Role of the gouy phase in the coherent phase control of the photoionization and photodissociation of vinyl chloride

We demonstrate theoretically and experimentally that the Gouy phase of a focused laser beam may be used to control the photoinduced reactions of a polyatomic molecule. Quantum mechanical interference between one- and three-photon excitation of vinyl chloride produces a small phase lag between the dissociation and ionization channels on the axis of the molecular beam. Away from the axis, the Gouy phase introduces a much larger phase lag that agrees quantitatively with theory without any adjustable parameters.     

Pulse Slippage of Resonant Third Harmonic Generation in Electron-Hole Plasma

Effect of pulse slippage on resonant third harmonic generation of a short pulse laser in electron-hole plasma in the presence of wiggler magnetic field has been investigated. The group velocity mismatch of the third harmonic pulse and the fundamental pulse is significant in electron hole plasma. As the third harmonic pulse has higher group velocity than that of fundamental pulse, therefore, it moves faster than the fundamental pulse. It gets slipped out of the domain of fundamental pulse and its amplitude saturates. Phase matching condition is satisfied by applying wiggler magnetic field,which provides additional angular momentum to the third harmonic photon to make the process resonant. Enhancement in the efficiency of third harmonic generation of an intense short pulse laser in electron-hole plasma embedded with a magnetic wiggler is seen.     

Structural insights of dipeptidyl peptidase-IV inhibitors through molecular dynamics-guided receptor-dependent 4D-QSAR studies

Dipeptidyl peptidase-IV (DPP-IV) inhibitors are promising antidiabetic agents. Currently, several DPP-IV inhibitors have been approved for therapeutic use in diabetes mellitus. Receptor-dependent 4D-QSAR is comparatively a new approach which uses molecular dynamics simulations to generate conformational ensemble profiles of compounds representing a dynamic state of compounds at a target’s binding site. This work describes a receptor-dependent 4D-QSAR study on triazolopiperazine derivatives. QSARINS multiple linear regression method was adopted to generate 4D-QSAR models. A model with 9 variables was found to have better predictive accuracy with \({R}^{2}=0.692\), \({Q}^{2}\) (leave-one-out) = 0.592 and \({R}^{2}\) predicted = 0.597. The location of these 9 variables at the binding site of DPP-IV revealed the importance of the residues Val711, Tyr662, Tyr666, Val202, Asp200 and Thr199 in making critical interactions with DPP-IV inhibitors. The study of these critical interactions revealed the structural features required in DPP-IV inhibitors. Thus, in this study the importance of a halogen substituent on a phenyl ring, the extent of substitution on the triazolopiperazine ring, the presence of an ionizable amino group and the presence of a hydrophobic substituent that can bind deeper in binding pocket of DPP-IV were revealed.     

Performance Analysis for Downstream Next Generation Converged WSN-PON ODN Network Incorporating Diverse Phase Delay

In this article, a cluster-based WSN convergence with passive optical network (PON) as optical distributed network (ODN) has been proposed, where sensed information of WSN is transferred over fiber cable to enhance the transmission range. The proposed integrated WSN-PON network has been investigated at different fiber lengths incorporating diverse phase delays to WSN data. The performance of the proposed scheme is reported in terms of optical spectrum, SNR, and BER. The outcomes prove fruitful convergence of WSN-PON ODN and serve as a guideline to develop such a converged network.     

Exopolysaccharide production by a marine cyanobacterium Cyanothece sp.

The adsorption and the hydrolytic action of purified cellulases of Trichoderma reesei, namely, cellobiohydrolase I (CBH I), endoglucanase II (EG II), and their core proteins, on steam-pretreated willow were compared. The two enzymes differed clearly in their adsorption and hydrolytic behavior. CBH I required the cellulose-binding domain (CBD) for efficient adsorption and hydrolysis, whereas EG II was able to adsorb to steam pretreated willow without its CBD. Absence of the CBD decreased the hydrolysis of cellulose by EG II, but the decrease was less pronounced than with CBH I. A linear relationship was observed between the amount of enzyme adsorbed and the degree of hydrolysis of cellulose only for CBHI. EG II and EG II core appeared to be able to hydrolyze only 1 to 2% of the substrate regardless of the amount of protein adsorbed.     

Enhanced photo-stability, thermal-stability and aqueous-stability of indocyanine green in polymeric nanoparticulate systems

Photo-degradation, thermal-degradation and aqueous-instability of indocyanine green (ICG) limits its application as a fluorescence contrast agent for imaging purposes. Thus, the objective of this study is to develop polymeric nanoparticles entrapping ICG and to establish its effectiveness in providing photo-stability, thermal stability and aqueous stability to ICG. Nanoparticles entrapping ICG were engineered, characterized and the degradation kinetics of ICG in the nanoparticles was investigated in aqueous media. The entrapment of ICG in the nanoparticles causes a shift in its wavelength of peak fluorescence and a decrease in its peak fluorescence intensity. The degradation of ICG in aqueous nanoparticle suspension followed first-order kinetics for the time period studied. ICG entrapment in the nanoparticles enhanced aqueous-stability of ICG (half-life, t(1/2) was 72.2+/-6.1 h for ICG in the nanoparticles as compared to 16.8+/-1.5 h for free ICG solution), photo-stability of ICG (t(1/2) was 73.7+/-7.5 h for ICG in the nanoparticles as compared to 14.4+/-2.4 h for free ICG solution when exposed to room light from two 32 W normal fluorescent tubes) and thermal-stability of ICG (t(1/2) of ICG at 42 degrees C was 62.4+/-1.7 h for ICG in the nanoparticles as compared to 10.1+/-0.6 h for free ICG solution).     

Ion exchange in reverse micelles

The distribution and dynamics of alkali cations inside Na-AOT reverse micelles have been investigated using Monte Carlo and molecular dynamics simulations. Water is modeled using the extended simple point charge (SPC/E) model. Simulations were carried out for alkali salts of Li+, Na+, K+, and Cs+ placed into the aqueous core of the reverse micelle, for situations corresponding to one and three molecules of added salt. In all cases, we observe that the larger K+ and Cs+ ions exchange with the Na+ counterion; however, the smaller Li+ ion prefers to remains solvated within the core of the reverse micelle. Our study reveals that the oil-water interface of the Na-AOT reverse micelle has the greatest selectivity toward Cs+ followed by K+ and Li+. A model based on enthalpic contributions illustrates that the solvation energies of the different cations in water control the ion-exchange process. The hydration number of the first water shell for Li+ situated in the aqueous core of the reverse micelle with radius R = 14.1 A was similar to that observed at infinite dilution in bulk water.