3D-QSPR method of computational technique applied on red reactive dyes by using CoMFA strategy

Cellulose fiber is a tremendous natural resource that has broad application in various productions including the textile industry. The dyes, which are commonly used for cellulose printing, are "reactive dyes" because of their high wet fastness and brilliant colors. The interaction of various dyes with the cellulose fiber depends upon the physiochemical properties that are governed by specific features of the dye molecule. The binding pattern of the reactive dye with cellulose fiber is called the ligand-receptor concept. In the current study, the three dimensional quantitative structure property relationship (3D-QSPR) technique was applied to understand the red reactive dyes interactions with the cellulose by the Comparative Molecular Field Analysis (CoMFA) method. This method was successfully utilized to predict a reliable model. The predicted model gives satisfactory statistical results and in the light of these, it was further analyzed. Additionally, the graphical outcomes (contour maps) help us to understand the modification pattern and to correlate the structural changes with respect to the absorptivity. Furthermore, the final selected model has potential to assist in understanding the characteristics of the external test set. The study could be helpful to design new reactive dyes with better affinity and selectivity for the cellulose fiber.     

Effect of dispersion conditions on the mechanical properties of multi-walled carbon nanotubes based epoxy resin composites

A suitable dispersion technique and quantitative evaluation of degree of dispersion of carbon nanotubes (CNT) in any solvent and matrix system has been one of the key issues for achieving enhanced performance of CNT reinforced composites. We report the use of UV–vis spectroscopy as a useful technique to ascertain the degree of dispersion of multiwalled carbon nanotubes (MWCNT) in the epoxy resin. The study has enabled to maximize dispersion of MWCNT in the epoxy resin using two different routes. As a result the composite samples prepared with only 0.3 wt.% amine functionalized MWCNT showed flexural strength of 140 MPa over the neat resin value of 55 MPa, an improvement of ~155% which is maximum reported so far for CNT-epoxy isotropic composites.     

A novel fluorescent aptasensor based on single-walled carbon nanohorns

Single-walled carbon nanohorns have been used to construct an aptasensor for the first time. This novel aptasensor was successfully used for the detection of thrombin with high sensitivity and excellent selectivity. This thrombin aptasensor has a detection limit of as low as 100 pM.     

Fluid properties of an unsteady MHD free stream flow over a stretching sheet in presence of radiation

Variable fluid properties with thermal radiation in an unsteady magnetohydrodynamics free stream incompressible flow over a stretching sheet has been considered. The thermal diffusivity and viscosity of the fluid varies linearly with temperature. The governing partial differential equations are moulded to ordinary differential equations using time-dependent similarity variables and the stream function. RKF technique with shooting method has been implement to find the solution numerically. In the current analysis the impact of unsteadiness, magnetic field, radiative parameter, variable fluid viscosity and thermal diffusivity parameter on heat and flow behavior with the free stream parameter have been studied. Transition point observed in the velocity profiles with an change in unsteadiness parameter and the effect of magnetic field is reduced in the presence of free stram velocity. The velocity and the temperature gradient are computed on the surface and their outcomes with different parameters have been analyzed in the results shown graphically and in tabular form.     

Synthesis and Characterization of Thermally Stable and Biologically Active Metal-Based Schiff Base Polymer

Schiff base was prepared via condensation of ethanedihydrazide with 2-hydroxy benzaldehyde and further this monomeric Schiff base polymerize with formaldehyde and barbituric acid and form polymeric Schiff base (PLSB) ligand. The ligand and its polymer metal complexes were characterized by using elemental analysis, IR, UV–VIS, ¹HNMR, magnetic susceptibility and thermogravimetric studies. On basis of elemental analysis and spectral studies, six coordinated geometry was assigned for Mn(II), Co(II) and Ni(II) complexes and four coordinated for Cu(II) and Zn(II) complexes. PLSB act as a tetradentate and coordinate through the azomethine nitrogen and phenolic oxygen. The thermal behavior of these polymer metal complexes showed that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The (PLSB) ligands and its polymer metal complexes were screened against bacterial species Escherichia coli, Staphylococcus aureus, Bacillus subtilis and fungal species Aspergillus flavus, Candida albicans, A. niger. The activity data show that the metal complexes were more potent than the parent Schiff bases.     

Phenolic resin-based composite sheets filled with mixtures of reduced graphene oxide, γ-Fe2O3 and carbon fibers for excellent electromagnetic interference shielding in the X-band

Composite sheets consisting of phenolic resin filled with a mixture of reduced graphene oxide (RGO), γ-Fe₂O₃ and carbon fibers have been produced by compression molding. Its electrical conductivity lies in the range 0.48–171.21 S/cm. Transmission and scanning electron microscopy observations confirm the presence of nano particles of γ-Fe₂O₃ (～9.8 nm) and carbon fiber (～1 mm) which gives flexural strength to composite sheets. Thermogravimetric analysis show that the thermal stability of the sheets depend upon the amount of RGO and phenol resin in the composite. Complex parameters, i.e., permittivity (ε* = ε′ ? iε″) and permeability (μ* = μ′ ? iμ″) of RGO/γ-Fe₂O₃/carbon fiber have been calculated from experimental scattering parameters (S₁₁ and S₂₁) using theoretical calculations given in Nicholson?Ross and Weir algorithms. The microwave absorption properties of the sheets have been studied in the 8.2–12.4 GHz (X-Band) frequency range. The maximum shielding effectiveness observed is 45.26 dB, which strongly depends on dielectric loss and volume fraction of γ-Fe₂O₃ in RGO matrix.     

Recovery of pure ZnO nanoparticles from spent Zn-MnO₂ alkaline batteries

The recovery of pure ZnO (zinc oxide) nanoparticles from spent Zn-Mn dry alkaline batteries is reported. Spent batteries were dismantled to separate the contained valuable metals of the cell electrodes in the form of black powder. Treatment of this black powder with 5 mol L(-1) HCl produced leach liquor, primarily containing 2.90 g L(-1) Zn and 2.02 g L(-1) Mn. Selective and quantitative liquid-liquid extraction of Zn(II) was then carried out in three counter current steps by using Cyanex 923 (0.10 mol L(-1) in n-hexane). Zn(II) distributed in the organic phase as complex ZnCl(2)·2R (R = Cyanex 923 molecule). The metal loaded organic phase was subjected to combust at 600 °C to yield pure ZnO nanoparticles (40-50 nm). Important characteristics of the synthesized nanoparticles were investigated by field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction spectroscopy (XRD), and atomic force microscopy (AFM).     

The Inhibitory Response to PI3K/AKT Pathway Inhibitors MK-2206 and Buparlisib Is Related to Genetic Differences in Pancreatic Ductal Adenocarcinoma Cell Lines

The aberrant activation of the phosphoinositide 3-kinase (PI3K)/ protein kinase B (AKT) pathway is common in pancreatic ductal adenocarcinomas (PDAC). The application of inhibitors against PI3K and AKT has been considered as a therapeutic option. We investigated PDAC cell lines exposed to increasing concentrations of MK-2206 (an AKT1/2/3 inhibitor) and Buparlisib (a pan-PI3K inhibitor). Cell proliferation, metabolic activity, biomass, and apoptosis/necrosis were evaluated. Further, whole-exome sequencing (WES) and RNA sequencing (RNA-seq) were performed to analyze the recurrent aberrations and expression profiles of the inhibitor target genes and the genes frequently mutated in PDAC (Kirsten rat sarcoma virus (KRAS), Tumor protein p53 (TP53)). MK-2206 and Buparlisib demonstrated pronounced cytotoxic effects and limited cell-line-specific effects in cell death induction. WES revealed two sequence variants within the direct target genes (PIK3CA c.1143C > G in Colo357 and PIK3CD c.2480C > G in Capan-1), but a direct link to the Buparlisib response was not observed. RNA-seq demonstrated that the expression level of the inhibitor target genes did not affect the efficacy of the corresponding inhibitors. Moreover, increased resistance to MK-2206 was observed in the analyzed cell lines carrying a KRAS variant. Further, increased resistance to both inhibitors was observed in SU.86.86 carrying two TP53 missense variants. Additionally, the presence of the PIK3CA c.1143C > G in KRAS-variant-carrying cell lines was observed to correlate with increased sensitivity to Buparlisib. In conclusion, the present study reveals the distinct antitumor effects of PI3K/AKT pathway inhibitors against PDAC cell lines. Aberrations in specific target genes, as well as KRAS and TP53, individually or together, affect the efficacy of the two PI3K/AKT pathway inhibitors.     

Parametric Investigation and Design of Junctionless Nanowire Tunnel Field Effect Transistor

Silicon - An integrated design based on Gate-All-Around (GAA) silicon Junctionless (JL) vertical profile Nanowire (NW) structure has been proposed for JL-NW-Tunnel-Field Effect Transistor...     

In1 − xGaxAs Double Metal Gate-Stacking Cylindrical Nanowire MOSFET for Highly Sensitive Photo Detector

Silicon - This paper proposed a highly sensitive Double Metal Gate-stacking Cylindrical Nanowire-MOSFET (DMG CL-NWMOSFET) photosensor by using In1 − xGaxAs. For the best control...