Analysis of the reactivities of protein C-H bonds to H atom abstraction by OH radical

Ab initio and density functional theory calculations are used to monitor the process wherein a OH· radical is allowed to approach the various CH groups of a Leu dipeptide, with its CH(2)CH(CH(3))(2) side chain. After forming an encounter complex, the OH· abstracts the pertinent H atom, and the resulting HOH is then dissociated from the complex. The energy barriers for H· abstraction from the β, γ, and δ CH groups are all less than 8 kcal/mol, but a significantly higher barrier is computed for the C(α)H removal. This higher barrier is the result of the strong H-bonds formed in the encounter complex between the OH· and the NH and C═O groups of the peptide units that surround the C(α) atom. This low-energy complex represents a kinetic trap which raises the energy needed to surmount the ensuing H· transfer barrier.     

Assessment of natural uranium and 226Ra concentration in ground water around the uranium mine at Narwapahar, Jharkhand, India and its radiological significance

A brief study on dissolved radionuclides in aquatic environment, especially in ground water, constitutes the key aspect for assessment and control of natural exposure. In the present study the distribution of natural uranium and ²²⁶Ra concentration were measured in ground water samples collected within a 10 km radius around the Narwapahar uranium mine in the Singhbhum thrust belt of Jharkhand, India in 2007–2008. The natural uranium content in the ground water samples in this region was found to vary from 0.1 to 3.75 μg L^?1 with an average of 0.87 ± 0.73 μg L^?1 and ²²⁶Ra concentration was found to vary from 5.2 to 38.1 mBq L^?1 with an average of 13.73 ± 7.34 mBq L^?1. The mean annual ingestion dose due to intake of natural uranium and ²²⁶Ra through drinking water pathway to male and female adults population was estimated to be 6.55 and 4.78 μSv y^?1, respectively, which constitutes merely a small fraction of the reference dose level of 100 μSv y^?1 as recommended by WHO.     

Bianchi Types V and VI<Subscript>0</Subscript> Cosmic Strings Coupled with Maxwell Fields in Bimetric Theory

Spatially homogeneous Bianchi types V and VI₀ cosmological models are studied with source cosmic cloud strings coupled with electromagnetic field in Rosen’s (Gen. Relativ. Gravit. 4:435, 1973) bimetric theory of relativity. It is observed that Bianchi type V space time is feasible whereas Bianchi type VI₀ is not feasible. In the feasible case different equations of state for cosmic strings with Maxwell fields do not survive in this theory and the space-time turns out to be flat.     

Gold nanoparticle induced conformational changes in heme protein

Change of α-helical structure of heme protein (Hb) to a β-sheet and random coil conformation because of the interaction of glycine capped gold nanoparticles (20–60 nm) as observed from attenuation total reflectance, absorption, Fourier transform infra red, and Circular Dichroism spectroscopy has been reported in this article. Upon interaction, protein takes a cylindrical shape of length 12 μm and diameter 0.35 μm as revealed from scanning electron microscopy and transmission electron microscopy. The Selected-Area Electron beam Diffraction pattern shows change of crystalline structure in GNP to amorphous nature with the interaction of Hb.     

A facile strategy for the fabrication of uniform CdS nanowires with high yield and its controlled morphological growth with the assistance of PEG in hydrothermal route

A series of novel wurtzite cadmium sulphide (CdS) nanowires with uniform diameter were synthesized by using a rapid and simple solvothermal route. CdS nano structures with certain morphology could be selectively produced by only varying the concentration of poly ethylene glycol (PEG) as a surfactant in the reaction system with cadmium acetate, sulphur powder and ethelynediamine (EDA). We extensively studied UV-vis absorption spectra, photoluminescence spectra after confirming CdS nanowires with diameter 24-25 nm and length ranging up to several nano meters by field emission scanning electron microscopy (FE-SEM). Therefore we may definitely propose a new formation mechanism of CdS nanowires assisted by PEG with its illustrating optical properties.     

Synthesis and characterization of β-Ga2O3 nanostructures grown on GaAs substrates

β-Ga₂O₃ nanostructures including nanowires, nanoribbons and nanosheets were synthesized via thermal annealing of gold coated GaAs substrates in N₂ ambient. GaAs substrates with different dopants were taken as the starting material to study the effect of doping on the growth and photoluminescence properties of β-Ga₂O₃ nanostructures. The nanostructures were investigated by Grazing Incident X-ray Diffraction, Scanning Electron Microscopy, Transmission Electron Microscopy, Energy Dispersive X-ray Spectroscopy, room temperature photoluminescence and optical absorbance. The selected area electron diffraction and High resolution-TEM observations suggest that both nanowires and nanobelts are single crystalline. Different growth directions were observed for nanowires and nanoribbons, indicating the different growth patterns of these nanostructures. The PL spectra of β-Ga₂O₃ nanostructures exhibit a strong UV-blue emission band centered at 410 nm, 415 nm and 450 nm for differently doped GaAs substrates respectively. A weak red luminescence peak at 710 nm was also observed in all the samples. The optical absorbance spectrum showed intense absorption features in the UV spectral region. The growth and luminescence mechanism in β-Ga₂O₃ nanostructures are also discussed.     

Cellulose‐Derived Functional Polyacetal by Cationic Ring‐Opening Polymerization of Levoglucosenyl Methyl Ether

The unsaturated bicyclic acetal levoglucosenyl methyl ether was readily obtained from sustainable feedstock (cellulose) and polymerized by cationic ring‐opening polymerization to produce a semicrystalline thermoplastic unsaturated polyacetal with relatively high apparent molar mass (up to ca. 36 kg mol^?1) and decent dispersity (ca. 1.4). The double bonds along the chain can undergo hydrogenation and thiol–ene reactions as well as crosslinking, thus making this polyacetal potentially interesting as a reactive functional material.     

Effects of partial slip on axisymmetric flow of an electrically conducting viscoelastic fluid past a stretching sheet

The entrained flow of an electrically conducting non-Newtonian, viscoelastic second grade fluid due to an axisymmetric stretching surface with partial slip is considered. The partial slip is controlled by a dimensionless slip factor, which varies between zero (total adhesion) and infinity (full slip). Suitable similarity transformations are used to reduce the resulting highly nonlinear partial differential equation into an ordinary differential equation. The issue of paucity of boundary conditions is addressed, and an effective numerical scheme has been adopted to solve the obtained differential equation even without augmenting the boundary conditions. The important findings in this communication are the combined effects of the partial slip, magnetic interaction parameter and the second grade fluid parameter on the velocity and skin friction coefficient. It is observed that in presence of slip, the velocity decreases with an increase in the magnetic parameter. That is, the Lorentz force which opposes the flow leads to enhanced deceleration of the flow. Moreover, it is interesting to find that as slip increases in magnitude, permitting more fluid to slip past the sheet, the skin friction coefficient decreases in magnitude and approaches zero for higher values of the slip parameter, i.e., the fluid behaves as though it were inviscid.     

A metal-organic framework with highly polar pore surfaces: selective CO2 adsorption and guest-dependent on/off emission properties

A 3D porous Zn(II) metal-organic framework {[Zn(2)(H(2)dht)(dht)(0.5)(azpy)(0.5)(H(2)O)]·4H(2)O} (1; H(2)dht=dihydroxyterphthalate, azpy=4,4'-azobipyridine) has been synthesised by employing 2,5-dihydroxyterephthalic acid (H(4)dht), a multidentate ligand and 4,4'-azobipyridine by solvent-diffusion techniques at room temperature. The as-synthesised framework furnishes two different types of channels: one calyx-shaped along the [001] direction and another rectangle-shaped along the [101] direction occupied by guest water molecules. The dehydrated framework, {[Zn(2)(H(2)dht)(dht)(0.5)(azpy)(0.5)]} (1') provides 52.7% void volume to the total unit-cell volume. The pore surfaces of 1' are decorated with unsaturated Zn(II) sites and pendant hydroxyl groups of H(2)dht linker, thereby resulting in a highly polar pore surface. The dehydrated framework 1' shows highly selective adsorption of CO(2) over other gases, such as N(2), H(2), O(2) and Ar, at 195 K. Photoluminescence studies revealed that compound 1 exhibits green emission (λ(max)≈530 nm) on the basis of the excited-state intramolecular proton-transfer (ESIPT) process of the H(2)dht linker; no emission was observed in dehydrated solid 1'. Such guest-induced on/off emission has been correlated to the structural transformation and concomitant breaking and reforming of the OH···OCO hydrogen-bonding interaction in the H(2)dht linker in 1'/1.     

A note on a class of singular integro-differential equations

A simplified analysis is employed to handle a class of singular integro-differential equations for their solutions