Synthesis,characterization, and DFT Raman study of pure and Mn-doped LiTaO3 nanofibers

Pure and Mn-doped lithium tantalate nanofibers, with Mn concentrations of 1%, 2.5%, and 5%, were synthesized by the electrospinning method. The morphology, microstructure, and crystal structure of as-spun and annealed composite nanofibers were characterized by scanning electron microscopy, X-ray diffraction, and transmission electron microscopy. Raman spectroscopy has shown to be a powerful tool to detect either local variations or changes of the whole structure. Position and width of one Raman line can be used as markers of a structural change. Some vibrational modes are especially associated with the site of Li or Ta ions and so, they can be affected by the introduction of dopant ions. Any damages or local changes in the microstructure can be detected by a line broadening. With the use of Raman spectroscopy, the sites where Mn ions enter the doped structures were established by recording the shift and broadening of peaks in Mn-doped structures with respect to pure lithium tantalate. Thus it was proven that Mn ions enter the Li sites for low Mn concentration and, on the other hand, for higher concentrations, the dopant substitutes Li and Ta sites. First-principles calculations were performed within the density functional theory, including lattice-dynamic calculations of the phonon modes at the zone center (Γ point), for the pure structure, to find the irreducible representation of the modes.     

Neuropsychopharmacology of Emerging Drugs of Abuse: meta- and para-Halogen-Ring-Substituted α-PVP (“flakka”) Derivatives

Changes in the molecular structure of synthetic cathinones has led to an increase in the number of novel emerging drugs in the illicit drug market at an unprecedented rate. Unfortunately, little is known about the neuropsychopharmacology of recently emerged halogen-substituted α-PVP derivatives. Thus, the aim of this study was to investigate the role of para- and meta-halogen (F-, Cl-, and Br-) substitutions on the in vitro, in silico, and in vivo effects of α-pyrrolidinopentiophenone (α-PVP) derivatives. HEK293 cells expressing the human dopamine or serotonin transporter (hDAT and hSERT) were used for the uptake inhibition and transporter affinity assays. Molecular docking was used to model the interaction mechanism against DAT. Swiss CD-1 mice were used for the horizontal locomotor activity, open field test, and conditioned place preference paradigm. All compounds demonstrated potent DA uptake inhibition and higher DAT selectivity than cocaine. Meta-substituted cathinones showed higher DAT/SERT ratios than their para- analogs, which correlates with an increased psychostimulant effect in vivo and with different meta- and para-in silico interactions at DAT. Moreover, all compounds induced rewarding and acute anxiogenic effects in mice. In conclusion, the present study demonstrates the role of meta- and para-halogen substitutions in the mechanism of action and provides the first evidence of the rewarding and anxiety-like properties of halogenated α-PVP derivatives.     

NSAID-Based Coordination Compounds for Biomedical Applications: Recent Advances and Developments

After the serendipitous discovery of cisplatin, a platinum-based drug with chemotherapeutic effects, an incredible amount of research in the area of coordination chemistry has been produced. Other transition metal compounds were studied, and several new relevant metallodrugs have been synthetized in the past few years. This review is focused on coordination compounds with first-row transition metals, namely, copper, cobalt, nickel or manganese, or with zinc, which have potential or effective pharmacological properties. It is known that metal complexes, once bound to organic drugs, can enhance the drugs’ biological activities, such as anticancer, antimicrobial or anti-inflammatory ones. NSAIDs are a class of compounds with anti-inflammatory properties used to treat pain or fever. NSAIDs’ properties can be strongly improved when included in complexes using their compositional N and O donor atoms, which facilitate their coordination to metal ions. This review focuses on the research on this topic and on the promising or effective results that complexes of first-row transition metals and NSAIDs can exhibit.     

Perfectly Wetting Mixtures of Surfactants from Renewable Resources: The Interaction and Synergistic Effects on Adsorption and Micellization

This paper presents a study of the surface properties of mixtures of surfactants originating from renewable sources, i.e., alkylpolyglucoside (APG), ethoxylated fatty alcohol (AE), and sodium soap (Na soap). The main objective was to optimize the surfactant ratio which produces the highest wetting properties during the analysis of the solution of the individual surfactants, two- and three-component mixtures, and at different pH values. The results showed the existence of a synergistic effect in lowering the interfacial tension, critical micelle concentration and the formation of mixed micelles in selected solutions. We found that best wetting properties were measured for the binary AE:APG mixtures. It has been demonstrated that slightly lower contact angles values were observed on Teflon and glass surfaces for the AE:APG:soap mixtures but the results were obtained for higher concentration of the components. In addition, all studied solutions have very good surface properties in acidic, basic and neural media. However, the AE:soap (molar ratio of 1:2), AE:APG (2:1) and AE:APG:soap (1:1:1) compositions improved their wetting power at pH 7 on the aluminium and glass surfaces, as compared to solutions at other pH values tested (selected Θ values close to zero—perfectly wetting liquids). All described effects detected would allow less surfactant to be used to achieve the maximum capacity of washing, wetting or solubilizing while minimizing costs and demonstrating environmental care.     

The Use of Reverse Osmosis in the Removal of PAHs from Municipal Landfill Leachate

Polycyclic aromatic hydrocarbons (PAHs) are relatively well-known organic pollutants and due to their carcinogenic and mutagenic properties their presence in the environment still attracts a lot of attention.

According to literature reports and own research, PAHs presence in wastewaters is common. It was confirmed that PAHs are the components of municipal landfill leachate. Membrane techniques are one of the most interesting ways of removing PAHs from leachate.

The purpose of this article is to monitor PAHs concentration changes during the membrane (reverse osmosis - RO) leachate treatment processes. In the first stage of testing leachates were filtrated on the sand bed (pre-filtration). After the pre-filtration they were directed to the membrane module for the main filtration.

Sixteen PAHs listed by EPA were analyzed. The results with information on PAHs concentration in leachate samples were presented using HPLC with fluorescence detection (FLD). The changes in PAHs concentration were determined in leachate samples before and after pre-filtration as well as after RO. The decrease of PAHs concentration in the samples was observed after these processes. The total concentration of 16 PAHs in raw municipal landfill leachates amounted to 23.64–26.95 μg/L. The research confirmed the high efficiency in removal of PAHs while using a reverse osmosis (59–72%). Including the pre-filtration, the overall level of removed PAHs reached 81–86%. The average PAHs concentration after pre-filtration and RO was in the 4.46–4.99 μg/L range. The municipal landfill leachate with a high concentration of PAHs should be cleaned before it is discharged into the environment.     

Toward the prediction of porous membrane permeability from morphological data

One of the challenges in membrane technology is predicting permeability in porous membranes for liquid applications in an easy and inexpensive way. This is the aim of this work. To achieve this objective, several techniques can be considered. In this study, a morphological approach from two‐dimensional scanning electron micrographs is proposed. First, numerical membrane morphological parameters have been determined from micrographs by using the QUANTS tool, which applies a texture recognition process. Second, the obtained data have been fit to the Darcy's and Hagen–Poiseuille models to calculate permeations. The QUANTS results have also been compared with the ones obtained through a mercury porosimeter, which is a classic and well‐known methodology. Each parameter of the Hagen–Poiseuille model has been analyzed. A comparison between experimentally measured permeations and calculated ones has been performed. An even easier approach is proposed to predict flow rate with the only knowledge of membrane surface mean pore size. This method is based on cross‐section pore size interpolation by using function fits from surface mean pore sizes. The obtained results show a reasonable agreement between measured and computed results, making this technique a valid approach for predicting membrane permeability. POLYM. ENG. SCI., 56:118–124, 2016. © 2015 Society of Plastics Engineers     

Effect of CO2 Exposure on the Chemical Stability and Mechanical Properties of BaZrO3‐Ceramics

The reactivity of BaZrO₃ with CO₂ has been addressed as one of the major challenges with BaZrO₃‐based electrolytes in protonic ceramic fuel cells. Here, we present a study of the effect of CO₂ exposure on BaZrO₃‐materials at elevated temperatures. Dense BaZr_1?xY_xO_3?x/2 (x = 0, 0.05, 0.1, 0.2) and BaCe_0.2Zr_0.7Y_0.1O_2.95 ceramics were prepared by sintering of powder prepared by spray pyrolysis. The Vickers indentation method was used to determine the hardness and estimate the fracture toughness of pristine materials as well as the corresponding materials exposed to CO₂. Formation of BaCO₃ on the surface of exposed ceramics was confirmed by X‐ray diffraction and electron microcopy. The reaction resulted in formation of Ba‐deficient perovskite at the exposed surface. The reaction with CO₂ was most pronounced at 650°C compared to the other temperatures applied in the study. The reactivity was also shown to depend on the Y‐content and the grain size and was most pronounced for BaZr_0.9Y_0.1O_2.95. The reaction with CO₂ was observed to have a profound effect on the fracture toughness of the ceramics, demonstrating a depression of the mechanical stability of the materials. The results are discussed with respect to the chemical and mechanical stability of BaZrO₃ materials, with particular emphasis on the composition and grain size.