Spectral characterization of apatite formation on poly(2-hydroxyethylmethacrylate)-TiO2 nanocomposite film prepared by sol-gel process

Poly(2-hydroxyethylmethacrylate) films incorporated with titanium dioxide nanoparticles were successfully synthesized by an in situ sol-gel process. The in vitro bioactive properties of the films were assessed after immersion in simulated body fluid for up to 21 days through biomimetic method. Hydroxyapatite formation was observed on the surfaces of nanocomposites. This indicates that prepared composites are bioactive. Fourier transforms infrared spectroscopy, X-ray diffraction patterns, X-ray photoelectron spectroscopy and scanning electron microscope images confirm the hydroxyapatite formation on nanocomposite. The present study provides an analytical method for the assessment of titanium dioxide nanoparticles filled poly(2-hydroxyethylmethacrylate) polymer nanocomposites for biomedical applications.     

Novel glitazones as PPARγ agonists: molecular design,synthesis, glucose uptake activity and 3D QSAR studies

Background

An alarming requirement for finding newer antidiabetic glitazones as agonists to PPARγ are on its utmost need from past few years as the side effects associated with the available drug therapy is dreadful. In this context, herein, we have made an attempt to develop some novel glitazones as PPARγ agonists, by rational and computer aided drug design approach by implementing the principles of bioisosterism. The designed glitazones are scored for similarity with the developed 3D pharmacophore model and subjected for docking studies against PPARγ proteins. Synthesized by adopting appropriate synthetic methodology and evaluated for in vitro cytotoxicity and glucose uptake assay. Illustrations about the molecular design of glitazones, synthesis, analysis, glucose uptake activity and SAR via 3D QSAR studies are reported.

Results

The computationally designed and synthesized ligands such as 2-(4-((substituted phenylimino)methyl)phenoxy)acetic acid derivatives were analysed by IR, ¹H-NMR, ¹³C-NMR and MS-spectral techniques. The synthesized compounds were evaluated for their in vitro cytotoxicity and glucose uptake assay on 3T3-L1 and L6 cells. Further the activity data was used to develop 3D QSAR model to establish structure activity relationships for glucose uptake activity via CoMSIA studies.

Conclusion

The results of pharmacophore, molecular docking study and in vitro evaluation of synthesized compounds were found to be in good correlation. Specifically, CPD03, 07, 08, 18, 19, 21 and 24 are the candidate glitazones exhibited significant glucose uptake activity. 3D-QSAR model revealed the scope for possible further modifications as part of optimisation to find potent anti-diabetic agents.

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Design,synthesis and molecular docking studies of some 1-(5-(2-fluoro-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)piperazine derivatives as potential anti-inflammatory agents

Molecular Diversity - We herein report the facile synthesis of a series of 3,5-substituted-1,2,4-oxadiazole derivatives in good to excellent yields. The anti-inflammatory potential of the newly...     

100 MeV Si8+ ion induced luminescence and thermoluminescence of nanocrystalline Mg2SiO4:Eu3+

Nanoparticles of Mg₂SiO₄:Eu³⁺ have been prepared by the solution combustion technique and the grain size estimated by PXRD is found to be in the range 40–50 nm. Ionoluminescence (IL) studies of Mg₂SiO₄:Eu³⁺ pellets bombarded with 100 MeV Si⁸⁺ ions with fluences in the range 1.124–22.48×10¹² ions cm^?2 are carried out at IUAC, New Delhi, India. Five prominent IL bands with peaks at 580 nm, 590 nm, 612 nm, 655 nm and 705 nm are recorded. These characteristic emissions are attributed to the luminescence centers activated by Eu³⁺ cations. It is found that IL intensity decreases rapidly in the beginning. Later on, the intensity decreases slowly with further increase of ion fluence. The reduction in the ionoluminescence intensity with increase of ion fluence might be attributed to degradation of Si–O (ν₃) and Si–O (2ν₃) bonds present on the surface of the sample. The red emission with peak at 612 nm is due to characteristic emission of ⁵D₀→⁷F₂ of the Eu³⁺ cations. Thermoluminescence (TL) studies of Mg₂SiO₄:Eu³⁺ pellets bombarded with 100 MeV Si⁸⁺ cations with fluences in the range 5×10¹¹ ions cm^?2 to 5×10¹³ ions cm^?2 are made at RT. Two prominent and well resolved TL glows with peaks at ～220 °C and ～370 °C are observed. It is observed that TL intensity increases with increase of ion fluence. This might be due to creation of new traps during swift heavy ion irradiation.     

Parallel finite volume method-based fluid flow computations using OpenMP and CUDA applying different schemes

Journal of Thermal Analysis and Calorimetry - Parallelization of inhouse develpoed code for numerical computations on heterogeneous computing machine is becoming common. As the numerical...     

Asymmetric synthesis of novel thioiso dideoxynucleosides with exocyclic methylene as potential antiviral agents

Novel thioiso pyrimidine and purine nucleosides substituted with exocyclic methylene have been synthesized, starting from D-xylose. The glycosyl donor 14 was synthesized from D-xylose, using cyclization of dimesylate 10 with sodium sulfide as a key step. Cyclization proceeded in pure S(N)2 reaction without going through S(N)1 reaction in the presence of an allylic functional group at low reaction temperature (0 degrees C) in polar solvent (DMF), affording compound 12 as a major product. At higher temperatures, S(N)2' product 11 was almost exclusively obtained as a major product. On the other hand, glycosylation of 14 with 6-chloropurine under Mitsunobu conditions afforded the desired S(N)2 product 26, while palladium-catalyzed glycosylation resulted in the sole formation of S(N)2' product 34.     

Positive Temperature Coefficient Characteristics of Multi-walled Carbon Nanotube Filled Polyvinylidene Fluoride Nanocomposites

Composites of polyvinylidene fluoride (PVDF) and multi-wall carbon nanotubes (MWNT) were prepared by a melt mixing process. Temperature dependence of electrical properties of the nanocomposites was investigated for composites containing different amounts of MWNT. An obvious positive temperature coefficient was observed. It was found that resistivity of the composites was decreased with increasing MWNT content and the electrical percolation threshold was formed at 3 wt% MWNT, which were caused by the formation of conductive chains in the composites. The mechanism of the positive temperature coefficient behavior of the nanocomposites is discussed. The rheological results showed that the materials experience a fluid–solid transition at the composition of 2 wt%, beyond which a continuous MWNT network forms throughout the matrix leading to a percolated network structure, which further indictes the nanotubes were dispersed uniformaly, in the PVDF matrix.     

Damage creation in swift heavy ion-irradiated calcite single crystals: Raman and infrared study

Raman and Infrared studies were carried out on pristine and 100 MeV Ag(8+) ion irradiated calcite single crystals in the fluence range 1 x 10(11) to 1 x 10(13)ions/cm(2). Raman and Infrared modes were assigned according to factor theory analysis. It is observed that the intensities of the Raman and infrared bands decrease with increase of ion fluence. The decrease of these bands is attributed to breakage of carbonate ions and other details are discussed.     

Ionoluminescence and photoluminescence studies of Ag ion irradiated kyanite

Ionoluminescence (IL) of kyanite single crystals bombarded with 100 MeV swift Ag⁸⁺ ions with fluences in the range 1.87-7.5×10¹¹ ions/cm² has been studied. A pair of sharp IL peaks at ∼689 and 706 nm along with broad emission in the region 710-800 nm are recorded in both crystalline and pelletized samples. Similar results are recorded in Photoluminescence (PL) of pelletized kyanite bombarded with same ions and energy with fluences in the range 1×10¹¹-5×10¹³ ions/cm² with an excitation of 442 nm laser beam. The characteristic pair of sharp emission peaks at 689 and 706 nm in both IL and PL is attributed to luminescence centers activated by Fe²⁺ and Fe³⁺ ions. The reduction in IL and PL bands intensity with increase of ion fluence might be attributed to degradation of Si-O (2ν₃) bonds, present on the surface of the sample.     

Thermal resistance and mechanical stability of tungsten oxide filled polymer composite radiation shields

Abstract

The influence of tungsten oxide on thermal and mechanical properties of Isophthalic polyester was studied in detail. Ultrasonication technique was successful in dispersing WO₃ filler particles upto 40?wt% into the polymer matrix and was confirmed through the Scanning Electron Microscopy technique. The mechanical strength of the composites was found to increase with increase in the WO3 content and is acting as a reinforcer. About 77.4%, 65.4% and 7–8 times increase was observed in tensile, flexural and compressive strength respectively with respect to pristine. The thermogram of the composites reveal two stages of degradation. Maximum weight loss was observed in the first stage of degradation in almost all the composites. The initial degradation temperature of the composites range from 151?°C–226?°C. Activation energy was estimated using Horowitz–Metzger kinetic theory and was found to range from 25.31 to 78.58?kJ/Mol. The 50?wt% WO3 filled composite exhibits excellent thermal stability and mechanical strength. Thus, WO₃ filler particles were successful in enhancing the thermal and mechanical strength of Isophthalic polyester.