Unravelling the anticancer potency of 1,2,4-triazole-N-arylamide hybrids through inhibition of STAT3: synthesis and in silico mechanistic studies

Molecular Diversity - The discovery of potent STAT3 inhibitors has gained noteworthy impetus in the last decade. In line with this trend, considering the proven biological importance of...     

Synthesis and crystal structure of some 3,5-pyrazolidinediones

Syntheses of various derivatives of 3,5-pyrazolidenedione are reported. This includes 4-arylidene (alkylidene or aralkylidene)-3,5-pyrazolidinediones, which on epoxidation gave unreported oxiranes. The syntheses of these derivatives were based on either the Knoevenagel reaction of carbonyl derivatives with 3,4-pyrazolidinedione or cyclization of arylidene (alkylidene) malonic acid hydrazide with glacial acetic acid. 4-Arylazo-3,5-pyrazolidinedione derivatives were also prepared by coupling of aryldiazonium salts with 3,5-pyrazolidinedione or cyclization of arylazomalonic acid hydrazide. Reduction of 4-benzylidene derivatives gave the corresponding benzyl derivatives. The structure of the new products was confirmed by elemental and spectral analyses and X-ray crystallography.     

Étude structurale de britholite au césium Sr7La2Cs(PO4)5(SiO4)F2

Several studies demonstrated the ability of britholites to retain radionuclides such as the caesium and actinides. Therefore, three compounds with formulas Sr₈LaCs(PO₄)₆F₂, Sr₇La₂Cs(PO₄)₅(SiO₄)F₂ and Sr₂La₇Cs(SiO₄)₆F₂, were prepared by solid state reaction. However, it seems that only the mono-silicated composition was obtained in a pure state. In this present work, the X-ray diffraction and magnetic nuclear resonance have been used to investigate the structure for this composition. The results showed that in fact this phase was not pure, but it was mixed with a secondary phase, SrLaCs(PO₄)₂. The refinement by the Rietveld method allowed also to precise the distribution of La³⁺ and Cs⁺ ions between the two cationic sites of the apatite.     

Lead-nano-dopings effects on the structural,microstructural, vibrational and thermal properties of Bi2−xPbxSrV2O9 layered perovskite

The sample with in the general formula Bi_2-xPb_xSrV₂O₉, where x = 0.0, 0.05, 0.1, 0.2, 0.3, and 0.6 mol were synthesized by the high temperature solid state reaction and firing method. The X-ray diffractograms confirmed the formation of single phased layered perovskite in all samples. TGA and DTA thermal analyses on the green samples included steps of thermal analysis of strontium carbonate, bismuth carbonate, ammonium vanadate, lead oxide and finally on the high temperature solid state formation. The effect of lead dopings on the sintering, structural and micro-structure, properties of 212BiSrV-ceramics were investigated. The infrared absorption spectra show a series of vibrational modes within the range of 400–1600 cm^?1.     

New concept of failure of thin organic films

A critical (steady state) value of the thermal expansion coefficients of different coatings was determined by a nondestructive technique (NDT) known as laser shearography. The behavior of organic coatings, i.e., ACE premium-grey enamel, a yellow acrylic lacquer, and a gold nail polish on a metallic alloy, i.e., a carbon steel, was investigated over a temperature range of 20–60 °C. The value of the thermal expansion coefficients of coatings was derived from the slope of the plot of the thermal deformation (strain) versus the applied temperature. The integrity of the coatings with respect to time was assessed by comparison the measured coefficients of thermal expansion (CTE) to the critical (steady state) or asymptotic value of CTE. By shearography, measurement of coating properties could be performed independent of parameters such as UV exposure, humidity, presence of chemical species, and other parameters which may normally interfere with conventional methods of the assessing of the integrity of coatings. Therefore, one may measure CTE of coatings, regardless of the history of the coating, in order to assess the integrity of coatings. Also, the obtained shearography data were found to be in a reasonable trend with the data of electrochemical impedance spectroscopy (EIS) in 3%NaCl solution.     

f-algebras with a \sigma -bounded approximate unit

Let $X$ be a lattice ordered algebra ( $\ell $ -algebra). A positive element $x\in $ $X$ is said to be totally bounded if $x^{2}\le x$ . The $\ell $ -algebra $X$ is said to have a $\sigma $ -bounded approximate unit if for each positive linear functional $f$ on $X$ the set $\left\{ f(x)\text{: } x \text{ totally } \text{ bounded }\right\} $ is bounded in $\mathbb R $ . In this paper we study the class of $f$ -algebras with a $\sigma $ -bounded approximate unit which contains the class of all unital $f$ -algebras. In particular It is shown that an $f$ -algebra $X$ has a $\sigma $ -bounded approximate unit if and only if the order bidual $X^{\sim \sim }$ is a unital $f$ -algebra.     

Self-Duality of Polytopes and its Relations to Vertex Enumeration and Graph Isomorphism

We study the complexity of determining whether a polytope given by its vertices or facets is combinatorially isomorphic to its polar dual. We prove that this problem is Graph Isomorphism hard, and that it is Graph Isomorphism complete if and only if Vertex Enumeration is Graph Isomorphism easy. To the best of our knowledge, this is the first problem that is not equivalent to Vertex Enumeration and whose complexity status has a non-trivial impact on the complexity of Vertex Enumeration irrespective of whether checking Self-duality turns out to be strictly harder than Graph Isomorphism or equivalent to Graph Isomorphism. The constructions employed in the proof yield a class of self-dual polytopes that are interesting on their own. In particular, this class of self-dual polytopes has the property that the facet-vertex incident matrix of the polytope is transposable if and only if the matrix is symmetrizable as well. As a consequence of this construction, we also prove that checking self-duality of a polytope, given by its facet-vertex incidence matrix, is Graph Isomorphism complete, thereby answering a question of Kaibel and Schwartz.     

A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts

We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analog from TRSS data at times as short as 1 ps in a relatively simple way. Using the time-domain relaxation data obtained by this method we show that DW factors evaluated at times ≥ 40 ps can be directly influenced by α relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glassforming systems.     

Design and implementation of an array of micro-electrochemical detectors for two-dimensional liquid chromatography—Proof of principle

Simultaneous two-dimensional liquid chromatography (2D-LC) is an implementation of two-dimensional liquid chromatography which has the potential to provide very fast, yet highly efficient separations. It is based on the use of time × space and space × space separation systems. The basic principle of this instrument has been validated long ago by the success of two-dimensional thin layer chromatography. The construction of a pressurized wide and flat column (100 mm × 100 mm × 1 mm) operated under an inlet pressure of up to 50 bar was described previously. However, to become a modern analytical method, simultaneous 2D-LC requires the development of detectors suitable for the monitoring of the composition of the eluent of this pressurized planar, wide column. An array of five equidistant micro-electrochemical sensors was built for this purpose and tested. Each sensor is a three-electrode system, with the working electrode being a 25 μm polished platinum micro-electrode. The auxiliary electrode is a thin platinum wire and the reference electrode an Ag/AgCl (3 M sat. KCl) electrode. In this first implementation, proof of principle is demonstrated, but the final instrument will require a much larger array.