Effective biosorption of U(VI) from aqueous solution using calcium alginate hydrogel beads grafted with amino-carbamate moieties

Journal of Radioanalytical and Nuclear Chemistry - The kinetics of Co ions sorption on CoTreat® was investigated in the 5–40 mg/L concentration range at a bulk temperature of...     

Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP

The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat the oscillating thermal stress conditions during the infection, protein quality checks and protein homeostasis in the extra-cytoplasmic compartments, thereby establishing it as a potential target for drug development against malaria. Previous studies have shown that diisopropyl fluorophosphate (DFP) and the peptide SPMFKGV inhibit E. coli DegP protease activity. To identify novel potential inhibitors specific to PfDegP allosteric and the catalytic binding sites, we performed a high throughput in silico screening using Malaria Box, Pathogen Box, Maybridge library, ChEMBL library and the library of FDA approved compounds. The screening helped identify five best binders that showed high affinity to PfDegP allosteric (T0873, T2823, T2801, {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, CD00811) and the catalytic binding site (T0078L, T1524, T2328, BTB11534 and 552691). Further, molecular dynamics simulation analysis revealed {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, BTB11534 as the best hits forming a stable complex. WaterMap and electrostatic complementarity were used to evaluate the novel bio-isosteric chemotypes of {"type":"entrez-protein","attrs":{"text":"RJC02337","term_id":"1480409465","term_text":"RJC02337"}}RJC02337, that led to the identification of 231 chemotypes that exhibited better binding affinity. Further analysis of the top 5 chemotypes, based on better binding affinity, revealed that the addition of electron donors like nitrogen and sulphur to the side chains of butanoate group are more favoured than the backbone of butanoate group. In a nutshell, the present study helps identify novel, potent and Plasmodium specific inhibitors, using high throughput in silico screening and bio-isosteric replacement, which may be experimentally validated.     

Influence of microwave irradiation on thermal properties of PVA and PVA/graphene nanocomposites

Journal of Thermal Analysis and Calorimetry - This article discusses the effect of microwave irradiation on the thermal properties of poly(vinyl alcohol)/graphene nanocomposites, prepared using a...     

MHD Three-Dimensional Flow of Viscoelastic Fluid with Convective Surface Boundary Condition

This article reports the magnetohydrodynamic (MHD) three-dimensional flow of viscoelastic fluid over a stretching surface with heat transfer. Mathematical analysis is formulated using convective boundary conditions. Computations of dimensionless velocity and temperature fields are presented. The tabulated values show excellent agreement between present and previous limiting analysis. Graphical results show the impact of embedded parameters entering into the problem.     

Melting heat transfer in the stagnation‐point flow of an upper‐convected Maxwell (UCM) fluid past a stretching sheet

The steady laminar boundary layer flow and heat transfer past a stretching sheet arre considered. Upper‐convected Maxwell (UCM) fluid is treated as a rheological model. The resulting nonlinear differential system is solved by homotopy analysis method (HAM). The influence of melting parameter (M), Prandtl number (Pr), Deborah number (β) and stretching ratio (A = a/c) on the velocity and temperature profiles is thoroughly examined. It is noticed that fields are effected appreciably with the variation of parameters. Furthermore, it is seen that the local Nusselt number is a decreasing function of melting parameter. Copyright © 2011 John Wiley & Sons, Ltd.     

Mixed convection unsteady stagnation point flow over a stretching sheet with heat transfer in the presence of variable free stream

An analysis is performed for the unsteady mixed convection flow of an incompressible viscous fluid about a stagnation point on a stretching sheet in the presence of a variable free stream. The equations of motion and energy are transformed into the ordinary differential equations by using similarity transformations. Homotopy analysis method is used for the solution of the governing problem. The results have been discussed by plots. The present values of the function are shown very close to the previous limiting solutions. Copyright © 2011 John Wiley & Sons, Ltd.     

MHD three-dimensional flow of viscoelastic fluid over an exponentially stretching surface with variable thermal conductivity

This study models the magnetohydrodynamic (MHD) three-dimensional boundary layer flow of viscoelastic fluid. The flow is due to the exponentially stretching surface. The heat transfer analysis is performed through prescribed surface temperature (PST) and prescribed surface heat flux (PHF). The thermal conductivity is taken temperature dependent. Series solutions of velocities and temperatures are constructed. Graphical results for PST and PHF cases are plotted and analyzed. Numerical values of skin-friction coefficients and Nusselt numbers are presented and discussed.     

Liquid crystals for holographic optical data storage

A tutorial review is presented to inform and inspire the reader to develop and integrate strong scientific links between liquid crystals and holographic data storage, from a materials scientist's viewpoint. The principle of holographic data storage as a means of providing a solution to the information storage demands of the 21st century is detailed. Holography is a small subset of the much larger field of optical data storage and similarly, the diversity of materials used for optical data storage is enormous. The theory of polarisation holography which produces holograms of constant intensity, is discussed. Polymeric liquid crystals play an important role in the development of materials for holographic storage and photoresponsive materials based on azobenzene are targeted for discussion due to their ease of photo-reversion between trans- and cis-states. Although the final polymer may not be liquid crystalline, irradiation can induce ordered domains. The mesogens act in a co-operative manner, enhancing refractive indices and birefringences. Surface relief gratings are discussed as a consequence of holographic storage. Cholesteric polymers comprising azobenzene are briefly highlighted. Irradiation causing cis-trans-isomerisation can be used to control helix pitch. A brief mention of liquid crystals is also made since these materials may be of future interest since they are optically transparent and amenable to photo-induced anisotropy.     

Estimation of background radiation levels and associated health risks in mineral rich district Chiniot,Pakistan

The mineral extraction activities may disturb the natural radioactivity, therefore current study aims to generate baseline data of natural radionuclides and anthropogenic ¹³⁷Cs before the start of industrial activities. Gamma spectrometry and gross alpha and beta counting systems were used for activity measurement in environmental samples. In soil, the mean activity of ²³²Th, ²²⁶Ra, ⁴⁰K and ¹³⁷Cs were determined as 79 (66–117), 47 (34–80), 823 (602–1159) and 1.3 (1.1–4.5) Bq kg^?1, respectively. The average annual effective dose rate (128.7 µSv h^?1) in the study area was twice higher than world’s average value. Indoor hazard index was greater than unity at two places; therefore, proper ventilation is proposed during construction.