A remark on multiobjective stochastic optimization via strongly convex functions

Many economic and financial applications lead (from the mathematical point of view) to deterministic optimization problems depending on a probability measure. These problems can be static (one stage), dynamic with finite (multistage) or infinite horizon, single objective or multiobjective. We focus on one-stage case in multiobjective setting. Evidently, well known results from the deterministic optimization theory can be employed in the case when the “underlying” probability measure is completely known. The assumption of a complete knowledge of the probability measure is fulfilled very seldom. Consequently, we have mostly to analyze the mathematical models on the data base to obtain a stochastic estimate of the corresponding “theoretical” characteristics. However, the investigation of these estimates has been done mostly in one-objective case. In this paper we focus on the investigation of the relationship between “characteristics” obtained on the base of complete knowledge of the probability measure and estimates obtained on the (above mentioned) data base, mostly in the multiobjective case. Consequently we obtain also the relationship between analysis (based on the data) of the economic process characteristics and “real” economic process. To this end the results of the deterministic multiobjective optimization theory and the results obtained for stochastic one objective problems will be employed.     

The review on properties of solid catanionic surfactants: Main applications and perspectives of new catanionic surfactants and compounds with catanionic assisted synthesis

Mixtures of anionic and cationic surfactants display varied aggregate structures. Solid catanionic systems and metaloamphiphilic complexes, amphiphilic host–guest systems, as well as amphiphilic hydrogen bond pairs are a kind of hybrid amphiphiles, all of which self-organize into supramolecular membranes. Amphiphilicity of the supermolecules drives their hierarchical self-assembly. This review mainly discusses the current applications of well-ordered catanionic materials that show a variety of functionalities in material and life science. Widely studied rational molecular design can create self-assembled structures through various noncovalent interactions combined with numerous modification strategies. Possible applications are at early stage to access the entire potential, but may provide new and interesting interdisciplinary directions for further studies.     

Laser pulse trains for controlling excited state dynamics of adenine in water

We investigate theoretically the control of the ultrafast excited state dynamics of adenine in water by laser pulse trains, with the aim to extend the excited state lifetime and to suppress nonradiative relaxation processes. For this purpose, we introduce the combination of our field-induced surface hopping method (FISH) with the quantum mechanical-molecular mechanical (QM/MM) technique for simulating the laser-driven dynamics in the condensed phase under explicit inclusion of the solvent environment. Moreover, we employ parametric pulse shaping in the frequency domain in order to design simplified laser pulse trains allowing to establish a direct link between the pulse parameters and the controlled dynamics. We construct pulse trains which achieve a high excitation efficiency and at the same time keep a high excited state population for a significantly extended time period compared to the uncontrolled dynamics. The control mechanism involves a sequential cycling of the population between the lowest and higher excited states, thereby utilizing the properties of the corresponding potential energy surfaces to avoid conical intersections and thus to suppress the nonradiative decay to the ground state. Our findings provide a means to increase the fluorescence yield of molecules with an intrinsically very short excited state lifetime, which can lead to novel applications of shaped laser fields in the context of biosensing.     

Formation and Characterisation of the Silver Hydride Nanocluster Cation [Ag3H2((Ph2P)2CH2)]+ and Its Release of Hydrogen

Multistage mass spectrometry and density functional theory (DFT) were used to characterise the small silver hydride nanocluster, [Ag₃H₂L]⁺ (where L=(Ph₂P)₂CH₂) and its gas‐phase unimolecular chemistry. Collision‐induced dissociation (CID) yields [Ag₂HL]⁺ as the major product while laser‐induced dissociation (LID) proceeds via H₂ formation and subsequent release from [Ag₃H₂L]⁺, giving rise to [Ag₃L]⁺ as the major product. Deuterium labelling studies on [Ag₃D₂L]⁺ prove that the source of H₂ is from the hydrides and not from the ligand. Comparison of TD‐DFT absorption patterns obtained for the optimised structures with action spectroscopy results, allows assignment of the measured features to structures of precursors and products. Molecular dynamics “on the fly” reveal that AgH loss is favoured in the ground state, but H₂ formation and loss is preferred in the first excited state S₁, in agreement with CID and LID experimental findings. This indicates favourable photo‐induced formation of H₂ and subsequent release from [Ag₃H₂L]⁺, an important finding in context of metal hydrides as a hydrogen storage medium, which can subsequently be released by heating or irradiation with light.     

Surface modification of clay-coated paper by atmospheric-pressure plasma in air

The aim of this work was the wettability improvement of clay-coated paper by ambient air plasma exposure. Industrial corona with a volume dielectric barrier discharge in cylindrical configuration was used as a plasma source; the exposure times varied from 0.25 up to 5 s. Water contact angle (WCA) measurement and surface free energy (SFE) evaluation were carried out for the estimation of wettability changes. Plasma treatment in the duration of 0.25 s was sufficient to decrease the WCA almost to the half of the original value, which was 76°. SFE of paper has increased by 40%–50% after plasma treatment. Long-term ageing effect study of treated samples was carried out up to 3 months after the treatment. WCA did not reach the original value even after 3 months, and it was still 20%–30% lower. O/C ratio increased from 0.7 to 1.8 in case of 5-s plasma treatment, and the new chemical bonds (C=O, O–C=O) were created on the surface.     

Crystal Structure,Infrared Spectra and DFT Study of Benzyl 2,3-Anhydro-β-<Emphasis Type="SmallCaps">d</Emphasis>-Ribopyranoside

Abstract  

The crystal structure of benzyl 2,3-anhydro-β-d-ribopyranoside is orthorhombic, P2₁2₁2₁, Z = 4. The pyranose ring adopts the E _O conformation distorted considerably to the ⁵ H _O direction. The molecules of the title compound are linked into infinite chains running along the a-axis by bifurcated O–H···O hydrogen bonds. Interaction energies of these hydrogen bonds are significantly different, ~−5.4 for the bond with the smaller and ~−1.1 kcal/mol for the bond with the larger O···O separation. The hydrogen-bond pattern is completed by the two weaker C–H···O intermolecular hydrogen bonds, aiming at the epoxy oxygen atom. IR vibrational spectrum was interpreted by means of comparison with the full list of vibrational modes predicted using DFT method in the solid state. While till 1495 cm⁻¹ the individual bands can be reconciled with single calculated modes, the region below this limit is populated by heavily overlapped HCH, HCO, HOC, COC and HCC bending modes merged with few ν(CC) and ν(CO) modes. The respective “red” shifts of the positions of the ν(OH) bands correlate well with the size of the O···O separation.     

Photoactivity of mechanochemically prepared nanoparticulate titanium dioxide investigated by EPR spectroscopy

Titanium dioxide nanopowders were prepared by mechanochemical synthesis in a high-energy ball mill using TiOSO₄·xH₂O and Na₂CO₃ followed by annealing in the temperature range 200–800 °C. The UVA photonic efficiency of radical processes on synthesized TiO₂ powders was determined by in situ EPR spectroscopy, using, as indicators, the N-oxide spin trapping agents (5,5-dimethyl-1-pyrroline N-oxide and 5-(diisopropoxy-phosphoryl)-5-methyl-1-pyrroline N-oxide) or the radical cation of 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate, ABTS⁺). The results obtained by monitoring the photoinduced generation of hydroxyl radical spin adducts correlated with those found by the investigation of the photoreduction of ABTS⁺. The presence of iron and chromium ions, which were evidenced in samples milled in steel, decreased the photonic efficiency of radical processes. The presence of a sulfate salt matrix during the annealing process distinctly inhibits the transformation of anatase to rutile. The highest photocatalytic activity was shown by anatase samples which were prepared by milling in corundum and annealed at 700 °C. They were composed of crystallites with a mean size of 25–30 nm and well developed crystal faces.     

Thermal Behavior of Dodecylpyridinium-Based Surfactant Salts with Varied Anionic Constituent

Three novel dodecylpyridinium-based catanionic compounds were synthesized. A combination of techniques was used to examine their thermal properties: differential scanning calorimetry, powder x-ray diffraction, and polarizing microscopy. Briefly, the absence of mesomorphic properties and the formation of zig-zag blade textures were obtained in dodecylpyridinium picrate, thermotropic mesomorphism, and polymorphism in dodecylpyridinium dodecylbenzenesulfonate, and melting accompanied with degradation in combination with cholate. The anionic part of the molecule promotes behavior of novel compounds, resulting in different packing and thermal properties of catanionics in their solid state.      

The influence of additives on beer stability investigated by EPR spectroscopy

In thermally-accelerated aging followed by EPR spectroscopy of beer samples of various stabilities, free radical 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPOL) was shown to be an effective indicator of the breakdown of a sample's stability, comparable to the commonly used spin trapping agent alpha-phenyl-N-tert-butylnitrone (PBN). Both indicators were then employed to investigate the influence of additives on beer stability. The addition of L-ascorbic acid (ASC) to the beer samples accelerated the radical processes and a lower stability was found. DL-alpha-tocopherol (alpha-TOC) did not influence beer stability significantly (probably due to its limited solubility). Na2SO3, described as a very effective stabilizer in experiments with the PBN spin trap, was found not to be effective using the TEMPOL indicator. This is probably due to inhibition in the formation of spin adducts or their degradation by Na2SO3.