Thermal analysis of interpenetrating polymer networks through molecular dynamics simulations: a comparison with experiments

Journal of Thermal Analysis and Calorimetry - In this work, we verified the synthesis of a novel sequential interpenetrating polymer network, composed of poly(2-hexyl-ethylacrylate) and...     

Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications,especially dye-sensitized solar cells

Research on Chemical Intermediates - A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a...     

Action of Hydrazines on 2‐(2‐Oxindolin‐3‐ylidene)malononitrile, (E,Z)‐Ethyl 2‐cyano‐2‐(2‐oxindolin‐3‐ylidene)acetate and Isatin‐β‐thiosemicarbazone as a Source of Spiro Indoline‐pyrazole Systems

2‐(2‐Oxindolin‐3‐ylidene)malononitrile ( 1a ) or (E,Z)‐ethyl 2‐cyano‐2‐(2‐oxindolin‐3‐ylidene)acetate ( 1b ) or isatin‐β‐thiosemicarbazone ( 1c ) undergoes reactions with prototype hydrazine hydrate itself and some of its simple congeners to give hydrazone derivatives bearing indoline‐2‐one moiety ( 2 ). The hydrazone derivatives ( 2 ) when heated with acetyl acetone or ethyl acetoacetate in dry pyridine afforded the spiro indoline derivatives ( 3a , 3b ). Also, cinnoline derivative ( 9 ) is obtained by action of hydrazine hydrate on the N‐acetyl derivative of ( 6a ). The structures of the newly synthesized compounds were evaluated by IR, ¹H‐NMR spectroscopy, mass spectra and elemental analyses.     

Phototherapeutic Effect of Low‐Level Laser on Thyroid Gland of Gamma‐Irradiated Rats

One inescapable feature of life on the earth is exposure to ionizing radiation. The thyroid gland is one of the most sensitive organs to gamma‐radiation and endocrine disrupters. Low‐level laser therapy (LLLT) has been used to stimulate tissue repair, and reduce inflammation. The aim of this study was to gauge the value of using Helium–Neon laser to repair the damaged tissues of thyroid gland after gamma‐irradiation. Albino rats were used in this study (144 rats), divided into control, gamma, laser, and gamma plus laser‐irradiated groups, each group was divided into six subgroups according to time of treatment (total six sessions). Rats were irradiated once with gamma radiation (6 Gy), and an external dose of laser (Wavelength 632.8 nm, 12 mW, CW, Illuminated area 5.73 cm², 2.1 mW cm^?2, 120 s, 1.4 J, 0.252 J cm^?2) twice weekly localized on thyroid region of the neck, for a total of six sessions. Animals were sacrificed after each session. Analysis included thyroid function, oxidative stress markers, liver function and blood picture. Results revealed improvement in thyroid function, liver function and antioxidant levels, and the blood cells count after LLLT.     

New Zn(II) complexes based on biologically active substituted acetic acid and nitrogen donor ligands: synthesis,crystal structure and biological applications

The complexes [Zn(phenylacetato)₂(2-aminopyridin)₂] (3), [Zn(phenylacetato)₂(1,10-phenanthroline)]·H₂O (4), and [Zn(phenylacetato)₂(2,9-dimethyl-1,10-phenanthroline)]·0.5 H₂O (5) were prepared and characterized by IR-, UV–Visible, ¹H and ¹³C NMR spectroscopy, and single crystal X-ray diffraction. BNPP hydrolysis of the complexes and their parent nitrogen ligands showed that the hydrolysis rate of bis-(4-nitrophenyl) phosphate (BNPP) was 1.7 × 10⁵ L mol^?1 s^?1 for 3, 3.1 × 10⁵ L mol^?1 s^?1 for 4 and 4.3 × 10⁴ L mol^?1 s^?1 for 5. Antibacterial activities show the effect of complexation on activity against Gram-positive (S. epidermidis, S. aureus, E. faecalis, M. luteus and B. subtilis) and Gram-negative (K. pneumonia, E. coli, P. mirabilis and P. aeruginosa) bacteria using the agar well diffusion method. Complex 4 showed good activity against G? bacteria except P. aeruginosa, and against G+ bacteria except E. ferabis. Complex 5 showed no activity against G? bacteria, low activity against M. luteus and B. subtilis bacteria and high activity against S. epidemidis and S. aureus. Complex 3 did not show any activity against G? or G+ bacteria.     

Microdroplet size prediction in microfluidic systems via artificial neural network modeling for water-in-oil emulsion formulation

In this paper, an experimental study and modeling by artificial neural networks were carried out to predict the generated microdroplet dimensionless size in a microfluidic system in order to formulate a water-in-oil emulsion. The various parameters that affect the size of microdroplets (flow rates, viscosities, surface tensions of both the two phases and the diameter of the microchannel) are studied and further grouped into dimensionless numbers; we used these numbers as input to the neural network and the dimensionless length as output. The better neural network architecture has 10 neurons in the hidden layer with a mean square error of 1.4 10^?6 and a determination’s coefficient near 1 value. The relative importance of inputs on the size of the microdroplets has been determined using the Garson algorithm and the results are in good agreement with other works.     

Mammalian Arginase Inhibitory Activity of Methanolic Extracts and Isolated Compounds from Cyperus Species

Polyphenolic enriched extracts from two species of Cyperus, Cyperus glomeratus and Cyperus thunbergii, possess mammalian arginase inhibitory capacities, with the percentage inhibition ranging from 80% to 95% at 100 µg/mL and 40% to 64% at 10 µg/mL. Phytochemical investigation of these species led to the isolation and identification of two new natural stilbene oligomers named thunbergin A-B (1–2), together with three other stilbenes, trans-resveratrol (3), trans-scirpusin A (4), trans-cyperusphenol A (6), and two flavonoids, aureusidin (5) and luteolin (7), which were isolated for the first time from C. thunbergii and C. glomeratus. Structures were established on the basis of the spectroscopic data from MS and NMR experiments. The arginase inhibitory activity of compounds 1–7 was evaluated through an in vitro arginase inhibitory assay using purified liver bovine arginase. As a result, five compounds (1, 4–7) showed significant inhibition of arginase, with IC₅₀ values between 17.6 and 60.6 µM, in the range of those of the natural arginase inhibitor piceatannol (12.6 µM). In addition, methanolic extract from Cyperus thunbergii exhibited an endothelium and NO-dependent vasorelaxant effect on thoracic aortic rings from rats and improved endothelial dysfunction in an adjuvant-induced arthritis rat model.     

Facile synthesis of silver doped-copper oxide nano materials utilizing areca catechu (AC) leaf extract and their antidiabetic and anticancer studies

The present research highlights physical significance of green combination of metal oxide nanomaterials utilizing medicinal plant which has widely analyzed in different medical applications i.e., medicinal science, therapeutics. In this paper, we discussed environmentally benign approach for synthesizing silver doped copper oxide nanoparticles (Ag–CuO NPs) utilizing (ACLE). Scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) were utilized to confirm the size, crystalline structure and surface morphology of the obtained nanomaterials. The monoclinic crystalline structure of the Ag–CuO NPs as produced was revealed by XRD patterns. Morphological analysis disclosed the nano-based spherical configuration of Ag–CuO NPs, as well as their morphology and elemental composition. The anti-diabetic effect of Ag–CuO NPs was further investigated utilizing a yeast cell model and amylase inhibition. Here, a decrease in intracellular glucose and a delay in carbohydrate digestion indicate promising antidiabetic action. Furthermore, the prepared nanomaterial showed anticancer potential against the MCF-7 cancer cell line, with an IC ₅₀ value of 11.21 g/ml.     

Thermal radiation impact on magneto-hydrodynamic heat transfer micropolar fluid flow over a vertical moving porous plate: A finite difference approach

For this research, an examination on the magnetohydrodynamic flow of a micropolar fluid across a moving vertical porous plate for the presence of thermal radiation is achieved. It is necessary to translate the partial differential equations regulating the flow, heat, & mass transfer into dimensionless form employing proper non-dimensional variables, which are then cracked numerically by utilizing the Finite difference approach. Graphs are used to represent numerical values of various flow profiles; however, tables are used to represent the simulated values of rate coefficients. The velocity rises when the value of Grashof number, dimensionless viscosity ratio is raised, and the opposite effect is seen when the value of magnetic parameter, micro-gyration factor is raised. The result in skin friction coefficient improves when the values of magnetic parameter, micro-gyration factor, Prandtl number, and radiation are raised higher.