Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones via highly exo-selective Huisgen-type [3 + 2] cycloaddition

A Rh(i)-catalyzed highly stereoselective desymmetrization of 2-alkynylbenzaldehyde-tethered cyclohexadienones triggered by intramolecular Huisgen-type [3 + 2] cycloaddition has been developed. This method enables convergent construction of complex epoxy-bridged polycyclic ring systems with five contiguous stereocenters with excellent exo-selectivity and broad substrate scope. The highly atom-economical process involves 6-endo-dig cyclization of carbonyl oxygen onto an activated alkyne resulting in a highly reactive metal–benzopyrylium intermediate, which readily undergoes intramolecular [3 + 2] annulation/hydration. Asymmetric induction is also achieved for the first time in Rh(i)-catalyzed 1,3-dipolar cycloaddition using an easily accessible chiral diene as the ligand.

A Rh(i)-catalyzed highly stereoselective desymmetrization of 2-alkynylbenzaldehyde-tethered cyclohexadienones triggered by intramolecular Huisgen-type [3 + 2] cycloaddition has been developed.     

Pinacol Formation and Reduction of Aromatic Carbonyls with Magnesium–Methanol at Ambient Temperature

A simple and inexpensive procedure for the pinacol formation of aromatic aldehydes and reduction of aromatic ketones to the corresponding alcohols with magnesium in dry methanol at ambient temperature is reported. The pinacol formation and reduction are proposed to be proceeding by SET from magnesium.     

Identification of Druggable Targets for Acinetobacter baumannii Via Subtractive Genomics and Plausible Inhibitors for MurA and MurB

Emergence of the multidrug-resistant pathogens has rendered the current therapies ineffective thereby, resulting in the need for new drugs and drug targets. The accumulating protein sequence data has initiated a drift from classical drug discovery protocols to structure-based drug designing. In the present study, in silico subtractive genomics approach was implemented to find a set of potential drug targets present in an opportunist bacterial pathogen, Acinetobacter baumannii (A. baumannii). Out of the 43 targets identified, further studies for protein model building and lead-inhibitor identification were carried out on two cell-essential targets, MurA and MurB enzymes (of A. baumannii designated as MurA_Ab and MurB_Ab) involved in the peptidoglycan biosynthesis pathway of bacteria. The homology model built for each of them was further refined and validated using various available programs like PROCHECK, Errat, ProSA energy plots, etc. Compounds showing activity against MurA and MurB enzymes of other organisms were collected from the literature and were docked into the active site of MurA_Ab and MurB_Ab enzymes. Three inhibitors namely, T6361, carbidopa, and aesculin, showed maximum Glide score, hydrogen bonding interactions with the key amino acid residues of both the enzymes and acceptable ADME properties. Furthermore, molecular dynamics simulation studies on MurA_Ab–T6361 and MurB_Ab–T6361 complexes suggested that the ligand has a high binding affinity with both the enzymes and the hydrogen bonding with the key residues were stable in the dynamic condition also. Therefore, these ligands have been propsed as dual inhibitors and promising lead compounds for the drug design against MurA_Ab and MurB_Ab enzymes.     

Fano profile in a novel double cavity optomechanical system with harmonically bound mirrors

We investigate a double cavity optomechanical system generating single and double Fano resonance (multi-Fano). By altering a single parameter, the tunnelling rate g of the middle mirror, we are able to switch between single and double Fano line shapes. The first spectral line shape is stronger in the case of multi-Fano than in the case of single Fano. Also the behaviour of the steady state value of the displacement of the middle mirror, with respect to g, heavily influences the behaviour of double Fano lines in our scheme. This tunability along with using a single pump and signal/probe laser has an added advantage in situations where only low power consumption is available.     

Lanthanum sulfide-manganese sulfide/graphene oxide (La2S3-MnS/GO) composite thin film as an electrocatalyst for oxygen evolution reactions

Journal of Solid State Electrochemistry - In this study, the lanthanum sulfide-manganese sulfide (La2S3-MnS) nanosheet composite films with different thicknesses were grown on graphene oxide (GO)...     

Morpholine Adsorbed on Silica Gel: A Novel and Mild Basic Catalyst for the Synthesis of α,β-Unsaturated Nitroalkenes

 Syntheses of α,β-unsaturated nitroalkenes have been carried out under mild condition using morpholine adsorbed on silica gel as a novel catalyst.     

Synthesis and characterization of LaB6 thin films on tungsten, rhenium, silicon and other substrates and their investigations as?field emitters

The paper deals with the comparative study of nanocrystalline Lanthanum hexaboride (LaB₆) thin films grown on various substrates by Pulsed laser deposition and Arc plasma method. Field emission studies were carried out on LaB₆ films deposited on various substrates show metallic behavior of the emitters. The high value of field enhancement factors, indicating that the electron emission from LaB₆ nanoscale protrusions deposited on emitter surface. The post field emission surface morphology of the emitters showed no significant erosion of the films during continuous operation. The observed behavior indicates that it is linked with the growth of LaB₆ films on substrate crystal structure. The LaB₆ nanocrystallites/nanowires films were synthesized using arc plasma method shows good emission current stability. The LaB₆ micro/nanocrystallites were also obtained by picosecond laser irradiation which gives high enhancement β factor, and good emission current stability along with high current density. The results reveal that nanocrystalline LaB₆ films, exhibit high resistance to ion bombardment and excellent structural stability and are more promising emitters for practical applications in field emission based new generation devices.     

Predictive model for ice formation on superhydrophobic surfaces

The prevention and control of ice accumulation has important applications in aviation, building construction, and energy conversion devices. One area of active research concerns the use of superhydrophobic surfaces for preventing ice formation. The present work develops a physics-based modeling framework to predict ice formation on cooled superhydrophobic surfaces resulting from the impact of supercooled water droplets. This modeling approach analyzes the multiple phenomena influencing ice formation on superhydrophobic surfaces through the development of submodels describing droplet impact dynamics, heat transfer, and heterogeneous ice nucleation. These models are then integrated together to achieve a comprehensive understanding of ice formation upon impact of liquid droplets at freezing conditions. The accuracy of this model is validated by its successful prediction of the experimental findings that demonstrate that superhydrophobic surfaces can fully prevent the freezing of impacting water droplets down to surface temperatures of as low as -20 to -25 °C. The model can be used to study the influence of surface morphology, surface chemistry, and fluid and thermal properties on dynamic ice formation and identify parameters critical to achieving icephobic surfaces. The framework of the present work is the first detailed modeling tool developed for the design and analysis of surfaces for various ice prevention/reduction strategies.