H-point standard addition method for the selective simultaneous determination of nickel and copper using 1-(2-pyridylazo)-2-naphthol in Tween 80 micellar media.

The H-point standard addition method (HPSAM) has been applied for the simultaneous determination of nickel and copper in trace levels, using 1-(2-pyridylazo)-2-naphthol (PAN) as a chromogenic reagent in aqueous Tween 80 micellar media. Under the optimum condition, the simultaneous determinations of nickel and copper by HPSAM were performed. The absorbances at one pair of wavelengths, 548 and 579 nm, were monitored with the addition of standard solutions of copper. The method is able to accurately determine copper-to-nickel ratios of 15:1 to 1:10 (Wt/Wt). The effects of diverse ions on the determination of nickel and copper to investigate the selectivity of the method were also studied. The recommended procedure was successfully applied to some water and alloy samples.     

Design,Synthesis, Docking,DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects

A nicotinamide-based derivative was designed as an antiproliferative VEGFR-2 inhibitor with the key pharmacophoric features needed to interact with the VEGFR-2 catalytic pocket. The ability of the designed congener ((E)-N-(4-(1-(2-(4-benzamidobenzoyl)hydrazono)ethyl)phenyl)nicotinamide), compound 10, to bind with the VEGFR-2 enzyme was demonstrated by molecular docking studies. Furthermore, six various MD simulations studies established the excellent binding of compound 10 with VEGFR-2 over 100 ns, exhibiting optimum dynamics. MM-GBSA confirmed the proper binding with a total exact binding energy of −38.36 Kcal/Mol. MM-GBSA studies also revealed the crucial amino acids in the binding through the free binding energy decomposition and declared the interactions variation of compound 10 inside VEGFR-2 via the Protein–Ligand Interaction Profiler (PLIP). Being new, its molecular structure was optimized by DFT. The DFT studies also confirmed the binding mode of compound 10 with the VEGFR-2. ADMET (in silico) profiling indicated the examined compound’s acceptable range of drug-likeness. The designed compound was synthesized through the condensation of N-(4-(hydrazinecarbonyl)phenyl)benzamide with N-(4-acetylphenyl)nicotinamide, where the carbonyl group has been replaced by an imine group. The in-vitro studies were consonant with the obtained in silico results as compound 10 prohibited VEGFR-2 with an IC₅₀ value of 51 nM. Compound 10 also showed antiproliferative effects against MCF-7 and HCT 116 cancer cell lines with IC₅₀ values of 8.25 and 6.48 μM, revealing magnificent selectivity indexes of 12.89 and 16.41, respectively.     

On total covers of graphs

A total cover of a graph G is a subset of V(G)E(G) which covers all elements of V(G)E(G). The total covering number ₂(G) of a graph G is the minimum cardinality of a total cover in G. In [1], it is proven that ₂(G)[n/2] for a connected graph G of order n. Here we consider the extremal case and give some properties of connected graphs which have a total covering number [n/2]. We prove that such a graph with even order has a 1-factor and such a graph with odd order is factor-critical.     

Thermal stability and UV–Vis-NIR spectroscopy of a new erbium-doped fluorotellurite glass

A new transparent bulk glass from the system 76TeO₂?·?10ZnO?·?9.0PbO?·?1.0PbF₂?·?3.0Na₂O doped with Er³⁺ (TZPPN doped with Er³⁺) has been prepared using the conventional melt-quenching method. Results of differential thermal analysis (DTA) measurements indicate good thermal stability of this glass. The refractive indices at different wavelengths, the optical energy gap, the Sellmeier gap energy and the dispersion energy have been estimated. The Judd–Ofelt parameters, Ω _t (t?=?2,?4,?6) of Er³⁺ were evaluated from optical absorption spectra. Electric dipole, magnetic dipole type transition probabilities, spectroscopic quality factors, branching ratio and radiative lifetimes of several excited states of Er³⁺ have been predicted using intensity Judd–Ofelt parameters. The spectroscopic properties indicate that TZPPN glass doped with Er³⁺ is a promising candidate for laser applications and may be suitable for upconversion fibre optical devices.     

A redetermination of the lifetime of the 4s 5s (3S1) level in Ca by high-rate electron—photon stepwise pulse excitation

The radiative lifetime of the 4s 5s (³S₁) level in Ca was measured using two-step excitation of atoms in a beam which traverses a cold-cathode Penning discharge, where, by electron impact the atoms are excited to the metastable 4s 5p (³P_{2, 1, 0}) states. Immediately thereafter, the beam is crossed with a pulse-modulated cw dye laser beam to populate the final state selectively. Using a pulse-modulation frequency of 0.5 MHz, a preliminary value of 12.4 ± 0.5 ns was obtained with a statistical error of 0.4%. The wide limits of systematic error reflect an assumed uncertainty in the excitation function and possible distortion in the fluorescence decay requiring further study.     

Computational study of plasma-assisted photoacoustic response from gold nanoparticles irradiated by off-resonance ultrafast laser

The gold nanoparticles (AuNPs) are capable of enhancing the incident laser field in the form of scattered near field for even an off-resonance irradiation where the incident laser wavelength is far away from the localized surface plasmon resonance (LSPR). If the intensity of the pulse laser is large enough, this capability can be employed to generate a highly localized free electron (plasma) in the vicinity of the particles. The generated plasma can absorb more energy during the pulse, and this energy deposition can be considered as an energy source for structural mechanics calculations in the surrounding media to generate a photoacoustic (PA) signal. To show this, in this paper, we model plasma-mediated PA pressure wave propagation from a 100-nm AuNPs and the surrounding media irradiated by an ultrashort pulse laser. In this model, the AuNP is immersed in water and the laser pulse width is ranging from 70 fs to 2 ps at the wavelength of 800 nm (off-resonance). Our results qualitatively show the substantial impact of the energy deposition in plasma on the PA signal through boosting the pressure amplitudes up to ～1000 times compared to the conventional approach.     

Dense monoenergetic proton beams from chirped laser-plasma interaction

Interaction of a frequency-chirped laser pulse with single protons and a hydrogen gas target is studied analytically and by means of particle-in-cell simulations, respectively. The feasibility of generating ultraintense (10(7) particles per bunch) and phase-space collimated beams of protons (energy spread of about 1%) is demonstrated. Phase synchronization of the protons and the laser field, guaranteed by the appropriate chirping of the laser pulse, allows the particles to gain sufficient kinetic energy (around 250 MeV) required for such applications as hadron cancer therapy, from state-of-the-art laser systems of intensities of the order of 10(21) W/cm(2).     

Conformal Invariance, Accelerating Universe and the Cosmological Constant Problem

We investigate a conformal invariant gravitational model which is taken to hold at early universe. The conformal invariance allows us to make a dynamical distinction between the two unit systems (or conformal frames) usually used in cosmology and elementary particle physics. In this model we argue that when the universe suffers phase transition, the resulting mass scale introduced by particle physics should have a variable contribution to vacuum energy density. This variation is controlled by the conformal factor which is taken as a dynamical field. We then deal with the cosmological consequences of this model. In particular, we shall show that there is an inationary phase at early times. At late times, on the other hand, it provides a mechanism which makes a large effective cosmological constant relax to a sufficiently small value. Moreover, we shall show that the conformal factor acts as a quintessence field that leads the universe to accelerate at late times.     

Influence of frequency, temperature and composition on electrical properties of polycrystalline Co0.5CdxFe2.5−xO4 ferrites

Polycrystalline ferrites with general formula Co_0.5Cd_xFe_2.5−xO₄ (0.0?x?0.5) were prepared by sol-gel method. The dielectric properties ε′, ε″, loss tangent tan δ and ac conductivity σ_ac have been studied as a function of frequency, temperature and composition. The experimental results indicate that ε′, ε″, tan δ and σ_ac decrease as the frequency increases; whereas they increase as the temperature increases. These parameters are found to increase by increasing the concentration of Cd content up to x=0.2, after which they start to decrease with further increase in concentration of Cd ion. The dielectric properties and ac conductivity in studied samples have been explained on the basis of space charge polarization according to Maxwell and Wagner's two-layer model and the hoping between adjacent Fe²⁺ and Fe³⁺ as well as the hole hopping between Co³⁺and Co²⁺ ions at B-sites. The values of activation energies E_f for conduction process are determined from Arrhenius plots, and the variations in these activation energies as a function of Cd content are discussed. The complex impedance analysis is used to separate the grain and grain boundary of the system Co_0.5Cd_xFe_2.5−xO₄. The variations of both grain boundary and grain resistances with temperature and composition are evaluated in the frequency range 42 Hz-5 MHz.