A sufficient descent three-term conjugate gradient method via symmetric rank-one update for large-scale optimization

In this paper, we propose a three-term conjugate gradient method via the symmetric rank-one update. The basic idea is to exploit the good properties of the SR1 update in providing quality Hessian approximations to construct a conjugate gradient line search direction without the storage of matrices and possess the sufficient descent property. Numerical experiments on a set of standard unconstrained optimization problems showed that the proposed method is superior to many well-known conjugate gradient methods in terms of efficiency and robustness.     

Ground state and excited state dipole moments of 6,8-diphenylimidazo[1,2-α]pyrazine determined from solvatochromic shifts of absorption and fluorescence spectra

Electronic absorption and dual fluorescence spectra of 6,8-diphenylimidazo[1,2-α]pyrazine (68DIP) was recorded in various solvents with different polarity at room temperature. The ground state (μg) and the excited state (μg) dipole moments of 68DIP were estimated from solvatochromic shifts of absorption and fluorescence spectra as a function of the dielectric constant (?) and refractive index (n). The results show that the value of excited state dipole moment in SE: μeSE=2.8772 D and twisted intramolecular charge transfer (TICT) excited equilibrated state dipole moment value of μeLE=2.9744 D was found. The solvent dependent spectral shifts in absorption and fluorescence spectra were analyzed by the polarizability-polarity and Kamlet-Taft parameters.     

Effect of finishing methods on surface roughness and color stability in all-ceramic systems

The objectives of the study were to evaluate the effect of the finishing methods on the surface roughness, and to investigate changes in CIE L*a*b* color coordinates of all-ceramic systems after different finishing methods and accelerated aging. Sixty specimens were prepared, 20 specimens each for Vitadur-N, IPS Empress II, and Cerec Vita Block Mark II. The surface roughness (Ra) following treatment with the different finishing methods was measured using a profilometer. Surface examinations in all groups were made by using a scanning electronic microscope. CIE L*a*b* values of the specimens were determined. After all specimens were subjected to accelerated aging, color measurements were repeated, and the total color differences (ΔE) were calculated. Data were analyzed statistically. Significant differences in surface roughness among all-ceramics were found (P < 0.05). No significant differences were found between the surface roughness of the glazed and polished all-ceramics (P > 0.05). After accelerated aging, all groups had acceptable color changes (ΔE < 2).     

An Improved Study of Electronic Band Structure and Optical Parameters of X-Phosphides (X=B,Al, Ga,In) by Modified Becke-Johnson Potential

We report the electronic band structure and optical parameters of X-Phosphides (X=B, Al, Ga, In) by first-principles technique based on a new approximation known as modified Becke-Johnson (mBJ). This potential is considered more accurate in elaborating excited states properties of insulators and semiconductors as compared to LDA and GGA. The present calculated band gaps values of BP, AlP, GaP, and InP are 1.867 eV, 2.268 eV, 2.090 eV, and 1.377 eV respectively, which are in close agreement to the experimental results. The band gap values trend in this study is as: E_g(mBJ-GGA/LDA) > E_g(GGA) > E_g(LDA). Optical parametric quantities (dielectric constant, refractive index, reflectivity and optical conductivity) which based on the band structure are also presented and discussed. BP, AlP, GaP, and InP have strong absorption in between the energy range 4-9 eV, 4-7 eV, 3-7 eV, and 2-7 eV respectively. Static dielectric constant, static refractive index and coefficient of reflectivity at zero frequency, within mBJ-GGA, are also calculated. BP, AlP, GaP, and InP show significant optical conductivity in the range 5.2-10 eV, 4.3-8 eV, 3.5-7.2 eV, and 3.2-8 eV respectively. The present study endorses that the said compounds can be used in opto-electronic applications, for different energy ranges.     

Kinetic Study of the Electro-Catalytic Oxidation of Hydrazine on Cobalt Hydroxide Modified Glassy Carbon Electrode

Electrocatalytic oxidation of hydrazine was investigated on a cobalt hydroxide modified glassy carbon (CHM-GC) electrode in alkaline solution. The process of oxidation involved and its kinetics were established by using cyclic voltammetry, chronoamperometry techniques as well as steady state polarization measurements. In cyclic voltammetry (CV) studies, in the presence of hydrazine the peak current increase of the oxidation of cobalt hydroxide is followed by a decrease in the corresponding cathodic current. This indicates that hydrazine is oxidized on the redox mediator that is immobilized on the electrode surface via an electrocatalytic mechanism. A mechanism based on the electrochemical generation of Co(IV) active sites and their subsequent consumption by the hydrazine in question was also investigated.     

Shear banding and flow-concentration coupling in colloidal glasses

We report experiments on hard-sphere colloidal glasses that show a type of shear banding hitherto unobserved in soft glasses. We present a scenario that relates this to an instability due to shear-concentration coupling, a mechanism previously thought unimportant in these materials. Below a characteristic shear rate γ(c) we observe increasingly nonlinear and localized velocity profiles. We attribute this to very slight concentration gradients in the unstable flow regime. A simple model accounts for both the observed increase of γ(c) with concentration, and the fluctuations in the flow.     

Synthesis and characterization of mesoporous zinc layered hydroxide-isoprocarb nanocomposite

The ion exchange method was used to intercalate a poor water-soluble insecticide, isoprocarb into zinc layered hydroxide (ZLH). PXRD analysis indicated the successful intercalation with good crystallinity for the resulting nanocomposite, with a basal spacing of 33.1 Å. FTIR analyses showing the resemblance of an absorption peak of the nanocomposite with the host and the guest anion. The thermal analysis confirmed that the nanocomposite had better thermal stability compared to the pristine isoprocarb. The nanocomposite also characterized by elemental and surface morphology analysis. The surface analyses of the host and nanocomposite showed mesoporous-type material characteristics. On the whole, the intercalation process decreased the pore size of the nanocomposite compared to the pristine host, layered zinc layered hydroxide-sodium dodecyl sulphate (ZLH-SDS). The obtained material is believed has a great potential as an environmentally friendly insecticide.     

Safety assessments of subcutaneous doses of aragonite calcium carbonate nanocrystals in rats

Calcium carbonate nanoparticles have shown promising potentials in the delivery of drugs and metabolites. There is however, a paucity of information on the safety of their intentional or accidental over exposures to biological systems and general health safety. To this end, this study aims at documenting information on the safety of subcutaneous doses of biogenic nanocrystals of aragonite polymorph of calcium carbonate derived from cockle shells (ANC) in Sprague-Dawley (SD) rats. ANC was synthesized using the top-down method, characterized using the transmission electron microscopy and field emission scanning electron microscope and its acute and repeated dose 28-day trial toxicities were evaluated in SD rats. The results showed that the homogenous 30 ± 5 nm-sized spherical pure aragonite nanocrystals were not associated with mortality in the rats. Severe clinical signs and gross and histopathological lesions, indicating organ toxicities, were recorded in the acute toxicity (29,500 mg/m²) group and the high dose (5900 mg/m²) group of the repeated dose 28-day trial. However, the medium- (590 mg/m² body weight) and low (59 mg/m²)-dose groups showed moderate to mild lesions. The relatively mild lesions observed in the low toxicity dosage group marked the safety margin of ANC in SD rats. It was concluded from this study that the toxicity of CaCO₃ was dependent on the particulate size (30 ± 5 nm) and concentration and the route of administration used.     

Optimization of reflection spectra for phase-only sampled fiber Bragg gratings

In this paper, the reflection spectra of a phase-only sampled fiber Bragg grating is obtained by optimizing its phase profile. The standard simulated annealing method is improved for optimization, and superior phase profiles which contain as few segments as possible per sampling period are obtained for 8, 16 and 32 identical channels. As very well known, increased number of WDM channels results in higher grating length and refractive index modulation amplitude. It is observed that application of these phase profiles limits the increases in both of these parameters considerably.