Fe3O4-modified graphene oxide as a sorbent for sequential magnetic solid phase extraction and dispersive liquid phase microextraction of thallium

Microchimica Acta - A combination of magnetic solid phase extraction (MSPE) and dispersive liquid phase microextraction (DLPME) was applied in a new method for preconcentration and extremely...     

Solution Thermodynamics of Piroxicam in some Ethanol + Water Mixtures and Correlation with the Jouyban–Acree Model

The solubility of piroxicam (PIR) in several ethanol + water mixtures was determined at five temperatures from 293.15 to 313.15 K. The thermodynamic functions; Gibbs energy, enthalpy, and entropy of solution and of mixing were obtained from these solubility data and the drug properties of fusion by using the van’t Hoff and Gibbs equations. The greatest solubility value was obtained in pure ethanol. A non-linear enthalpy–entropy relationship was observed from a plot of enthalpy versus Gibbs energy of solution. Accordingly, the driving mechanism for PIR solubility in water-rich mixtures is the entropy, probably due to water-structure loss around the drug’s non-polar moieties by ethanol, whereas, in ethanol-rich mixtures the driving mechanism is the enthalpy, probably due to better PIR solvation by the co-solvent molecules. The solubilities and the derived thermodynamic properties in mixed solvents were correlated using the Jouyban–Acree model.     

A Sensitive Electrochemical Sensor Based on Graphene Oxide Nanosheets Decorated by Fe3O4@Au Nanostructure Stabilized on Polypyrrole for Efficient Triclosan Sensing

Triclosan is broadly utilized as preservative or antiseptic in various cosmetic and personal care products. It becomes hazardous for environmental safety and human health more than a certain concentration. In this research, graphene oxide (GO) nanosheets were prepared by composing Fe₃O₄@Au nanostructure decorated GO together with polypyrrole (PPy) (Fe₃O₄@Au‐PPy/GO nanocomposite) in a facile way. The composite excellent increased the electrochemical response, presenting a high sensitive electrochemical method for triclosan detection. The synthesized Fe₃O₄@Au‐PPy/GO nanocomposite was characterized for its morphological, magnetically and structural properties by FESEM‐mapping, TEM, and XRD. The Fe₃O₄@Au‐PPy/GO nanocomposites modified glassy carbon electrodes (GCE), Fe₃O₄@Au‐PPy/GO GCE, showed a higher sensitivity good stability, reproducibility, lower LOD (2.5×10^?9 M) and potential practical application in electrochemical detection of triclosan under optimized experimental conditions.     

Mechanistic In Situ and Ex Situ Studies of Phase Transformations in Molecular Co-Crystals

Co-crystallisation is widely explored as a route to improve the physical properties of pharmaceutical active ingredients, but little is known about the fundamental mechanisms of the process. Herein, we apply a hyphenated differential scanning calorimetry—X-ray diffraction technique to mimic the commercial hot melt extrusion process, and explore the heat-induced synthesis of a series of new co-crystals containing isonicotinamide. These comprise a 1:1 co-crystal with 4-hydroxybenzoic acid, 2:1 and 1:2 systems with 4-hydroxyphenylacetic acid and a 1:1 crystal with 3,4-dihydroxyphenylactic acid. The formation of co-crystals during heating is complex mechanistically. In addition to co-crystallisation, conversions between polymorphs of the co-former starting materials and co-crystal products are also observed. A subsequent study exploring the use of inkjet printing and milling to generate co-crystals revealed that the synthetic approach has a major effect on the co-crystal species and polymorphs produced.     

Synthesis,characterization, density functional theory,thermal, antimicrobial efficacy,and DNA binding/cleavage studies of Cu(II), Cr(III), Fe(III), Ni(II), Co(II), Zn(II), and Pt(IV) complexes with a derivative of 2-hydroxyphenoxymethylfuran-5-carbaldehyde

In this study, Seven new complexes incorporating (E)-2-(((5-([2-hydroxyphenoxy]methyl)furan-2-yl)methylene)amino)phenol derived from 2-hydroxyphenoxymethylfuran-5-carbaldehyde and 2-aminophenol have been synthesized using Cu(II), Cr(III), Fe(III), Ni(II), Co(II), Zn(II), and Pt(IV) metal salts. Thermal measurements, molar conductance, magnetic moment, elemental analyses, spectral (IR, UV–Vis, ¹H nuclear magnetic resonance (NMR), ESR, Mass), were used to characterize insulated solid complexes. The thermogravimetry (TG) and differential thermoanalysis (DTA) of the complexes were carried out in the range of 30–900°C. Magnetic susceptibility and electronic spectral data, as well as quantum chemical calculations, reveal the square planar geometry for Ni (II) complex, square planar/octahedral geometry for Cu (II) complex, while Co(II), Zn(II), Cr(III), Fe(III), and Pt (IV) complexes are octahedral geometry. Density functional theory (DFT) studies revealed that geometries of metal complexes and Schiff base were entirely optimized in relation to use energy by 6–31 + g (d,p) basis set. The complexes show a well-defined crystal system indicated by a powder-X-ray diffraction pattern. The scanning electron microscope showed complexes were nanocrystalline in nature, in addition to the interaction of the complexes with calf thymus CT-DNA, which was investigated via the UV–visible absorption method. Therefore, the DNA cleavage activity by the H₂L ligand and its metal complexes was performed. Finally, the synthesized complexes were tested for their in-vitro antimicrobial efficacy.     

Determination of the structure factor for the rare gas fluids based on the ORPA theory and LIR equation of state

Linear isotherm regularity is applied to generate an expression for the direct correlation function (DCF), based on the optimized random-phase approximation theory. We use the Lennard-Jones potential in the modelling of real fluids, in which its molecular parameters are state-dependent. Based on the perturbation theory, we assume that the core contribution of the DCF is related to the geometric effect via a linear form, which arises from the excluded volume, and the tail contribution is related to the long-range intermolecular interactions of the system via a non-linear form. We use this model to predict the behaviour of the structure factor, S(k), in a wide range of k values for the xenon and krypton liquids. Finally, we compare our results with the experimental and theoretical data available in literature. The model is also successful in the presentation of the Ornstein–Zernike behaviour of S(k) at the low-k region.     

Equilibrium,kinetic and thermodynamic biosorption studies of Hg(II) on red algal biomass of Porphyridium cruentum

Among a variety of microbial materials employed for biosorption, algae have added advantages of non-toxic and autotrophic nature. In this study, biosorption of Hg(II) was studied with red algal biomass of Porphyridium cruentum. The parameters affecting biosorption such as dosage of biosorbent, pH, contact time, initial metal concentration, temperature and effect of foreign metal cations in binary system were evaluated. Kinetic data were described with the help of pseudo-first-order and pseudo-second-order kinetic models. Langmuir, Freundlich, Temkin and Dubinin–Radushkevich isotherm models were applied to adsorption equilibrium data. According to the results, the maximum removal capacity (q_max) was 2.62?mg/g observed at pH 7 with 0.25?g/L of biosorbent dosage for Hg(II) solution containing 10?mg/L of metal ions. The Langmuir isotherm model fits best to the adsorption data while the kinetic data followed the pseudo-second-order model. Thermodynamics studies showed that the biosorption process of Hg(II) on P. cruentum was exothermic in nature.     

Design of a wind farm collection network when several cable types are available

In this article we consider a real-world problem submitted to us by the Hatch company. This problem consists of designing a collection network for a wind farm, assuming that the locations of the turbines and the potential cables are known, several cable types are available, and the cost of the energy that dissipates through the cables is known. We propose a mixed integer quadratic programme to model the network design problem and then linearize the quadratic programme because the latter is too difficult to solve using a standard mathematical programming software. We describe several classes of inequalities that strengthen the resulting mixed integer linear programme. Finally we use real-world data supplied by Hatch to carry out computational experiments with several versions of our model.