Synthesis,Computational Studies and Assessment of in Vitro Activity of Squalene Derivatives as Carbonic Anhydrase Inhibitors

We report novel molecules incorporating the nontoxic squalene scaffold and different carbonic anhydrase inhibitors (CAIs). Potent inhibitory action, in the low-nanomolar range, was detected against isoforms hCA II for sulfonamide derivatives, which proved to be selective against this isoform over the tumor-associate hCA IX and XII isoforms. On the other hand, coumarin derivatives showed weak potency but high selectivity against the tumor-associated isoform CA IX. These compounds are interesting candidates for preclinical evaluation in glaucoma or various tumors in which the two enzymes are involved. In addition, an in silico study of inhibitor-bound hCA II revealed extensive interactions with the hydrophobic pocket of the active site and provided molecular insights into the binding properties of these new inhibitors.     

Impact strength elastomer composites based on polystyrene components separated from waste electrical and electronic equipment

The reuse of plastic components of waste electrical and electronic equipment (WEEE) is an important concern both for environmental issues and to preserve the material resources, with minimum energy consumption. Considering that polystyrene fraction was reported as approximate 80% of the total amount of WEEE plastic, this article aims to evaluate the recycling of this fraction, without separation by components, by melt compounding with styrene-butadiene block-copolymer (SBS) and hydrogenated and maleinized SBS, the blend of the two elastomers acting both as an impact modifier and compatibilizer. The composites are characterized by mechanical analysis, impact tests, dynamic mechanical analysis, differential scanning calorimetry, thermogravimetric analysis, scanning electron microscopy, energy dispersive X-ray analysis, and X-ray diffraction. The recycling conditions of the polystyrene fraction as composites without eliminating the WEEE additives for improved UV and flame resistance, with physical mechanical properties comparable to those of high-impact polystyrene resulted from the study. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48329.     

Self-doped N-propansulfonic acid polyaniline-polyethylene terephthalate film used as active sensor element for humidity or gas detection

In this work, we report the fabrication of sensors’ element for humidity or gases, prepared by in situ polymerization of aniline N-propansulfonic acid using ammonium persulfate in acidic medium. The polymer is being used in the form of powder or deposited in multiple layers onto the PET film. Various techniques including Fourier Transform infrared (FTIR), ultraviolet-–visible spectroscopy (UV–vis), X-ray diffraction (XRD) and scanning electron microscopy (SEM) were employed to characterize the as-prepared sensing materials. The film has been tested for humidity influence, where the significant variations in electrical characteristics were observed, suggesting its usefulness for humidity sensors. Also, for different organic and inorganic gases, a relatively low operating temperature and important sensitivity were observed that indicate its applicability as an active element for general gases sensors. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47743.     

盐水介质中Ti12Mo5Ta合金的电化学特性(英文)

比较了未再结晶和再结晶Ti12Mo5Ta合金、未再结晶Ti12Mo合金和工业用纯钛(cp-Ti)在0.9%生理盐水(pH 2.3)中37°C下的电化学行为。从阳极极化曲线中得到了极低的钝化电流密度(10-6 A/cm2),这表明所有样品在酸性0.9%NaCl溶液中具有高的耐蚀性能。采用扫描电子显微镜(SEM)观察样品的表面形貌,发现所有样品表面受到了相同的腐蚀,而且经阳极动电位极化测试后的样品表面没有出现点蚀、裂纹或其它缺陷。使用等效电路模拟电化学阻抗谱(EIS)数据,以表征样品表面且更好地理解Mo和Ta的添加对cp-Ti及再结晶的影响。EIS结果证实,在开路电位下,所有样品在0.9%NaCl溶液(pH 2.3)中产生钝化(极化电阻约为105Ω·cm2)。在37°C时,样品在0.9%NaCl溶液中(pH 2.3)的耐蚀性顺序为:再结晶Ti12Mo5Ta未再结晶Ti12Mo5Ta未再结晶Ti12Mocp-Ti。     

Neural network modeling of the preparation process of a siloxane‐organic polyazomethine

Although apparently simple, the polycondensation reaction leading to polyazomethine is difficult to control because of its equilibrium character, the conversion degree being influenced by a series of parameters. The reaction between a siloxanediamine, 1,3‐bis(3‐aminopropyl)tetramethyldisiloxane, and terephthalaldehyde was performed here in solution (in tetrahydrofuran) without by‐products removal and in absence of any catalyst or pH modifier. Different conditions (co‐monomers ratio, dilution, and temperature), considered as input parameters for the process modeling, were varied according to a pre‐established experimental program. The viscosity of the reaction mixture was chosen as output parameter, being monitored with a Haake Viscotester 7 Plus‐L. The process modeling was performed using a hybrid combination of artificial neural networks and differential evolution algorithm, the last one having the role of developing the neural model in an optimal form. The simulation results showed that the methodology provides accurate results, the model predictions being in close correlation with the experimental data. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42552.     

Accepting Networks of Evolutionary Processors with Subregular Filters

We propose a new variant of Accepting Networks of Evolutionary Processors, in which the operations are applied at arbitrary positions to the processed words (rather than at the ends of words only) and where the filters are languages from several special classes of regular sets. More precisely, we show that the use of filters from the class of non-counting, ordered, power-separating, suffix-closed regular, union-free, definite and combinational languages is as powerful as the use of arbitrary regular languages and yields networks that can accept all the recursively enumerable languages. On the other hand, by using filters that are only finite languages, monoids, nilpotent languages, commutative regular languages, or circular regular languages, one cannot generate all recursively enumerable languages. These results seem interesting as they provide both upper and lower bounds on the classes of languages that one can use as filters in an accepting network of evolutionary processors in order to obtain a complete computational model.     

Intuitionistic fuzzy system for fingerprints authentication

Using a fuzzy logic control system, we propose in this paper an optimized method to reduce the points number to be used in order to identify a person using fuzzy fingerprints. Two fingerprints are similar if n out of N points from the skin are identical. We discuss a criteria to choose these points. Our method compares two matching sets and selects the optimal set from these, using a fuzzy reasoning system based on intuitionistic fuzzy numbers. The advantage of our method with respect to the classical existing methods consists in a smaller number of calculations.     

Betulinic Acid in Complex with a Gamma-Cyclodextrin Derivative Decreases Proliferation and in Vivo Tumor Development of Non-Metastatic and Metastatic B164A5 Cells

Betulinic acid, a very promising anti-melanoma agent, has very low water solubility that causes low bioavailability. To overcome this inconvenience, a highly water-soluble cyclodextrin was used (octakis-[6-deoxy-6-(2-sulfanyl ethanesulfonic acid)]-γ-cyclodextrin). The complex was physico-chemically analyzed using differential scanning calorimetry (DSC), X-ray and scanning electron microscopy (SEM) methods and then in vitro tested for its antiproliferative activity by the MTT assay and by cell cycle analysis. Finally, the complex was tested in vivo using an animal model of murine melanoma developed in C57BL/6J mice, where it caused a reduction in tumor volume and weight. The study revealed the beneficial influence of betulinic acid inclusion into the cyclodextrin in terms of antiproliferative activity and in vivo tumor development.     

Studies of dynamic crack propagation and crack branching with peridynamics

In this paper we discuss the peridynamic analysis of dynamic crack branching in brittle materials and show results of convergence studies under uniform grid refinement (m-convergence) and under decreasing the peridynamic horizon (δ-convergence). Comparisons with experimentally obtained values are made for the crack-tip propagation speed with three different peridynamic horizons. We also analyze the influence of the particular shape of the micro-modulus function and of different materials (Duran 50 glass and soda-lime glass) on the crack propagation behavior. We show that the peridynamic solution for this problem captures all the main features, observed experimentally, of dynamic crack propagation and branching, as well as it obtains crack propagation speeds that compare well, qualitatively and quantitatively, with experimental results published in the literature. The branching patterns also correlate remarkably well with tests published in the literature that show several branching levels at higher stress levels reached when the initial notch starts propagating. We notice the strong influence reflecting stress waves from the boundaries have on the shape and structure of the crack paths in dynamic fracture. All these computational solutions are obtained by using the minimum amount of input information: density, elastic stiffness, and constant fracture energy. No special criteria for crack propagation, crack curving, or crack branching are used: dynamic crack propagation is obtained here as part of the solution. We conclude that peridynamics is a reliable formulation for modeling dynamic crack propagation.     

Complexity-preserving simulations among three variants of accepting networks of evolutionary processors

In this paper we consider three variants of accepting networks of evolutionary processors. It is known that two of them are equivalent to Turing machines. We propose here a direct simulation of one device by the other. Each computational step in one model is simulated in a constant number of computational steps in the other one while a translation via Turing machines squares the time complexity. We also discuss the possibility of constructing simulations that preserve not only complexity, but also the shape of the simulated network.