Intrinsic second-order nonlinearity in chalcogenide glasses containing HgI2

Frequency conversion using nonlinear optical (NLO) crystals is widely used in advanced photonic technologies to produce coherent light in the spectral regions where the available laser sources are missing. Isotropic glasses usually do not show second order nonlinear processes like second harmonic or difference frequency generation (SHG, DFG) except for temporarily induced anisotropy under external stimuli. Here, we show that a HgI₂–Ga₂S₃–GeS₂ homogeneous glass exhibits a strong intrinsic SHG response comparable with that of the well-known NLO single crystal LiNbO₃. The origin of this extremely rare phenomenon seems to be noncentrosymmetric bent HgI₂ molecules embedded in a sulfide glassy host. Taking into account the unique properties of chalcogenide glasses (wide IR transmission, low phonon density, unlimited ability to be modified changing the appropriate glass properties, fiber drawing and thin layer design), the observed phenomenon opens up the possibility of creating fundamentally new devices for mid-IR photonics.     

Methods and Applications of In Silico Aptamer Design and Modeling

Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target molecule with high affinity and selectivity. Theoretical methods allow significant expansion of the possibilities of aptamer design. In this study, we review theoretical and joint theoretical-experimental studies dedicated to aptamer design and modeling. We consider aptamers with different targets, such as proteins, antibiotics, organophosphates, nucleobases, amino acids, and drugs. During nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis. The typical modeling workflow starts with structure prediction. Then, docking of target and aptamer is performed. Next, MD simulations are performed, which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy. Then, aptamer/ligand interactions are analyzed, and mutations of studied aptamers made. Subsequently, the whole procedure of molecular modeling can be reiterated. Thus, the interactions between aptamers and their ligands are complex and difficult to understand using only experimental approaches. Docking and MD are irreplaceable when aptamers are studied in silico.     

Lipid specificity and location of the sterol carrier protein-2 fatty acid-binding site: A fluorescence displacement and energy transfer study

Although it was recently recognized that sterol carrier protein-2 (SCP-2) interacts with fatty acids, little is known regarding the specificity of SCP-2 for long-chain fatty acids or branched-chain fatty-acid-like molecules. Likewise the location of the fatty-acid binding site within SCP-2 is unresolved. A fluorescent cis-parinaric acid displacement assay was used to show that SCP-2 optimally interacted with 14–22 carbon chain lipidic molecules: polyunsaturated fatty acids > monounsaturated, saturated > branched-chain isoprenoids > branched-chain phytol-derived fatty acids. In contrast, the other major fatty-acid binding protein in liver, fatty-acid binding protein (L-FABP), displayed a much narrower carbon chain preference in general: polyunsaturated fatty acids > branched-chain phytol-derived fatty acids > 14- and 16-carbon saturated > branched-chain isoprenoids. However, both SCP-2 and l-FABP displayed a very similar unsaturated fatty-acid specificity profile. The presence and location of the SCP-2 lipid binding site were investigated by fluorescence energy transfer. The distance between the SCP-2 Trp⁵⁰ and bound cis-parinaric acid was determined to be 40 Å. Thus, the SCP-2 fatty-acid binding site appeared to be located on the opposite side of the SCP-2 Trp⁵⁰. These findings not only contribute to our understanding of the SCP-2 ligand binding site but also provide evidence suggesting a potential role for SCP-2 and/or L-FABP in metabolism of branched-chain fatty acids and isoprenoids.     

Hippocampal Over-Expression of Cyclooxygenase-2 (COX-2) Is Associated with Susceptibility to Stress-Induced Anhedonia in Mice

The phenomenon of individual variability in susceptibility/resilience to stress and depression, in which the hippocampus plays a pivotal role, is attracting increasing attention. We investigated the potential role of hippocampal cyclooxygenase-2 (COX-2), which regulates plasticity, neuroimmune function, and stress responses that are all linked to this risk dichotomy. We used a four-week-long chronic mild stress (CMS) paradigm, in which mice could be stratified according to their susceptibility/resilience to anhedonia, a key feature of depression, to investigate hippocampal expression of COX-2, a marker of microglial activation Iba-1, and the proliferation marker Ki67. Rat exposure, social defeat, restraints, and tail suspension were used as stressors. We compared the effects of treatment with either the selective COX-2 inhibitor celecoxib (30 mg/kg/day) or citalopram (15 mg/kg/day). For the celecoxib and vehicle-treated mice, the Porsolt test was used. Anhedonic (susceptible) but not non-anhedonic (resilient) animals exhibited elevated COX-2 mRNA levels, increased numbers of COX-2 and Iba-1-positive cells in the dentate gyrus and the CA1 area, and decreased numbers of Ki67-positive cells in the subgranular zone of the hippocampus. Drug treatment decreased the percentage of anhedonic mice, normalized swimming activity, reduced behavioral despair, and improved conditioned fear memory. Hippocampal over-expression of COX-2 is associated with susceptibility to stress-induced anhedonia, and its pharmacological inhibition with celecoxib has antidepressant effects that are similar in size to those of citalopram.     

Complex of HIV-1 Integrase with Cellular Ku Protein: Interaction Interface and Search for Inhibitors

The interaction of HIV-1 integrase and the cellular Ku70 protein is necessary for HIV replication due to its positive effect on post-integration DNA repair. We have previously described in detail the Ku70 binding site within integrase. However, the integrase binding site in Ku70 remained poorly characterized. Here, using a peptide fishing assay and site-directed mutagenesis, we have identified residues I72, S73, and I76 of Ku70 as key for integrase binding. The molecular dynamics studies have revealed a possible way for IN to bind to Ku70, which is consistent with experimental data. According to this model, residues I72 and I76 of Ku70 form a “leucine zipper” with integrase residues, and, therefore, their concealment by low-molecular-weight compounds should impede the Ku70 interaction with integrase. We have identified such compounds by molecular docking and have confirmed their capacity to inhibit the formation of the integrase complex with Ku70. Our data demonstrate that the site of IN binding within Ku70 identified in the present work may be used for further search for inhibitors of the integrase binding to Ku70.     

Summarization for termination: no return!

We propose a program analysis method for proving termination of recursive programs. The analysis is based on a reduction of termination to two separate problems: reachability of recursive programs, and termination of non-recursive programs. Our reduction works through a program transformation that modifies the call sites and removes return edges. In the new, non-recursive program, a procedure call may non-deterministically enter the procedure body (which means that it will never return) or apply a summary statement.     

Diffusion welding of aluminium alloy strengthened by Al2O3 particles through an Al/Cu multilayer foil

In the diffusion welding (DW) of difficult-to-deform materials (such as composites and intermetallics), the application of intermediate multilayer foils (MF), which have alternating layers of elements that form intermetallics, allows for production of a permanent joint under milder conditions. In this paper, the processes occurring in the joint zone (JZ) during DW of Al–5 wt.%Mg+27 wt.%Al₂O₃ composite material through the Al/Cu interlayer were studied. It was shown that, while heating of such a foil, phase transformations that are due to the reaction diffusion of elements, run in it. At MF heating under a continuously applied external load, the materials are plastically deformed. It is established that the intensity of foil plastic deformation at a specified load non-monotonically depends on temperature. It is shown that welding temperature is determined by the temperature at which MF can undergo superplastic flow under the impact of applied pressure. A mechanism of formation for a solid-phase joint of high-strength materials through interlayers based on the MF of intermetallic-forming elements is proposed.     

Experimental Study of Film Condensation of FC-72 Vapour on Disk-Shaped Fin

The results of activity made in the framework of preparation of the experiment SAFIR (Single fin condensAtion: FIlm local measuRements) of European Space Agency are presented. First prototype of the test cell has been developed and tested. Confocal technique has been adopted for condensate film thickness measurements. Experiments on condensation of the liquid FC-72 have been carried out. Average heat transfer coefficient has been measured in the range of 880–1440 W/m² K and compared to the Nusselt theory.     

Over-phase control of inverter multiphase AC linear drives

The over-phase control method of inverter multiphase (i.e. having number of phases more than four) AC linear drives is developed by the authors of this paper. Its application allows to improve considerably a number of the drive technical-and-economic characteristics (speed of response, reliability, mass-and-overall dimensions, etc.). This control method can be used not only in the field of electrical AC drives, but also in the systems for electromagnetic stirring of molten metals. In these systems the application of one of versions of the over-phase-control for multiphase inverter-fed linear stators allows to increase the intensity of electromagnetic stirring of molten metals by providing with continuous change of the quantity, space location, and configuration of the vortex areas in the metal mass during the process of the above-mentioned stirring.