Synthesis of (2-hydroxo-5-chlorophenylaminoisonitrosoacetyl)phenyl ligands and their complexes: Spectral,thermal and solvent-extraction studies

Four different types of new ligands Ar[COC(NOH)R] _n (Ar=biphenyl, n = 1 H₂L¹; Ar=biphenyl, n = 2 H₄L²; Ar=diphenylmethane, n = 1 H₂L³; Ar=diphenylmethane, n = 2 H₄L⁴; R=2-amino-4-chlorophenol in all ligands) have been obtained from 1 equivalent of chloroketooximes Ar[COC(NOH)Cl] _n (HL¹-H₂L⁴) and 1 equivalent of 2-amino-4-chlorophenol (for H₂L¹ and H₂L³) or 2 equivalent of 2-amino-4-chlorophenol (for H₄L² and H₄L⁴). (Mononuclear or binuclear cobalt(II), nickel(II), copper(II) and zinc(II) complexes were synthesized with these ligands.) These compounds have been characterized by elemental analyses, AAS, infra-red spectra and magnetic susceptibility measurements. The ligands have been further characterized by ¹H NMR. The results suggest that the dinuclear complexes of H₂L¹ and H₂L³ have a metal:ligand ratio of 1:2; the mononuclear complexes of H₄L² and H₄L⁴ have a metal:ligand ratio of 1:1 and dinuclear complexes H₄L² and H₄L⁴ have a metal:ligand ratio of 2:1. The binding properties of the ligands towards selected transition metal ions (Mn^II, Co^II, Ni^II, Cu^II, Zn^II, Pb^II, Cd^II, Hg^II) have been established by extraction experiments. The ligands show strong binding ability towards mercury(II) ion. In addition, the thermal decomposition of some complexes is studied in nitrogen atmosphere.     

Flow injection determination of catechol based on polypyrrole–carbon nanotube–tyrosinase biocomposite detector

A flow injection catechol biosensor based on tyrosinase entrapped in carbon nanotube modified polypyrrole biocomposite film on a glassy carbon surface has been developed. Amperometric response was measured as a function of concentration of catechol, at a fixed bias voltage of −50 mV at a flow rate of 1 mL/min. The proposed biosensor exhibited impressive analytical performance such as a linear range between 3 and 50 μM, a short response time (10 s), a detection limit of 0.671 μM and an excellent operational (with a relative standard deviation of 0.54%) and long-term stability (85% remained after 10th week). A comparison of the analytical parameters of the developed biosensor with polypyrrole/tyrosinase film electrode was performed in the study. CNT was shown to enhance the electron transfer between the electrode and enzyme and capable to carry higher bioactivity owing to its intensified surface area.     

Synthesis of new phosphorus ylides: Spectroscopic and X‐ray structural studies

Stable phosphoranes, Ar₃P = CHCOR (R = C₆H₅, C₆H₄NO₂, C₆H₄OCH₃, CH₃, OCH₂C₆H₅; Ar = p‐tolyl or phenyl), have been C‐acylated by acetic anhydride to obtain new types of phosphorus ylides. Synthesis and characterization of six phosphorus ylides of the type Ar₃PC(COCH₃)(COR) are reported. The reaction of {(p‐tolyl)₃PCHCOC₆H₅} ( I ), {(p‐ tolyl)₃PCHCOC₆H₄NO₂} ( II ), {Ph₃PCHCOC₆H₄NO₂} ( III ), {Ph₃PCHCOC₆H₄OCH₃} ( IV ), {(p‐tolyl)₃PCHCOCH₃} ( V ), and {Ph₃PCHCOOCH₂C₆H₅} ( VI ) with acetic anhydride in dry chloroform as solvent gives (p‐tolyl)₃PC(COMe)(COC₆H₅), α‐acetyl‐α‐benzoylmethy‐lenetriphenylphosphorane ( 1 ), {(p‐tolyl)₃PC(COMe) (COC₆H₄NO₂)} ( 2 ), {Ph₃PC(COMe)(COC₆H₄NO₂)} ( 3 ), {Ph₃PC(COMe)(COC₆H₄OCH₃)} ( 4 ), {(p‐tolyl)₃ PC(COCH₃)₂} ( 5 ), and {Ph₃PC(COMe)(COOCH₂ C₆H₅)} ( 6 ). Single crystal X‐ray analyses for ylides 2 , 5 , and 6 reveal the monoclinic ( 2, 5 ) and triclinic ( 6 ) crystal systems. Characterization of the obtained compounds was also performed by elemental analysis, IR, ¹H, ³¹P, and ¹³C NMR. The geometries of these compounds have been investigated using density functional theory (DFT). In addition, electronic parameters of these compounds such as HOMO and LUMO energy, Mulliken partial charge, and dipole moment were obtained. In this paper, the reactivity of these ylides is discussed in regard to the aforementioned data. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:475–485, 2010; View this article online at wileyonlinelibrary.com . DOI 10.1002/hc.20633     

Calculation of the Debye–Waller factor of crystals using the n-dimensional Debye function involving binomial coefficients and incomplete gamma functions

The objective of this work was to obtain a simpler and more accurate analytical expression to determine the Debye–Waller factor of crystals using an n-dimensional Debye approximation involving binomial coefficients and incomplete gamma functions. The results obtained were compared with the corresponding experimental and theoretical results and, the calculated values were shown to be in excellent agreement with those obtained in the experimental and other previous studies.     

The statistical mechanics of spin-1 Ising model with AFM/AFM interactions on a bilayer Bethe lattice

The spin-1 Ising model is studied for the case of antiferromagnetic (AFM)/AFM interactions on the bilayer Bethe lattice by using the pairwise approach for several values of the coordination numbers q=3, 4 and 6 when the layers are linked with the external magnetic fields. The ground state (GS) phase diagrams, thermal variations of the order-parameters and the response functions are studied in detail to obtain the phase diagrams of the model. It was found that the system gives only one Néel temperature, T_N, for q=3. Two T_N's and first-order phase transition temperature, T_t, thus tricritical point, are found and the existence of two T_N's leads to the reentrant behavior when q=4 and 6 for some given system parameters.     

An integrated approach for scheduling health care activities in a hospital

To effectively utilise hospital beds, operating rooms (OR) and other treatment spaces, it is necessary to precisely plan patient admissions and treatments in advance. As patient treatment and recovery times are unequal and uncertain, this is not easy. In response, a sophisticated flexible job-shop scheduling (FJSS) model is introduced, whereby patients, beds, hospital wards and health care activities are respectively treated as jobs, single machines, parallel machines and operations. Our approach is novel because an entire hospital is describable and schedulable in one integrated approach. The scheduling model can be used to recompute timings after deviations, delays, postponements and cancellations. It also includes advanced conditions such as activity and machine setup times, transfer times between activities, blocking limitations and no wait conditions, timing and occupancy restrictions, buffering for robustness, fixed activities and sequences, release times and strict deadlines. To solve the FJSS problem, constructive algorithms and hybrid meta-heuristics have been developed. Our numerical testing shows that the proposed solution techniques are capable of solving problems of real world size. This outcome further highlights the value of the scheduling model and its potential for integration into actual hospital information systems.     

On the fundamental equations of piezoelasticity of quasicrystal media

The three-dimensional fundamental equations of elasticity of quasicrystals with extension to quasi-static electric effect are expresses in both differential and variational invariant forms for a regular region of quasicrystal material. The principle of conservation of energy is stated for the regular region and the constitutive relations are obtained for the piezoelasticity of material. A theorem is proved for the uniqueness in solutions of the fundamental equations by means of the energy argument. The sufficient boundary and initial conditions are enumerated for the uniqueness. Hamilton’s principle is stated for the regular region and a three-field variational principle is obtained under some constraint conditions. The constraint conditions, which are generally undesirable in computation, are removed by applying an involutory transformation. Then, a unified variational principle is obtained for the regular region, with one or more fixed internal surface of discontinuity. The variational principle operating on all the field variables generates all the fundamental equations of piezoelasticity of quasicrystals under the symmetry conditions of the phonon stress tensor and the initial conditions. The resulting equations, which are expressible in any system of coordinates and may be used through simultaneous approximation upon all the field variables in a direct method of solutions, pave the way to the study of important dislocation, fracture and interface problems of both elasticity and piezoelasticity of quasicrystal materials.     

Thermal entanglement in two-qutrit spin-1 anisotropic Heisenberg model with inhomogeneous magnetic field

The thermal entanglement of a two-qutrit spin-1 anisotropic Heisenberg XXZ chain in an inhomogeneous magnetic field is studied in detail. The effects of the external magnetic field (B), a parameter b which controls the inhomogeneity of B, and the bilinear interaction parameters J_{x=Jy≠Jz on the thermal variation of the negativity are studied in detail. It is found that negativity N decreases when the values of magnetic field, inhomogeneity b and temperature are increasing. In addition, N remains at higher temperatures for higher values of Jz and lower values of B and b.}     

TiO2 embedded hydrothermally synthesized carbon composite as interlayer for lithium-sulfur batteries

Journal of Solid State Electrochemistry - Lithium-sulfur battery chemistry is one of the best alternatives to meet the demand of future electric vehicles providing high theoretical capacity and...     

Development An Amperometric Microbial-enzyme Hybrid Cholesterol Biosensor Based On Ionic Liquid MWCNT Carbon Paste Electrode

In this study we report the development of an amperometric cholesterol biosensor based on cholesterol oxidase from Pseudomonas sp. and catalase immobilized in carbon paste electrode (CPE) modified with multiwall carbon nanotubes (MWCNT) and ionic liquid (IL). The working electrode (CPE/MWCNT-IL/Microorganism (MO)-Catalase) was characterized by impedance spectroscopy and cyclic voltammetry at different stages of its construction. This proposed cholesterol biosensor performed linear relationship in the range of 5–600 μM with a low detection limit of 1.52 μM. The biosensor showed good sensitivity and high selectivity and it was successfully applied for the measurement of cholesterol levels in lyophilized serum samples.