Efficient synthesis of mono- and bis-arylated ethylenedioxy thiophene-based functional π-conjugated molecules via clay-supported palladium-catalysed direct arylation reactions

An active Pd catalyst was prepared by the modification of montmorillonite clay. The catalyst was found to be effective for the synthesis of ethylenedioxy thiophene-based π-conjugated molecules. The reaction proceeded through clay-supported Pd-catalysed direct C–H bond activation (arylation) mechanism. Preparation, characterization and application of the catalysts are reported. The products were analysed with LCMS, and comparison with reported spectral data (FT-IR, ¹H NMR). Reusability of clay-supported palladium catalyst towards direct arylation reaction was tested for three reaction cycles without a significant loss of catalytic activity.

     

Surface plasmon resonance based fiber optic sensor utilizing indium oxide

A highly sensitive surface plasmon resonance (SPR) based fiber optic sensor with indium oxide (In₂O₃) layer coated on the core of the optical fiber is presented and theoretically analyzed. The sensitivity of the SPR based fiber optic sensor has been evaluated numerically. It is shown that the proposed SPR based fiber optic sensor with In₂O₃ layer possesses high sensitivity in the near infrared region of spectrum, which needs attention to many environmental and security applications and offers more accurate and highly reproducible measurements. In addition, the sensitivity of the SPR based fiber optic sensor decreases with the increase in the thickness of In₂O₃ layer. With sensitivity as high as 4600 nm/RIU, the 170 nm thick In₂O₃ layer based fiber optic SPR sensor demonstrates better performance.     

Development of injectable high molecular weight hyaluronic acid hydrogels for cartilage regeneration

The study focuses on developing hyaluronic acid (1200 kilo Dalton) hydrogels for cartilage regeneration. In spite of being highly biocompatible; a large amount of water absorption and easily degrading nature restricts the use of hyaluronic acid in the field of tissue regeneration. This can be rectified by crosslinking hyaluronic acid with a crosslinking agent such as divinyl sulfone; which results in a biocompatible hydrogel with superior rheological properties. Different amounts of divinyl sulfone have been used for crosslinking hyaluronic acid to get three types of hydrogels with differing properties. Swelling studies, rheology analysis, enzymatic degradation and scanning electron microscopic analysis were conducted on all the different types of hydrogels prepared. Viscoelastic properties of the hydrogel were analyzed so that a hydrogel with better elastic property and stability is obtained. Scanning electron microscopy was used to study the morphology of the HA hydrogels. The cytotoxicity testing was conducted to prove the non-toxic nature of the hydrogels and cell culture studies using adipose mesenchymal stem cells showed better adhesion and proliferation properties in all the three hydrogels. Thus hyaluronic acid hydrogel makes a promising material for cartilage regeneration.     

Models of lithium transport as applied to determination of diffusion characteristics of intercalation electrodes

In order to elucidate the mechanism of lithium transport in intercalation electrodes based on solid lithium-accumulating compounds and determine its parameters, the kinetic models are used which allow the combined analysis of electrode impedance spectroscopy, cyclic voltammetry, pulse chronoampero- and chronopotentiometry data to be carried out. The models describe the stages of consecutive lithium transport in the surface layer and bulk of electrode-material particles, including the accumulation of species in the bulk. The lithium transport stages that occur in the surface layer of an intercalation-material particle and in its bulk are both of the diffusion nature but substantially differ as regards their characteristic times and diffusion coefficients D. Taking account of this peculiarity and assessing adequately the geometrical configuration of intercalation system allow the diffusion parameters of lithium transport to be correctly determined.     

A molecular docking and dynamics study to screen phytochemicals that target mutant thymidine phosphorylase for colon cancer therapy

Thymidine phosphorylase (TYPH) is an enzyme involved in pyrimidine catabolism and its mutation is associated with chemoresistance of colon cancer to 5-fluorouracil (5-FU) treatment. Here we have analysed the most destabilized mutation of TYPH protein at glycosyltransferase domain where isoleucine alter to alanine at position 214(I214A) that linked to the onset of colon cancer. This study aims to conduct virtual screening of phytochemicals to find novel compounds against mutated TYPH protein. The in silico study aimed to predict the physicochemical properties of phytochemicals and their binding performance with mutated TYPH compared to 5-FU. From the screened phytochemicals, berbamine showed the best binding affinity (?7.2 kcal/mol) with mutant TYPH protein as compared to 5-FU. For further confirmations, the dynamics properties of native, mutant, and docked complex of I214A mutant with berbamine systems were studied through molecular dynamics simulations with a trajectory of 100ns. From root mean square fluctuation, radius of gyration, number of hydrogen bonds, principal component analysis, and free energy landscape, we predicted that the I214A mutant lost its compactness, however, on complex formation with berbamine it gained its compactness. MM/PBSA and molecular docking studies confirmed that berbamine could show potential inhibitory effects against the mutant model of TYPH. Our finding may open the door for its experimental validation and may take as a potential therapeutic against colon cancer treatment in near future.     

Synthesis of nano-sized crystalline oxide ion conducting fluorite-type Y2O3-doped CeO2 using perovskite-like BaCe0.9Y0.1O2.95 (BCY) and study of CO2 capture properties of BCY

Formation of nano-sized Y₂O₃-doped CeO₂ (YCO) was observed in the chemical reaction between proton conducting Y₂O₃-doped BaCeO₃ (BCY) and CO₂ in the temperature range 700-1000 °C, which is generally prepared by wet-chemical methods that include sol-gel, hydrothermal, polymerization, combustion, and precipitation reactions. BCY can capture CO₂ of 0.13 g per ceramic gram at 700 °C, which is comparable to that of the well-known Li₂ZrO₃ (0.15 g per ceramic gram at 600 °C). Powder X-ray diffraction (PXRD), energy dispersive X-ray analysis (EDX), laser particle size analysis (LPSA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and ac impedance spectroscopy were employed to characterize the reaction product obtained from reaction between BCY and CO₂ and subsequent acid washing. PXRD study reveals presence of fluorite-like CeO₂ (a=5.410 (1) Å) structure and BaCO₃ in reaction products. TEM investigation of the acid washed product showed the formation of nano-sized material with particle sizes of about 50 nm. The electrical conductivity of acid washed product (YCO) in air was found to be about an order higher than the undoped CeO₂ reported in the literature.     

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

The thermodynamic state of H₂ adsorbed on Pt in the aqueous phase was determined by kinetic analysis of H₂ reacting with D₂O to HDO, HD, and D₂, and by DFT‐based ab initio molecular dynamics simulations of H₂ adsorption on Pt(111), Pt(110), and Pt nanoparticles. Dissociative adsorption of H₂ on Pt is significantly weakened in the aqueous phase compared to adsorption at gas–solid interfaces. Water destabilizes the adsorbed H atoms, decreasing the heat of adsorption by 19–22 kJ while inducing an additional entropy loss of 50–70 J K^?1. Upon dissociative adsorption of H₂, the average distance of water from the Pt surface increases and the liquid adopts a structure that is more ordered than before close to the Pt surface, which limits the translation mobility of the adsorbed H atoms. The presence of hydrated hydronium ions next to the Pt surface further lowers the H?Pt bond strength.     

Energy landscape, antiplasticization, and polydispersity induced crossover of heterogeneity in supercooled polydisperse liquids

Polydispersity is found to have a significant effect on the potential energy landscape; the average inherent structure energy decreases with polydispersity. Increasing polydispersity at a fixed volume fraction decreases the glass transition temperature and the fragility of glass formation analogous to the antiplasticization seen in some polymeric melts. An interesting temperature dependent crossover of heterogeneity with polydispersity is observed at low temperature due to the faster buildup of dynamic heterogeneity at lower polydispersity.     

Silicate nanoparticles by bioleaching of glass and modification of the glass surface

Bioleaching is examined as a low temperature (50 °C) soft chemical approach to nanosynthesis and surface processing. We demonstrate that fungus based bioleaching of borosilicate glass enables synthesis of nearly monodispersed ultrafine (∼5 ± 0.5 nm) silicate nanoparticles. Using various techniques such as X-ray diffraction, X-ray photoelectron spectroscopy and FTIR we compare the constitution and composition of the nanoparticles with that of the parent glass, and establish the basic similarities between the two. The bioleaching process is shown to enhance the non-bridging oxygen component and correspondingly influence the Si-O-Si network. The root mean square roughness of glass surface is seen to increase from 1.27 nm for bare glass to 2.52 nm for 15 h fungal processed case, this increase being equivalent to that for glass annealed at 500 °C.     

Protein‐based bioadhesives and bioglues

Bioadhesives and glues are widely used as an adjunct to conventional methods employed in healing the post‐surgical injuries and restoration of normal tissue functions. Protein‐based bioadhesives have been used for a long time, and they are a more biocompatible alternative compared with synthetic adhesives. They offer advantages such as ease of application, reduction in surgery time, improved quality and strength of the seal, and effective sealing. Also, bioadhesives are being exploited in different fields like controlled and site‐specific drug delivery systems, and in tissue engineering and regeneration. There are various marketed protein‐based glues that are available in different forms. Thus, all in all, it is a patient compliant system, thereby increasing its recent popularity. This article provides insight into different types and sources of protein‐based bioadhesives, their history of use, mechanism of adhesion. and various products that have been approved by the regulatory authorities for clinical use. It also includes information regarding the products in clinical trials and potential applications.