

Changes in the functional properties of 50 and 100 nm thick anatase-type and of 100 and 150 nm thick rutile-type atomic-layer-deposited TiO₂ coatings with increasing tensile deformation of AISI 304 stainless steel substrate up to 40% strain were studied. All as-received coatings exhibited good photoelectrochemical and photocatalytic activity as well as photohydrophilicity, but the photocatalytic activity of the rutile-type coatings was only one third of that of the anatase-type coatings. The deformation induced changes in the functional properties depended strongly on the type and thickness of the coating. For the 50 nm anatase-type coating, all the monitored functional properties were severely reduced when the applied strain was 1.4% and higher. Rest of the coatings showed also considerable, but more gradual, decrease of the photoelectrochemical and photocatalytic activity with increasing strain. Least affected was the photohydrophilicity which remained approximately constant until 30% applied strain for the 100 nm coatings, and showed some variation for the 150 nm coating. The possible reasons for the observed behavior are discussed.