The saturated five‐membered heterocyclic molecules as organic hydride donors: a computational study

Several five‐membered heterocyclic molecules were studied theoretically as organic hydride donors. The density functional theory and ab initio methods are employed to study the direct one‐step or multistep sequence suggested for the hydride transfer from the selected molecules: H atom/electron, electron/proton/electron or electron/H atom. Out of the three multistep mechanisms, electron/H atom seems to be a probable pathway in the presence of suitable catalyst/photoreaction that can cause ionization. In the lack of such catalyst/photoreaction, the direct hydride transfer seems to be most probable with the presence of suitable hydride acceptor. A detailed mechanism of the hydride transfer from the five‐membered heterocylic compounds is important in understanding chemical and biological reactions and required for scientifically designing and synthesizing new desired five‐membered heterocyclic compounds as organic hydride donor. Copyright © 2014 John Wiley & Sons, Ltd.     

Simulative analysis of co-existing 2.5 G/10 G asymmetric XG-PON system using RZ and NRZ data formats

In this paper, a fiber optic communication system has been employed using co-existing 10 G/2.5 G asymmetric gigabit passive optical network (XG-PON) architecture. In this system, bidirectional optical fiber has been used for upstream and downstream data transmission. The system performance has been investigated for non-return-to-zero (NRZ) and return-to-zero (RZ) data formats operating at varying bit rates by varying the length of the fiber for analyzing the feasibility of this co-existence. The results have been compared for NRZ and RZ formats for upstream and downstream data in terms of Q value and eye opening. It is observed that RZ modulation format is superior as compared to conventional NRZ format and the faithful transmission of signal has been carried up to 90 km at 1577 nm for downstream and 140 km at 1270 nm for upstream.     

Multi parameter optimization of Raman Fiber Amplifier using genetic algorithm for S band dense wavelength division multiplexed system

A simple genetic algorithm is implemented to perform multi parameter optimization of Raman Fiber Amplifier for 100 channel S band dense wavelength division multiplexed system at 25 GHz interval. A cost effective system using single Raman pump is investigated aiming at maximum average gain. The single counter propagating pump is optimized to frequency of 211.528 THz and 652.93 mW power level with optimum Raman fiber length of 44.064 Km. There is evidence to show that the optimum solution presents a small gain variation (less than 3 dB) over an effective bandwidth covering 197–199.475 THz. The optimized configuration enabled an adequate system performance in terms of acceptable Q-factor (19.52 dB) and BER (1.46 × 10⁻²¹).     

Proximity Approach to Study the Fusion Barriers for Proton and Helium Induced Reactions

By using various proximity potentials, the fusion barrier heights and positions are calculated for proton and helium induced reactions with targets in the mass range 51≤ A ≤130 and 12≤ A ≤233, respectively. The calculated fusion barriers are parameterized by using the relations RB^Par = aX1 ＋ b and VB^Par = cX2, where X1 and X2 are A2^1/3 and Z1Z2/RB^Par, respectively. The values of the constants a, b and c are different for different versions of proximity potentials. We find that the parameterized forms derived by using Proximity 1977 yield values closer to the empirical data in proton as well as helium induced reactions and can be used further to estimate directly the barrier parameters for the fusion reactions of proton and helium with any target.     

Reflection and refraction of plane waves at the interface of an elastic solid and microstretch thermoelastic solid with microtemperatures

The problem of reflection and refraction of waves at the interface of an elastic solid and microstretch thermoelastic solid with microtemperatures has been investigated. It is shown that due to incidence of P-wave or SV-wave at the interface, the waves are reflected and refracted. The amplitude ratios of these various reflected and refracted waves have been computed numerically, and graphical representation of their variations is made with the angle of incidence. Effect of microrotation on these amplitude ratios has been shown graphically. Some particular cases of interest have also been discussed.     

Thiacalix[4]arene based fluorescent probe for sensing and imaging of Fe3+ ions

A thiacalix[4]arene based fluorescent chemosensor 3 in the cone conformation has been synthesized and its recognition behaviour is evaluated toward various metal ions in mixed aqueous media. The chemosensor 3 showed high selectivity towards Fe(3+) ions by fluorescence quenching of excimer emission. Further, evaluation of the 3·Fe(3+) complex prepared in situ demonstrated great promise for the detection of the Fe(3+) ion in the presence of amino acids, blood serum and bovine serum albumin (BSA) solution. The compound 3 has suitable permeability into the PC3 cells and can be utilized as a Fe(3+) selective sensor in living cells (PC3 cells).     

Effect of modifiers field strength on optical,structural and mechanical properties of lanthanum borosilicate glasses

An attempt has been made to understand the role of modifiers on physical, mechanical and spectroscopic properties of AO-SiO₂–B₂O₃-La₂O_3, (A = Mg, Ca, Sr, Ba) glasses. The replacement of alkaline earth metals which act as modifier in glass matrix exhibit, marked difference in their strength and optical properties. The results are discussed in light of non-bridging oxygens (NBO), optical basicity, refractive index, polarisability, hardness and fracture toughness. In addition to this, Weibull statistics and cumulative probability of failure have also been analyzed. Band gap of glasses has been calculated using UV–visible spectroscopy where the variation in band gap is observed to increase with the addition of heavier modifier. Raman features have been explored for all prepared samples through Raman spectra which is in agreement with Fourier transform infra-red (FTIR) spectroscopy and Fourier transform nuclear magnetic resonance (FT-NMR).     

Plasmon-enhanced luminescence of Sm complex using silver nanoparticles in Polyvinyl Alcohol

Silver (Ag) nanoparticles (NPs) were prepared by laser ablation in water with an aim to enhance the luminescence of rare earth coordinated complex in polymer host. A fixed concentration of the complex containing Samarium (Sm), Salicylic acid (Sal) and 1, 10-phenanthroline (Phen) were combined with different concentrations of silver NPs in PolyVinyl Alcohol at room temperature. Absorption spectrum and XRD patterns of the sample show that the Sm(Sal)₃Phen complex is accompanied by Ag NPs. The luminescence from the complex was recorded in the presence and absence of Ag NPs using two different excitation wavelengths viz. 400 and 355 nm. Of these, 400 nm radiation falls in the surface plasmon resonance of Ag NPs. It was found that the Ag NPs led to a significant enhancement in luminescence of the complex. Surprisingly, a high concentration of Ag NPs tends to quench the luminescence.     

Preconcentration method on modified silica fiber for chromium speciation

A new method involving pre-concentration on modified silica fiber is described for the speciation of chromium(III) [Cr(III)] and chromium(VI) [Cr(VI)] in aqueous media. This method is based on the different chelating behavior of Cr(III) and Cr(VI) with morpholine-4-carbodithioate (MDTC). Both complexes are extracted on silica fiber modified by sol-gel technology by using 3-aminopropyltriethoxysilane (APS) as a precursor. All extracted samples are directly injected into an high-performance liquid chromatography injector for the simultaneous determination of Cr(III) and Cr(VI). Cr(VI) forms two different complexes, and Cr(III) forms a single complex with MDTC. Therefore, the concentration of Cr(VI) is determined directly from the peak area obtained at 5.4 min; whereas, the assay of Cr(III) is based on subtracting the peak area of Cr(VI) from the total peak area obtained at 4.3 min. Under the optimized conditions, the limits of detection for Cr(III) and Cr(VI) are found to be 0.7 ng/mL and 0.2 ng/mL, respectively.