Investigation of phonon anomalies in intermediate valence compounds SmS and Sm0·65Y0·25S

Phonon anomalies in two intermediate valence compounds (IVC), SmS and Sm_0·75Y_0·25S have been investigated using breathing shell model (BSM). The BSM includes breathing motion of electron shells of the rare earth atom due tof−d hybridization. The phonon dispersion curves of IVC, calculated from the present model, agree well with the measured data. One-phonon density of states calculated from the present model compares well with the Raman spectra.     

Asymmetric bound states of spiral pairs in excitable media

We present a stable regime of asymmetric bound states for spiral pairs in a generic numerical model of a homogeneous excitable medium. In this regime, one spiral tip (slave) rotates around the other (master). Master-slave dynamics occur for both same-chirality and opposite-chirality spiral pairs in a range of parameters and initial conditions. We study the dependency of master-slave characteristics on the medium's excitation threshold and present a phenomenological model that accounts for the qualitative properties of master-slave dynamics.     

A new class of modular chiral ligands with fluxional groups

In ligand design for asymmetric catalysis, the usual norm is to derive the face shielding elements from a chiral source. New ligands in which the face shielding is determined by fluxional groups are introduced. Their design, modular synthesis, and experiments to demonstrate the significance of the fluxional groups are discussed. The advantage is that the fluxional groups, introduced at a later stage, allow for simple tuning of the face shielding group.     

Experimental studies on the microstructure and hardness of laser-treated steel specimens

An experimental investigation with 5 kW CW CO₂ laser system was carried out to study the effects of different laser and process parameters on the microstructure and hardness of carbon steel specimen with varying carbon percentage. The laser beam is allowed to scan on the surface of the work piece varying the power (1.1–2.5 kW) and traverse speed (6–15 mm/s) at two different spot sizes using TEM_01* mode laser beam. The most hardenable microstructure achieved in case of three grades of carbon steel and the most influencing parameter on the value of hardness are reported. Besides the above study, some multipass operations are also carried out to recommend an appropriate gap between consecutive passes.     

Total synthesis of (−)-radicamine B

The synthesis of a chiral cyclic nitrone with l-arabino configuration and its application in the total synthesis of radicamine B is reported. An agreement in the spectral data with natural radicamine B but specific rotation with an opposite sign warranted a revision of the absolute configuration of radicamine B.     

Synthesis of zirconium diboride and its application in the protection of stainless steel surface in harsh environment

Journal of Solid State Electrochemistry - Surface degradation of steel is one of the key problems of steel end user because of the electrochemical reaction at the steel surface caused by...     

Molecular structural investigations of quinoxaline derivatives through 3D-QSAR,molecular docking,ADME prediction and pharmacophore modeling studies for the search of novel antimalarial agent

In the present article, a dataset of 63 quinoxaline derivatives were taken for antimalarial activity and pharmacophore were developed. Atom based method was used to develop a three dimensional quantitative structure activity relationship (3D-QSAR) model. On comparison of all statistical parameters, model AHRRR23 was found to be the most effective and predictive QSAR model as it satisfied all statistical parameters of a good model. The model AHRRR23 showed an adequate R² value for the training set 0.9446, good predictive power with Q² of 0.6409, good F- value, low SD 0.1218 value and outstanding Pearson-R values and low RMSE 0.2779 values of the model. The docking studies also gives very good results with good RMSD values. 3D QSAR, docking and ADME studies exhibits that the developed model could be employed as a potential lead for further study as antimalarial drug.