The optimization problem over a distributive lattice

In this paper we give a necessary and sufficient condition for existence of minimal solution(s) of the linear system A * X ≥ b where A, b are fixed matrices and X is an unknown matrix over a lattice. Next, an algorithm which finds these minimal solutions over a distributive lattice is given. Finally, we find an optimal solution for the optimization problem min {Z = C * X | A * X ≥ b} where C is the given matrix of coefficients of objective function Z. This research was completed while the author was a visitor of the Center for Informatics and Applied Optimization, University of Ballarat, Ballarat, Australia.     

Liquid chromatographic determination of trace levels of nitrophenols in water samples after dispersive magnetic solid phase extraction

An efficient and fast dispersive magnetic solid phase extraction method was developed using MIL‐101(Cr)/poly (mercaptobenzothiazole)@magnetite nanoparticles for the preconcentration and determination of nitrophenols in river and rain water samples. High‐performance liquid chromatography‐Ultraviolet instrument was applied for the analysis of target nitrophenols. The effect of several variables on the extraction performance was explored via design of experiment approach. Limits of detection and linear dynamic ranges were attained in the range of 0.05–0.10 µg/L and 0.2–250 µg/L, respectively. The enrichment factors were in the range of 317–363. The precision (n = 3) of dispersive magnetic solid phase extraction method was in the range of 5.3–6.8%. Eventually, the method was utilized for the analysis of target nitrophenols in river and rain water samples.     

Simultaneous voltammetric sensing of acetaminophen,epinephrine and melatonin using a carbon paste electrode modified with zinc ferrite nanoparticles

A highly selective electrochemical sensor was fabricated based on a modified carbon paste electrode with zinc ferrite nanoparticles (ZnFe₂O₄ NPs). The nanocomposite has attractive properties such as high surface-to-volume ratio and good electrocatalytic activity towards the drugs acetaminophen (AC), epinephrine (EP), and melatonin (MT), best at working voltages of 0.35, 0.09 and 0.55 V (vs. Ag/AgCl), respectively. The linear ranges (and detection limits) are 6.5–135 (0.4) μmol L^?1 for AC, 5–100 (0.7) μmol L^?1 for EP, and 6.5–145 (3) μmol L^?1 for MT.

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Graphical abstract A novel electrochemical sensor based on a modified carbon paste electrode with zinc ferrite nanoparticles (ZnFe₂O₄) for the simultaneous detection of the acetaminophen, epinephrine and melatonin was fabricated

     

DFT and TD-DFT study of benzene and borazines containing chromophores for DSSC materials

In this investigation, we have designed a series of benzene and borazines containing chromophores for employing in dye-sensitized solar cells (DSSCs). The optimized structures and photo-physical properties of these molecules have been explored by using the density functional theory method (B3LYP/6-311++G(d,p)). These dyes consist of electron-donor (benzene, borazine, fluorinated borazine) and -acceptor/anchoring (tricyanovinyl), connected by the π-conjugated linker as an electron spacer. The Natural Bond Orbital (NBO) analysis has also been employed for studying the origin of charge transfer. The time-dependent density functional theory (TD-DFT) method has also been used to calculate the electronic absorption spectra of these molecules. The maximum absorption wavelengths assign to HOMO → LUMO transition. The electronic coupling constant, electron injection and light harvesting efficiency have been computed by first principle researches. This revealed that the studied molecules would be efficient photosensitizers.     

Retracted: Effective and Green One‐Pot Multicomponent Synthesis of Novel Derivatives of 4H‐Pyrans in the Presence of Hexamethylenetetramine as Catalyst in Water Medium

Hexamethylenetetramine (HMTA) catalyzes synthesis of new polyfunctionalized 4H‐pyrans by reaction of aromatic aldehyde, malononitrile, and β‐keto esters via one‐pot three‐component procedure in water medium. Addition of reactants was performed by two methods led to achieve similar results. Using HMTA in catalytic amount not only represents the economic face of the reaction, but also due to the use of water, a green and safe reaction condition is organized. Thus, the current strategy provides the benefits of high productivity, convenient operation, and environmental friendliness. Structure of all products was proved by elemental analysis, IR, ¹H‐NMR, and ¹³C‐NMR spectroscopy.     

A quantum chemistry study of ruthenabenzene complexes

The electronic structure and properties of the ruthenabenzenes and substituted ruthenabenzenes have been explored using the hybrid density functional B3LYP theory. Systematic studies on the substituent effect in para-substituted ruthenabenzenes complexes have been studied. The following substituents were taken into consideration: H, NO₂, CN, CHO, COOH, F, CH₃, OH, and NH₂. Basic measures of aromatic character were derived from the structure and nucleus-independent chemical shift (NICS). The NICS calculations indicate a correlation between NICS(1.5) and the hardness in all species. The atoms in molecule analysis indicates a correlation between r(Ru-C) bonds and the electron density of bond critical point in all species.     

Static magnetic fields aggravate the effects of ionizing radiation on cell cycle progression in bone marrow stem cells

In order to evaluate the influence of static magnetic fields (SMF) on the progression of cell cycle as a monitor of presumptive genotoxicity of these fields, the effects of a 15 mT SMF on cell cycle progression in rat bone marrow stem cells (BMSC) were examined. The cells were divided into two groups. One group encountered SMF alone for 5 h continuously but the other group exposed with X ray before treatment with SMF. The population of cells did not show any significant difference in the first group but the second group that was exposed with acute radiation before encountering SMF showed a significant increase in the number of cells in G₂/M phase. So SMF has intensified the effects of X ray, where SMF alone, did not had any detectable influence on cell cycle.These findings suggest that magnetic fields (MF) play their role by increasing the effects of genotoxic agents and because of the greater concentration of free radicals in the presence of radical pair producers, this effect is better detectable.     

Characterisation of optical detectors using high-accuracy instruments

The facilities of the Metrology Research Institute at the Helsinki University of Technology, and methods for characterisation of optical detectors for spectral radiant intensity and irradiance responsivity, are described. The instrumentation for such characterisations includes a reference spectrometer with a number of auxiliary set-ups, and equipment for the spectral irradiance measurements with a filter radiometer based on a trap detector. The methods of realising the spectral responsivity scales based on an absolute cryogenic radiometer in house are addressed. The procedures and results of characterisation of a multipoint measuring system of photosynthetically active radiation, by employing the available facilities, are briefly described. The absolute irradiance responsivity of the device is determined by using a photometric lamp, whose spectral irradiance has been measured with the filter radiometer. The combined standard uncertainty of this set of calibrations is 3.6% at the 1σ level. The uncertainty is caused almost completely by the multipoint measuring system.