Finite elasto-viscoplastic modeling of polymers including asymmetric effects

Asymmetric effects between compression and tension are a pronounced behavior for glassy polymers such as polycarbonate. For its simulation an elasto-viscoplastic framework is formulated within a geometrically nonlinear theory. Here a new approach within the concept of stress mode dependent weighting functions is used, where each material parameter is additively decomposed into a sum of weighted stress mode-related quantities. The characterization of the stress modes is obtained in the octahedral plane of the deviatoric stress space in terms of the mode angle, such that stress mode dependent scalar weighting functions can be constructed. The constitutive equations are formulated for large strains in terms of logarithmic Hencky strains and its work conjugated Hill stresses. The resulting evolution equations are updated using a semi-implicit Euler scheme, and the algorithmic tangent operator is derived for the finite element equilibrium iteration. The numerical implementation is also used to identify the material parameters thus resulting into a good agreement with experimental data. Furthermore, the model is used to simulate the cold drawing processes for a dumbbell-shaped specimen in tension and a perforated strip in compression and tension.     

Synthesis of Novel Pyridothienopyrimidines,Pyridothienopyrimidothiazines, Pyridothienopyrimidobenzthiazoles and Triazolopyridothienopyrimidines

The reaction of 3‐amino‐4,6‐dimethylthieno[2,3‐b]pyridine‐2‐carboxamide (1a) or its N‐aryl derivatives 1b‐d with carbon disulphide gave the pyridothienopyrimidines 2a‐d , whilst when the same reaction was carried out using N¹‐arylidene‐3‐amino‐4,6‐dimethylthieno[2,3‐b]pyridine‐2‐carbohydrazides (1e‐h) , pyridothienothiazine 3 was obtained. Also, refluxing of 1b‐d with acetic anhydride afforded oxazinone derivative 4 . Compounds 2a and 2b‐d were also obtained by the treatment of thiazine 3 with ammonium acetate or aromatic amines, respectively. When compound 2a was allowed to react with arylidene malononitriles or ethyl α‐cyanocinnamate, novel pyrido[3″,2″:4′,5′]thieno[3′,2′:4,5]pyrimido[2,1‐b][1,3] thiazines 5a‐c were obtained. Treatment of 2b‐d with bromine in acetic acid furnished the disulphide derivatives 6a‐c . U.V. irradiation of 2b‐d resulted in the formation of pyrido[3″,2″:4′,5′]thieno[3′,2′:4,5]pyrimido[2,1‐b]benzthiazoles 7a‐c . The reaction of 2a‐d with some halocarbonyl compounds afforded the corresponding S‐substituted thiopyrido thienopyrimidines 8a‐j . Compound 8b was readily cyclized into the corresponding thiazolo[3″,2″‐a]‐pyrido[3′,2′:4,5]thieno[3,2‐d]pyrimidine 9 upon treatment with conc. sulphuric acid. Heating of 2a,b with hydrazine hydrate in pyridine afforded the hydrazino derivatives 11a,b . Reaction of ester 8c with hydrazine hydrate in ethanol gave acethydrazide 10 . Compounds 10 and 11a,b were used as versatile synthons for other new pyridothienopyrimidines 12–15 as well as [1,2,4] triazolopyridothienopyrimidines 16–19.     

The Chemical Profiling,Docking Study,and Antimicrobial and Antibiofilm Activities of the Endophytic fungi Aspergillus sp. AP5

Growing data suggest that Aspergillus niger, an endophytic fungus, is a rich source of natural compounds with a wide range of biological properties. This study aimed to examine the antimicrobial and antibiofilm capabilities of the Phragmites australis-derived endophyte against a set of pathogenic bacteria and fungi. The endophytic fungus Aspergillus sp. AP5 was isolated from the leaves of P. australis. The chemical profile of the fungal crude extract was identified by spectroscopic analysis using LC-HRESIMS. The fungal-derived extract was evaluated for its antimicrobial activity towards a set of pathogenic bacterial and fungal strains including Staphylococcus aureus, Pseudomonas aeruginosa, Proteus vulgaris, Klebsiella sp., Candida albicans, and Aspergillus niger. Moreover, antibiofilm activity toward four resistant biofilm-forming bacteria was also evaluated. Additionally, a neural-networking pharmacophore-based visual screening predicted the most probable bioactive compounds in the obtained extract. The AP5-EtOAc extract was found to have potent antibacterial activities against S. aureus, E. coli, and Klebsiella sp., while it exhibited low antibacterial activity toward P. Vulgaris and P. aeruginosa and displayed anticandidal activity. The AP5-EtOAc extract had significant antibiofilm activity in S. aureus, followed by P. aeruginosa. The active metabolites’ antifungal and/or antibacterial activities may be due to targeting the fungal CYP 51 and/or the bacterial Gyr-B.     

Adsorption,Thermodynamic, and Experimental Studies of Corrosion Inhibitor of Tin in 0.2 M Maleic Acid by Hydrogen Phosphate Ions (HPO42−)

The inhibition efficiency of H₂PO₄²⁻ ions against tin corrosion in 0.2 M maleic acid is studied using electrochemical methods, surface analytical methods, and thermodynamic analysis. The potentiodynamic polarization plots showed the presence of an active/passive transition state of the tin electrode. The EIS measurements confirmed that the inhibition efficiency of H₂PO₄²⁻ increased by increasing the concentration (η=81 % at C_inh=2.10⁻² M) and decreased by rising the temperature. The polarization tests demonstrated that the inhibitor performs as a cathodic-type. The adsorption of the inhibitor was spontaneous and followed the Langmuir adsorption isotherm. A model of the inhibition mechanism was suggested.     

Durable fluorescent cotton textile by immobilization of unique tetrahydrothienoisoquinoline derivatives

Cellulose - Due to the sensitivity for interchanging color by exposure to UV light, designing of fluorescent textiles is highly demanded to be employed in camping, military and sensing purposes....     

Utilization of a Propenone Derivative in the Synthesis of Some New Cytotoxic Heterocyclic Compounds

Russian Journal of Organic Chemistry - New diaryl-substituted pyridine, pyrimidine, pyrazole, and isoxazole derivatives bearing biphenyl-4-yl and 4-(dimethylamino)phenyl substituents have been...     

The removal of methylene blue as a remedy of dye-based marine pollution: a photocatalytic perspective

Research on Chemical Intermediates - The effluents containing the discarded water from the textile industry are graded as one of the foremost pollutants in all industrial sectors. The wide...     

Synthesis and Characterization of Polyaniline/Zeolite X Composites as Anticorrosion Coating Materials

The main target of this work is to choose the best preparation conditions to have a perfect yield of the new composites prepared from mixing Zeolite X with polyaniline. The preparation of polyaniline and polyaniline/Zeolite X composites as anticorrosion coat was studied. The composites were synthesized and characterized by X-ray diffraction, Fourier transform infrared spectroscopy and UV–visible spectroscopy techniques, which showed the successful synthesis.     

New water-soluble polymers and copolymers by interaction of polyelectrolytes with formamide

Viscometric measurements on aqueous solutions of the strongly acidic polyelectrolyte, poly(2-acrylamido, 2-methyl propane sulphonic acid) (PAS), have shown the necessity to include salt at a very high concentration in order to screen the charges. PAS was found to dissolve in formamide, but the properties of the isolated polymer demonstrated the occurrence of chemical changes during the dissolution process. Several procedures proved the conversion of sulphonic acid moieties to sulphonamide groups to an extent depending on the time and temperature of dissolution. At elevated temperature and extended times dissolution afforded complete conversion, i.e., a solution in formamide of a new neutral polymer, poly(2-acrylamido, 2-methyl propane sulphonamide) (PASAM), which does not require the inclusion of salts. By light scattering, the degree of polymerization of this PASAM was shown to be the same as that of the original PAS. The viscometric behavior of the PASAM in salt-free water was that of a neutral polymer. Similar tests on the dissolution of the weakly acidic polyelectrolyte, poly(acrylic acid) (PAA) in formamide also showed the occurrence of amidation, but even after extended times PAA is not converted completely to polyacrylamide. © 1992 John Wiley & Sons, Inc.     

Cyclic peptide conjugate of curcumin and doxorubicin as an anticancer agent

The hydrophobicity of curcumin creates hurdle towards its use in the anticancer therapy. Herein, we synthesized a curcumin-doxorubicin conjugated cyclic peptide scaffold to improve the solubility of curcumin and create a conjugate containing two anticancer agents. A solid-phase Fmoc/tBu solid phase methodology was used to synthesize a cell-penetrating nuclear targeting peptide with free thiol and amine groups, which was coupled with the activated doxorubicin (Dox) and curcumin, affording Dox-peptide-curcumin conjugate (DPCC) (10). The antiproliferative activity of the conjugate was evaluated in human leukemia carcinoma cell (CCRF-CEM), human ovarian carcinoma cell (SKOV-3), and normal kidney cell line (LLCPK). Cyclic peptide-doxorubicin conjugate (7) and DPCC (10) did not inhibit the proliferation of normal kidney LLCPK cells after 72?h incubation, but were cytotoxic in CCRF-CEM (73% and 41%, respectively) and SKOV-3 (55% and 30%, respectively) cells while Dox was cytotoxic (60–79%) in all three cell lines under similar conditions, suggesting selectivity of these compounds towards cancer cells.