First-principles study of the double perovskites Sr<Subscript>2</Subscript>XOsO<Subscript>6</Subscript> (X = Li,Na, Ca) for spintronics applications

We investigated double perovskite compounds of the form Sr ₂ XOsO ₆ (X = Li, Na, Ca) using the full-potential linearized augmented plane wave (FP-LAPW) method. For the exchange-correlation energy, Wu and Cohen generalized gradient approximation (WC-GGA), Perdew, Burke and Ernzerhof GGA (PBE-GGA), Engel and Vosko GGA (EV-GGA), and GGA plus Hubbard U-parameter (GGA + U) were used. The calculated structural parameters are in good agreement with the existing experimental results. Calculation of different elastic constants and elastic moduli reveals that these compounds are elastically stable and possess ductile nature. The GGA + U approach yields quite accurate results of the bandgap as compared with the simple GGA schemes. The density of states plot shows that Sr-4d, Os-5d and O-2p states predominantly contribute to the conduction and valence bands. Further, our results regarding to the magnetic properties of these compounds reveal their ferromagnetic nature. In addition, these compounds seem to possess half-metallic properties, making them useful candidates for applications in spintronics devices.     

Selective extraction and detection of noble metal based on ionic liquid immobilized silica gel surface using ICP-OES

In this study, an efficiently employed ionic liquid combined with commercially available silica gel (SG–ClPrNTf₂) was developed for selective detection of gold(III) by use of inductively coupled plasma–optical emission spectrometry (ICP-OES). The selectivity of SG–ClPrNTf₂ was evaluated towards seven metal ions, including Y(III), Mn(II), Zr(IV), Pb(II), Mg(II), Pd(II) and Au(III). Based on pH study and distribution coefficient values, the SG–ClPrNTf₂ phase was found to be the most selective towards Au(III) at pH 2 as compared to other metal ions. The adsorption isotherm of Au(III) on the SG–ClPrNTf₂ phase followed the Langmuir model with adsorption capacity of 59.48 mg g^?1, which was highly in agreement with experimental data of adsorption isotherm study. The kinetics study indicated that Au(III) adsorption kinetics data were well fit with the pseudo-second-order kinetic model on the basis of correlation coefficient fitting (0.996) and adsorption capacity agreement (62.26 mg g^?1). Furthermore, SG–ClPrNTf₂ phase was effectively performed for the determination of Au(III) in real water samples with satisfactory results.     

Influence of Y~(3+),Yb~(3+),Gd~(3+) cations on structural and electromagnetic properties of CuFe_2O_4 nanoferrites prepared via one step sol-gel method

Rare earths(REs) play a key role in distorting spinel structure by creating some defects at the lattice sites and make them suitable for magnetodielectric applications.In the present study,the nanoferrites of CuRE_(0.02)Fe_(1.98)O_4,where REs=Y~(3+),Yb~(3+),Gd~(3+),were prepared using one step sol-gel method.The prepared samples are copper ferrite(CFO),yttrium doped copper ferrite(Y-CFO),ytterbium doped copper ferrite(Yb-CFO) and gadolinium doped copper ferrite(Gd-CFO),respectively.The single-phase structure of all the REs doped nanoferrites was determined by X-ray diffraction(XRD) analysis.The porosity,agglomerations and grain size of the REs doped copper ferrite were examined using field emission scanning electron microscopy(FESEM) analysis.Fourier transform infrared spectroscopy(FTIR)elaborates the phase formation and environmental effects on the REs doped nanoparticles(NPs).The recorded room temperature M-H loops from a vibrating sample magnetometer(VSM) elucidate the magnetic properties of the REs doped spinel nanoferrites.The magnetic saturation(M_s) was calculated in the range of 23.08 to 51.78 emu/g.The calculated coercivity values(272.6 to 705.60 Oe) confirm the soft magnetic behavior of REs doped copper ferrites.Furthermore,the electromagnetic and dielectric properties were assessed using a Vector network analyzer(VNA) from 1 to 6 GHz.The permeability,permittivity,dielectric tangent loss and electric modulus of the REs doped spinel ferrites illustrate that the prepared NPs may be suitable for microwave and high frequency applications.     

Radiation induced decontamination of Cr(Ⅵ), Cu(Ⅱ) and phenol in some tannery effluents

Industrialization has led to a number of environmental problems, such as release of toxic metals and other toxic organic and inorganic compounds to the environment. Among all, the rapid expansion of leather related industries in Pakistan have resulted in considerable environmental problems and effluents from processing of both domestic and imported hides and skins have increased pollution to alarming levels. Some tannery effluents of Peshawar area investigated in the present study showed high concentrations of Cr(Ⅵ) (2.7-12.6 mg/L), Cu(Ⅱ) (2.6-11.4 mg/L) and phenol (0.1-4.2 mg/L). These contaminants are very toxic and must be removed from effluents before releasing into water bodies. A new technique of gamma irradiation has been investigated to decrease the load of COD and concentrations of Cr(Ⅵ), Cu(Ⅱ) and phenol associated with tannery effluents to the permitted values. It was observed that concentration of Cr(Ⅵ) in the effluents can be brought to the permitted level by applying radiation dose of 3 kGy. A radiation dose of 2.5 kGy was required to remove more than 95% of Cu(Ⅱ) and 100 % degradation of phenol in tannery effluents could be achieved by only one kGy of radiation dose.     

Development of high performance amine functionalized zeolitic imidazolate framework (ZIF-8)/cellulose triacetate mixed matrix membranes for CO2/CH4 separation

High cost and complex fabrication process of inorganic membranes and lower position of pristine polymeric membranes in the Robeson upper bound curve urged the researchers to develop mixed matrix membranes (MMMs). Cellulose acetate being most commercially used polymer, dominates the market of CO₂ separation mainly because of low cost and environmental friendly resource. In the present study, MMMs consists of amine functionalized zeolitic imidazolate framework (NH₂-ZIF-8) and cellulose triacetate were fabricated for the first time. NH₂-ZIF-8 was used as a filler because the pore size of ZIF-8 is between the kinetic diameter of separating gases (CO₂ and CH₄). Moreover,  NH₂ group attached on the surface of ZIF-8 has affinity with condensable gases like CO₂. Morphology, crystallinity, tensile strength and functional groups of fabricated membranes were investigated using different analytical techniques. Results revealed that the increase of feed pressure has increased CO₂ permeability and decreased permselectivity. However, improvements in gas separation performance were observed with the addition of nanofiller. Best position in Robeson's upper bound curve at 4 bar was obtained with 10 wt% loading with CO₂ permeability and CO₂/CH₄ permselectivity of 218 barrer and 13.84, respectively. The improvement in the gas separation performance with loading is attributed to the increased diffusion coefficients as well as solubility coefficients, which was increased to 33% and 3.8%, respectively.     

Κ‐CN gene polymorphism in Nili‐ravi buffalo,Achai and Sahiwal cattle of Pakistan

Kappa‐casein (κ‐CN) is the subtype of casein protein, an important constituent of bovine milk protein. The current study was undertaken to investigate the genetic polymorphism in κ‐CN gene of Nili‐ravi buffalo, Achai and Sahiwal cattle of Pakistan using polymerase chain reaction–restriction fragment length polymorphism (PCR‐RFLP) technique. The Nili‐ravi buffalo was found to be monomorphic (genotype BB only) for κ‐CN gene. Achai cattle were polymorphic for κ‐CN (having three genotypes AA, AB and BB) with a frequency of 0.70, 0.18 and 0.12, respectively, while in Sahiwal cattle, both the genotypes AA and AB were found with genotypic frequencies of 0.92 and 0.08, respectively. The presence of genotype BB in Achai cattle is surprising as it is absent in most of the cattle breeds worldwide.     

Ternary adsorbent photocatalyst hybrid (APH) nanomaterials for improved abstraction of tetracycline from water

ABSTRACT

Current health situations have instigated increased frequency of taking antibiotics for cure of infections but this amplified use is posing threats to environment. This research is focused to remove Tetracycline (TC), an antibiotic from water, using an advanced nanohybrid that compact the properties of adsorbent and photocatalyst. Compared to conventional methods for remediation of TC, large surface area (452 m²g^?1) adsorbent photocatalyst hybrid (APH) g-C₃N₄/α-MoO₃/ZIF-67 (CMZ) have found much effective as 97% degradation of TC is observed in 110 min with 0.1 g of APH. Increasing g-C₃N₄ in the hybrids has improved percent degradation of TC molecules. CMZ-3 is found as a potential candidate for water treatment.