Study on thermolysis process of a new hydrated and protonated perovskite-like oxides H2K0.5Bi2.5Ti4O13·yH2O

A protonated form of the n?=?4 layered bismuth containing perovskite-like titanate K_2.5Bi_2.5Ti₄O₁₃ belonging to Ruddlesden-Popper phases was prepared via ion exchange reaction of interlayer K⁺ with protons. Its composition was investigated by TG ICP and EDX analysis was found to be H₂K_0.5Bi_2.5Ti₄O₁₃·H₂O. The thermal behavior of the obtained phase was investigated by STA coupled with mass-spectrometry, the structural changes, happening with the sample during heating, were examined by XRD. It was shown that the as-prepared hydrated phase undergoes two-stage dehydration at low temperatures (up to 160?°C). The further heating leads to the gradual decomposition and crystallization of new phases, notably Bi₂Ti₂O₇, Bi₄Ti₃O₁₂ and Bi₂Ti₄O₁₁. The morphology of the as-prepared sample and samples after heat treatment was examined using SEM.     

Occurrence and risk assessment of mycotoxins,acrylamide, and furan in Latvian beer

This work reports data on the occurrence of nine mycotoxins and two food processing contaminants – acrylamide and furan – in a total of 100 beers produced in Latvia. Mycotoxins were detected by high-performance liquid chromatography (HPLC) coupled with time-of-flight mass spectrometry, acrylamide by HPLC coupled with quadrupole-Orbitrap mass spectrometry, and furan by headspace gas chromatography-mass spectrometry. The most frequently occurring mycotoxins were HT-2 and deoxynivalenol (DON), which were detected in 52% and 51% of the analysed samples. The highest content was observed for DON, reaching the maximum of 248 µg kg^?1. Furan was ubiquitous, and 74% of the samples contained acrylamide. In terms of the estimated exposure, the biggest potential risk was identified for HT-2 representing more than 11% of tolerable weekly intake. The margin of exposure approach indicated the exposure to furan through beer as significant, this parameter being close to the critical limit.     

Chain flexibility versus molecular entanglement response to rubbing deformation in designing poly(oxadiazole-naphthylimide)s as liquid crystal orientation layers

Four poly(oxadiazole-imide)s containing naphthalene rings, with different flexibility and molecular weight, are investigated with respect to their rheological properties to establish the optimal processing conditions from solution phase to film state for liquid crystal orientation purposes. The film uniformity and strength are determined by monitoring the flow behavior and chain entanglements. The solution rheological data are in agreement with film tensile testing, revealing that higher molecular weight favors chain entanglements and implicitly the film mechanical resistance. In order to analyze the suitability of these films as alignment layers their surface is patterned by rubbing with two types of velvet. Liquid crystal alignment of 4′-pentyl-4-biphenylcarbonitrile nematic is tested by polarized light microscopy. The resulting behavior is correlated with the polyimide malleability and characteristics of the textile fibers, namely their polarity, size, and mechanical features. The competitive effects between chain flexibility and entanglements, together with the interactions occurring between the polymer and velvet are analyzed in order to explain the surface regularity, which influences the uniformity of the liquid crystal alignment. The contrast between dark and bright states recorded on the liquid crystal cell indicates that some of these polynaphthalimides are promising candidates for liquid crystal display devices.     

pH control for enhanced reductive bioremediation of chlorinated solvent source zones

Enhanced reductive dehalogenation is an attractive treatment technology for in situ remediation of chlorinated solvent DNAPL source areas. Reductive dehalogenation is an acid-forming process with hydrochloric acid and also organic acids from fermentation of the electron donors typically building up in the source zone during remediation. This can lead to groundwater acidification thereby inhibiting the activity of dehalogenating microorganisms. Where the soils' natural buffering capacity is likely to be exceeded, the addition of an external source of alkalinity is needed to ensure sustained dehalogenation. To assist in the design of bioremediation systems, an abiotic geochemical model was developed to provide insight into the processes influencing the groundwater acidity as dehalogenation proceeds, and to predict the amount of bicarbonate required to maintain the pH at a suitable level for dehalogenating bacteria (i.e., > 6.5). The model accounts for the amount of chlorinated solvent degraded, site water chemistry, electron donor, alternative terminal electron-accepting processes, gas release and soil mineralogy. While calcite and iron oxides were shown to be the key minerals influencing the soil's buffering capacity, for the extensive dehalogenation likely to occur in a DNAPL source zone, significant bicarbonate addition may be necessary even in soils that are naturally well buffered. Results indicated that the bicarbonate requirement strongly depends on the electron donor used and availability of competing electron acceptors (e.g., sulfate, iron (III)). Based on understanding gained from this model, a simplified model was developed for calculating a preliminary design estimate of the bicarbonate addition required to control the pH for user-specified operating conditions.     

Relevance of the acid–base approach in prediction of adhesion properties in two‐component injection moulding

We demonstrate the use of innovative wetting method in prediction of the adhesion properties of biobased polymers for two‐component injection moulding, taking into account the acid–base surface properties of joined materials. The measurements were carried out in accordance with modified Berger method by calculation of the difference in shortened acidity parameter ΔD_short between hard and soft component. Correlation factors up to 0.99 were observed between ΔD_short and peel force. In comparison to results obtained by conventional wetting methods, high potential for the selection of components with high interface adhesion and for prediction of the functionality by the acid–base approach was demonstrated. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43048.     

New Octopus-like Phthalocyanines as Fullerene Receptors: Synthesis and Photophysical Investigation

Octopus-like zinc and magnesium phthalocyaninates bearing eight flexible benzylated diethylene glycol chains were synthesized and their interaction with fullerenes C₆₀ and C₇₀ was investigated by UV-Vis spectrophotometric titration, as well as by steady-state and time-resolved fluorescence spectroscopy in chloroform and toluene media. These measurements revealed a high affinity of receptors for C₆₀ and C₇₀, with selectivity to C₇₀: binding constants for C₇₀ are almost two times higher than for C₆₀. These results are interpreted by means of quantum-chemical calculations using the PM6-DH2 Hamiltonian. The binding constants also depend on both the nature of the metal ion in the receptor and the solvent. It is expected that the obtained molecules and supramolecular complexes can be used for further elaboration of optoelectronic donor-acceptor materials.     

Is Protein Folding a Thermodynamically Unfavorable,Active, Energy-Dependent Process?

The prevailing current view of protein folding is the thermodynamic hypothesis, under which the native folded conformation of a protein corresponds to the global minimum of Gibbs free energy G. We question this concept and show that the empirical evidence behind the thermodynamic hypothesis of folding is far from strong. Furthermore, physical theory-based approaches to the prediction of protein folds and their folding pathways so far have invariably failed except for some very small proteins, despite decades of intensive theory development and the enormous increase of computer power. The recent spectacular successes in protein structure prediction owe to evolutionary modeling of amino acid sequence substitutions enhanced by deep learning methods, but even these breakthroughs provide no information on the protein folding mechanisms and pathways. We discuss an alternative view of protein folding, under which the native state of most proteins does not occupy the global free energy minimum, but rather, a local minimum on a fluctuating free energy landscape. We further argue that ΔG of folding is likely to be positive for the majority of proteins, which therefore fold into their native conformations only through interactions with the energy-dependent molecular machinery of living cells, in particular, the translation system and chaperones. Accordingly, protein folding should be modeled as it occurs in vivo, that is, as a non-equilibrium, active, energy-dependent process.     

MTEP,a Selective mGluR5 Antagonist,Had a Neuroprotective Effect but Did Not Prevent the Development of Spontaneous Recurrent Seizures and Behavioral Comorbidities in the Rat Lithium–Pilocarpine Model of Epilepsy

Metabotropic glutamate receptors (mGluRs) are expressed predominantly on neurons and glial cells and are involved in the modulation of a wide range of signal transduction cascades. Therefore, different subtypes of mGluRs are considered a promising target for the treatment of various brain diseases. Previous studies have demonstrated the seizure-induced upregulation of mGluR5; however, its functional significance is still unclear. In the present study, we aimed to clarify the effect of treatment with the selective mGluR5 antagonist 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]-pyridine (MTEP) on epileptogenesis and behavioral impairments in rats using the lithium–pilocarpine model. We found that the administration of MTEP during the latent phase of the model did not improve survival, prevent the development of epilepsy, or attenuate its manifestations in rats. However, MTEP treatment completely prevented neuronal loss and partially attenuated astrogliosis in the hippocampus. An increase in excitatory amino acid transporter 2 expression, which has been detected in treated rats, may prevent excitotoxicity and be a potential mechanism of neuroprotection. We also found that MTEP administration did not prevent the behavioral comorbidities such as depressive-like behavior, motor hyperactivity, reduction of exploratory behavior, and cognitive impairments typical in the lithium–pilocarpine model. Thus, despite the distinct neuroprotective effect, the MTEP treatment was ineffective in preventing epilepsy.