Thermochemistry of HCOS+ and HCS2+

Heats of formation for HCOS⁺ and HCS₂⁺, obtained from high-quality ab initio calculations, have been used to determine the thermochemistry of several reactions which may form these ions in interstellar clouds or mass spectrometer experiments. Radiative association of HCO⁺ or HCS⁺ with either O or S may be important in interstellar clouds, whereas proton transfer from H₃⁺ or HCO⁺ to CS₂ or COS may be a means of synthesizing these ions by mass spectrometry. In the latter case, the relevant heats of formation are: HCS₂⁺(¹A₁) 1042 kJ mol^?1 and HCOS⁺ (¹A′) 996 kJ mol^?1.     

Investigation of phytochemicals and antioxidant capacity of selected <Emphasis Type="Italic">Eucalyptus</Emphasis> species using conventional extraction

Eucalyptus species have found their place in traditional medicine and pharmacological research and they have also been shown to possess a large number of phenolic compounds and antioxidants. The present study sought to implement conventional extraction to yield maximal total phenolic content (TPC), total flavonoid content (TFC), proanthocyanidins, antioxidants, and saponins from E. robusta using different solvents. The most suitable extraction solvent was further employed for extracting phytochemicals from E. saligna, E. microcorys, and E. globulus to select the Eucalyptus species with the greatest bioactive compound content. The results emphasised the efficiency of water in extracting TPC ((150.60 ± 2.47) mg of gallic acid equivalents per g), TFC ((38.83 ± 0.23) mg of rutin equivalents per g), proanthocyanidins ((5.14 ± 0.77) mg of catechin equivalents per g), and antioxidants ABTS ((525.67 ± 1.99) mg of trolox equivalents (TE) per g), DPPH ((378.61 ± 4.72) mg of TE per g); CUPRAC ((607.43 ± 6.69) mg of TE per g) from E. robusta. Moreover, the aqueous extract of E. robusta had the highest TPC, TFC and antioxidant values among the other Eucalyptus species tested. These findings highlighted the efficiency of conventional extraction in extracting natural bioactive compounds from Eucalyptus species for pharmaceutical and nutraceutical applications.     

The self-preserving size distribution theory. II. Comparison with experimental results for Si and Si3N4 aerosols

The gas to particle synthesis route is a relatively clean and efficient manner for the production of high-quality ceramic powders. These powders can be subsequently sintered in any wanted shape. The modeling of these production systems is difficult because several mechanisms occur in parallel. From theoretical considerations it can be determined, however, that coagulation and sintering are dominant mechanisms as far as shape and size of the particles are considered. In part I of this article an extensive theoretical analysis was given on the self-preserving size distribution theory for power law particles. In this second part, cumulative particle size distributions of silicon and silicon nitride agglomerates, produced in a laser reactor, were determined from TEM pictures and compared to the distributions calculated from this self-preserving theory for power law particles. The calculated distributions were in fair agreement with the measured results, especially at the high end of the distributions. Calculated and measured particle growth rates were also in fair agreement. Using the self-preserving theory an analysis was made on the distribution of annealed silicon agglomerates, of interest in applications to nanoparticle technology.     

Phytochemical profiles and antioxidant capacity of the crude extracts,aqueous- and saponin-enriched butanol fractions of <Emphasis Type="Italic">Helicteres hirsuta</Emphasis> Lour. leaves and stems

This study aimed to compare phytochemical profiles and antioxidant capacity of various extracts including crude extracts, aqueous- and saponin-enriched butanol fractions prepared from the stems and leaves of Helicteres hirsuta Lour. The results revealed that all the three powdered extracts from the leaves and the stems possessed high levels of phenolics (177.07–241.03 mg GAE g^?1), flavonoids (158.03–280.06 mg CE g^?1) and saponins (165.77–1035.33 mg ESE g^?1) and exhibited strong antioxidant capacity. HPLC analysis identified nine major compounds in the leaf powder crude extract; however, the leaf aqueous fraction had three extra compounds; whereas, the saponin-enriched butanol leaf fraction had seven extra compounds. For the stems, twelve main compounds were evident in either the powdered crude extract or the aqueous fraction, and five new compounds were revealed in the saponin-enriched butanol fraction. The findings revealed that the powdered aqueous fractions and saponin-enriched butanol fractions are potential sources of biologically active compounds for further investigation and industrial utilisation.     

Correction of the Effect of Particle Shape on the size distribution measured with a laser diffraction instrument

This paper gives a theoretical basis for calculating Fraunhofer diffraction patterns of arbitrary polyhedron particles. It is shown that this solution can be used for calculating a scatter matrix adapted to the particle shape in a straightforward manner. Some simulations were made to show the difference between the size distribution by volume obtained with a scatter matrix for spheres and with that for the appropriate shape. Finally, some experimentally measured signatures from platelets and rods are evaluated in order to show that the spherical equivalent diameter could be accurately retrieved.     

Monitoring the Dynamics of Concentrated Suspensions by Enhanced Backward Light Scattering

The shear-induced flocculation of kaolin-polymer flocs in a stirred tank is investigated at medium to high solids concentrations (ϕ=1−10% w/w). The evolution of the average floc size is monitored by the change in intensity of laser light scattered in the 180° direction. The measurements reflect the change in particle number concentration as flocculation proceeds. As flocculation begins, coagulation dominates and the floc size increases (total particle number decreases) and then levels off at a steady state value as fragmentation becomes significant and balances coagulation. At steady state, the measurements indicate the extent of flocculation. Increasing the shear rate increases the coagulation and fragmentation rates, resulting in smaller floc sizes at steady state. Increasing the flocculant concentration increases the steady state floc size by strengthening the bonds between primary particles to resist fragmentation. At constant shear rate and flocculant concentration, increasing the solids fraction decreases the steady state floc size indicating formation of weakly bonded flocs. Flocculant mixing was the most important factor for flocculation efficiency at high solids concentrations.     

On Architecture Selection for Linear Inverse Problems with Untrained Neural Networks

In recent years, neural network based image priors have been shown to be highly effective for linear inverse problems, often significantly outperforming conventional methods that are based on sparsity and related notions. While pre-trained generative models are perhaps the most common, it has additionally been shown that even untrained neural networks can serve as excellent priors in various imaging applications. In this paper, we seek to broaden the applicability and understanding of untrained neural network priors by investigating the interaction between architecture selection, measurement models (e.g., inpainting vs. denoising vs. compressive sensing), and signal types (e.g., smooth vs. erratic). We motivate the problem via statistical learning theory, and provide two practical algorithms for tuning architectural hyperparameters. Using experimental evaluations, we demonstrate that the optimal hyperparameters may vary significantly between tasks and can exhibit large performance gaps when tuned for the wrong task. In addition, we investigate which hyperparameters tend to be more important, and which are robust to deviations from the optimum.