Determination of ultra trace arsenic species in water samples by hydride generation atomic absorption spectrometry after cloud point extraction

Cloud point extraction (CPE) methodology has successfully been employed for the preconcentration of ultra-trace arsenic species in aqueous samples prior to hydride generation atomic absorption spectrometry (HGAAS). As(III) has formed an ion-pairing complex with Pyronine B in presence of sodium dodecyl sulfate (SDS) at pH 10.0 and extracted into the non-ionic surfactant, polyethylene glycol tert-octylphenyl ether (Triton X-114). After phase separation, the surfactant-rich phase was diluted with 2 mL of 1 M HCl and 0.5 mL of 3.0% (w/v) Antifoam A. Under the optimized conditions, a preconcentration factor of 60 and a detection limit of 0.008 μg L⁻¹ with a correlation coefficient of 0.9918 was obtained with a calibration curve in the range of 0.03–4.00 μg L⁻¹. The proposed preconcentration procedure was successfully applied to the determination of As(III) ions in certified standard water samples (TMDA-53.3 and NIST 1643e, a low level fortified standard for trace elements) and some real samples including natural drinking water and tap water samples.     

Ultrasensitive measurements of microbial rhodopsin photocycles using photochromic FRET

Microbial rhodopsins are an important class of light-activated transmembrane proteins whose function is typically studied on bulk samples. Herein, we apply photochromic fluorescence resonance energy transfer to investigate the dynamics of these proteins with sensitivity approaching the single-molecule limit. The brightness of a covalently linked organic fluorophore is modulated by changes in the absorption spectrum of the endogenous retinal chromophore that occur as the molecule undergoes a light-activated photocycle. We studied the photocycles of blue-absorbing proteorhodopsin and sensory rhodopsin II (SRII). Clusters of 2-3 molecules of SRII clearly showed a light-induced photocycle. Single molecules of SRII showed a photocycle upon signal averaging over several illumination cycles.     

Synthesis,spectroscopic, thermal,crystal structure properties,and characterization of new Hofmann-Td-type complexes with 3-aminopyridine

In this study, synthesis of two new tetracyanocadmate(II) and tetracyanozincate(II) complexes based on 3-aminopyridine (3AP) and investigation of their structural properties were reported. These complexes were characterized by using vibration spectroscopy, elemental, thermal analysis and single crystal X-ray diffraction (SC-XRD) techniques. Investigation of the elemental, spectral and single crystal data of these complexes showed that the formulas [Cd(3AP)₂Zn(μ₄-CN)₄]_n (1) and [Cd(3AP)₂Cd(μ₄-CN)₄]_n (2) fully explained their crystal structure. General information about the structural and chemical properties of these complexes obtained in single crystal form was obtained by observing the changes in the characteristic peaks of the 3AP with the [Zn(μ₄-CN)₄]^2- and [Cd(μ₄-CN)₄]^2- structures that make up these complexes. The behaviors of these complexes against changes in temperature were obtained by examining the temperature-dependent changes of their mass. The asymmetric unit of the heterometallic complexes 1 and 2 consist of half Cd(II) ion, half M ion [M = Zn1 in 1 and Cd2 in 2], two cyanide ligands and one 3AP.     

Synthesis,spectroscopic, thermal,crystal structure properties and characterization of new Hofmann-type-like clathrates with 4-aminopyridine and water

In this study, synthesis of two new heteronuclear tetracyanonickelate(II) clathrates based on 4-aminopyridine (4AP) and guest water (H₂O) molecule and investigation of their structural properties were reported. These clathrates were characterized by using vibration spectroscopy, elemental, thermal analysis and single crystal X-ray diffraction (SC-XRD) techniques. Examining the elemental and spectral data of these clathrates, it was observed that the formulas [Zn(II)(4AP)₂Ni(µ-CN)₂(CN)₂]·6H₂O and [Cu(II)(4AP)₄Ni(µ-CN)₂(CN)₂]·H₂O were defined their structures. General information about the structural properties of these clathrates in single crystal form has been obtained by considering the changes in the characteristic peaks of the cyanide group and the 4AP that formed them. The thermal behaviors of these clathrates were obtained by examining the temperature-dependent changes of their masses. The magnetic susceptibilities of these clathrates in single crystal form were measured with a Gouy balance. According to the data obtained using SC-XRD technique, the heterometallic [Zn(II)(4AP)₂Ni(µ-CN)₂(CN)₂]·6H₂O compound has Cmcm and the heterometallic [Cu(II)(4AP)₄Ni(µ-CN)₂(CN)₂]·H₂O compound has crystal structures in the C2 / c space group.     

Weighted-Residual Methods for the Solution of Two-Particle Lippmann–Schwinger Equation Without Partial-Wave Decomposition

Recently there has been a growing interest in computational methods for quantum scattering equations that avoid the traditional decomposition of wave functions and scattering amplitudes into partial waves. The aim of the present work is to show that the weighted-residual approach in combination with local basis functions give rise to convenient computational schemes for the solution of the multi-variable integral equations without the partial wave expansion. The weighted-residual approach provides a unifying framework for various variational and degenerate-kernel methods for integral equations of scattering theory. Using a direct-product basis of localized quadratic interpolation polynomials, Galerkin, collocation and Schwinger variational realizations of the weighted-residual approach have been implemented for a model potential. It is demonstrated that, for a given expansion basis, Schwinger variational method exhibits better convergence with basis size than Galerkin and collocation methods. A novel hybrid-collocation method is implemented with promising results as well.     

The molecular structures, vibrational spectroscopies (FT-IR and Raman) and quantum chemical calculations of n-alkyltrimethylammonium bromides

The FT-IR and micro-Raman spectra of three n-alkyltrimethylammonium bromides (dodecyltrimethylammonium bromide (DTAB), tetradecyltrimethylammonium bromide (TTAB) and hexadecyl(cetyl)trimethylammonium bromide (CTAB)) in powder form were recorded in the regions 4000–550 cm^?1 and 3200–300 cm^?1, respectively. The optimized geometries and vibrational frequencies of DTAB, TTAB and CTAB have been carried out with ab initio Hartree-Fock (HF) and density functional theory method B3LYP calculations with the 6–31 G (d, p) basis set in the ground state. The comparison of the observed fundamental vibrational frequencies and calculated results for the fundamental vibrational frequencies of DTAB, TTAB and CTAB indicate that the scaled B3LYP method is superior compared to the scaled HF method.     

On Gauss-Weierstrass semigroups and inversion of potentials associated with the Bessel differential operator

In this paper, we define the generalized Gauss Weierstrass semigroups with Weierstrass kernel, and give some of their properties. Using them, we study the inversion formulas for the generalized Riesz and Bessel potentials, generated by the generalized shift operators and associated with the Laplace Bessel differential operator.     

On weighted Iyengar type inequalities on time scales

In this study, we establish some new weighted Iyengar type integral inequalities using Steffensen’s inequality on time scales.     

Surface and thermodynamic characterization of conducting polymers by inverse gas chromatography. I. Polyaniline

The surface thermodynamic characteristics of both doped polyaniline (PANI-HEBSA) and the non-conducting form (PANI-EB) were investigated using inverse gas chromatography. Fourteen solutes were injected into two separate chromatographic columns containing PANI-EB and PANI-HEBSA. All solutes interacted strongly with the conducting form PANI-HEBSA; in particular, undecane and dodecane showed stronger interaction due to the increase of the dispersive forces. Methanol and ethanol showed stronger H-bonding with the conducting form than propanol and butanol. A curvature was observed for acetates and alcohols with a maximum of around 145 degrees C as an indication of a phase change from a semicrystalline to amorphous phase. DeltaH(l)s value increased considerably (-3.35 to -46.44 kJ/mol) while the deltaH(l)s for the undoped PANI (PANI-EB) averaged about -0.03 kJ/mol. PANI-EB-alkane interaction parameters were measured and ranged from +0.40 to +1.50 (endothermic). However, PANI-HEBSA showed an exothermic behavior due to the polar surface (-1.50 to +1.2). Interaction parameters decreased as the temperature increased and are characteristic of the strong interaction. The dispersive surface energy of the non conducting PANI-EB ranged from 29.13 mJ/m2 at 140 degrees C to 94.05 mJ/m2 at 170 degrees C, while the surface energy of the conducting PANI-HEBSA showed higher values (150.24 mJ/m2 at 80 degrees C to 74.27 mJ/m2 at 130 degrees C). Gamma(s)d values for PANI-EB were found to be higher than expected. The trend of the gamma(s)d change direction is also surprising and unexpected due to the thermal activation of the surface of the polymer and perhaps created some nano-pores resulting in an increase in surface energy of the non-conducting form.