A highly selective redox, chromogenic, and fluorescent chemosensor for Hg2+ in aqueous solution based on ferrocene-glycine bioconjugates

The synthesis, electrochemical, optical, and metal-cation-sensing properties of ferrocene-glycine conjugates C(30)H(38)O(8)N(8)Fe (2) and C(20)H(24)O(4)N(4)Fe (3) have been documented. Both compounds 2 and 3 behave as very selective redox (ΔE(1/2) = 217 mV for 2 and ΔE(1/2) = 160 mV for 3), chromogenic, and fluorescent chemosensors for Hg(2+) cations in an aqueous environment. The considerable changes in their absorption spectra are accompanied by the appearance of a new low-energy peak at 630 nm (2, ε = 1600 M(-1) cm(-1); 3, ε = 822 M(-1) cm(-1)). This is also accompanied by a strong color change from yellow to purple, which allows a prospective for the "naked eye" detection of Hg(2+) cations. These chemosensors present immense brightness and fluorescence enhancement (chelation-enhanced fluorescence = 91 for 2 and 42 for 3) following Hg(2+) coordination within the limit of detection for Hg(2+) at 7.5 parts per billion.     

Effect of niobium promoter on iron-based catalyst for Fischer-Tropsch reaction

Niobium-promoted Fe/CNTs catalysts were prepared using a wet impregnation method.Samples were characterized by nitrogen adsorption,H2-TPR,TPD,XRD and TEM.The Fischer-Tropsch Synthesis(FTS) was carried out in a fixed-bed microreactor at 220 ℃,1 atm and H2/CO=2 for 5 h.Addition of niobium into Fe/CNTs increased the dispersion,decreased the average size of iron oxide nanoparticles and the catalyst reducibility.Niobium-promoted Fe catalyst resulted in appreciable increase in the selectivity of C5+ hydrocarbons and suppressed methane formation.These effects were more pronounced for the 0.04%Nb/Fe/CNTs catalyst,compared to those observed from other niobium compositions.The 0.04%Nb/Fe/CNTs catalyst enhanced the C5+ hydrocarbons selectivity by a factor of 67.5% and reduced the methane selectivity by a factor of 59.2%.     

Thermoluminescence and dosimetric aspects of topaz from Yono Shigar mine in Pakistan

Topaz shows thermoluminescence (TL) on heating after exposure to ionising radiation. A study was carried out to explore the possibility to design and develop a TLD (thermoluminescence dosimeter) from locally occurring topaz. Topaz was collected from a mine in Yono Shigar valley in northern Pakistan. The samples were identified as topaz by neutron irradiation, X-ray diffraction and X-ray fluorescence. The crystals of topaz were cut into chips of dimensions compatible to the commercial TLD readers. The chips were exposed to ⁶⁰Co and/or ¹³⁷Cs gamma irradiators. The investigation features included glow curve, dose and energy responses, sensitivity, fading, reproducibility and mechanical stability. The TL glow curves revealed a stable peak at about 250 °C, whose height rose linearly with increase of irradiation dose. The TL response versus dose (calibration curve) showed the linear behaviour between 10^?2 and 10² Gy. The dose response was independent of gamma energies of ⁶⁰Co and ¹³⁷Cs. The response of topaz chips remained constant within 10% deviation from the initial value after 30 cycles of reuse. The rate of fading of topaz was very fast just after irradiation and slowed after a few days. Mechanical stability of the chips remained constant during handling in all investigation experiments. The topaz from Yono Shigar mine may be recommended as a TLD for gamma dose within 10^?2–10² Gy.     

A study of surface diffusion of ternary (Cu-Ag-Zr) adatoms clusters for applications in thin film formation

This study presents the diffusion of heterogeneous ternary (Cu-Ag-Zr) adatoms clusters on Ag(111) using molecular dynamics techniques which could be important for the surface phenomena's and helpful for the ternary cluster's growth and formation of ternary alloy-based thin films. The mechanism of nanoscale surface diffusion is investigated for 1Cu-1Ag-1Zr, 2Cu-2Ag-2Zr, 3Cu-3Ag-3Zr, and 4Cu-4Ag-4Zr clusters at temperatures 300, 500, and 700 K. The diffusion mechanism displays that the diffusion of trimer cluster exhibits hopping, sliding, and shearing at 300 K, whereas for hexamer, nonamer, and decamer, the diffusion rate is low; however, breathing, anchoring, and concentrated motion dominates. At 500 K, trimer and hexamer show the process of atomic exchange; however, the atomic exchange is not observed in the case of nonamer and decamer diffusion. The atomic exchange mechanism of Cu and Zr adatoms dominates at 700 K for all size clusters, except Ag adatoms, where Zr adatoms show a relatively more tendency. Separation and rejoining of the one and two adatoms (likely Zr adatom) are also witnessed at high temperature. The pop-up of Ag adatoms also occurs in very short intervals over the remaining adatoms of clusters. Interestingly, during trimer diffusion, the adsorption of the Zr- or Cu-adatom among the trimer cluster into the substitutional site is found. At 700 K, vacancy generation, filling of vacancies, and migration of vacancy, in the neighborhood of the adatoms cluster, also observed. Moreover, the rate of diffusion decreases with the size increase of the clusters and increases with the increase in temperature.     

Radiative properties of matter based on quantum statistical method

We present the preliminary results of our code OPAQS(opacity calculation using quantum statistical model) that is based on the self consistent Hartree-Fock-Slater model for the average atom. The code is capable of performing robust calculations of average charge state, frequency-dependent and mean opacities. The accuracy of the atomic model is verified by comparing the calculations of average charge state with various published results. The monochromatic opacities for iron computed at different sets of temperatures and densities are compared with LEDCOP. The Rosseland and Planck opacities for iron and aluminum are validated with some state-of-the-art codes. The results are in good agreement with the published data.     

Syntheses, Spectral Studies and Bioanalyses of Some Triorganotin(Ⅳ) Complexes of Cephlaxine

Five novel triorganotin(Ⅳ) complexes have been synthesized by refluxing trimethyl, triethyl, tributyl, triphenyl and tribenzyltin chloride with Cephlaxine.These compounds were characterized by spectroscopic (IR,1H, 13C, 119Sn NMR) techniques and elemental analysis.The results obtained through these techniques are in full agreement with the proposed 1:1 stoichiometry.The synthesized compounds were than tested against various microorganisms and fungi.The results of new products obtained showed that the triphenyltin(IV) complex displayed promising activity against all types of bacteria and fungi used while all other compounds showed significant antibacterial and antifungal activity.     

Simulated and experimental analysis of electrodeposited β' Brass composition with DLA morphology

Electrodeposition of two ions like Copper and Zinc in the alloy of β^' Brass is done in thin gap 2D geometry. The growth follows a Diffusion Limited Aggregation (DLA) like morphology. It is observed that the ratio of the two ions deposited remains almost constant with the distances from cathode. This ratio also depends on the composition of the cathodes. This has been shown experimentally and using a unique two-ion simulation model developed by us. The compositional analysis by EDX of the electrodeposited layers at different separations of 0.5?cm, 1.0?cm and 1.5?cm from the negative electrode shows a uniform ratio of 2.3087 for the two ions of copper and zinc. A two-ion simulation model made by us with different masses for the ions and for the same composition of cathode shows a uniform ratio of 2.3133 for the two ions systems and therefore, support the experimental observation to a high degree of accuracy. The results obtained have been explained theoretically.     

Thermodynamics of the silver-silver ion electrode and thermodynamic solubility product constants of silver halides and pseudo-halides in urea-water mixtures

The hydration kinetics of tricalcium aluminate, C₃A, with gypsum or anhydrite at 1:3 mole ratio were studied using hydration periods of 5 min up to 7 days. These studies were assessed with the aid of differential thermal analysis, thermogravimetric analysis and X-ray diffractometry as well as chemical analysis.The results revealed that hydration periods of up to 7 days of tricalcium aluminate with gypsum in paste form and in suspension, forms ettringite with unhydrated components of C₃A and gypsum. On the other hand, the only hydration product of the slurry of C₃A with anhydrite is ettringite after 7 days of hydration. The kinetics of hydration were studied by the quantitative determination of ettringite from the TG analysis. The results also illustrate that the rate of ettringite formation is slower in the presence of gypsum than in the presence of anhydrite and also that hydration of the slurry gives more ettringite than the hydration of the paste.     

Global analysis of a periodic epidemic model on cholera in presence of bacteriophage

We propose and analyze a recurrent epidemic model of cholera in the presence of bacteriophage. The model is extended by general periodic incidence functions for low‐infectious bacterium and high‐infectious bacterium, respectively. A general periodic shedding function for two infected class (phage‐positive and phage‐negative) and a generalized contact and intrinsic growth function for susceptible class are also considered. Under certain biological assumptions, we derive the basic reproduction number (R₀) in a periodic environment for the proposed model. We also observe the global stability of the disease‐free equilibrium, existence, permanence, and global stability of the positive endemic periodic solution of our proposed model. Finally, we verify our results with specific functional form. Copyright © 2016 John Wiley & Sons, Ltd.