Axially Symmetric Bianchi Type-I Model with Massless Scalar Field and Cosmic Strings in Barber’s Self-Creation Cosmology

Axially symmetric Bianchi type-I space time is considered in the presence of massless scalar field and cosmic strings in Barber’s (Gen. Relativ. Gravit. 14:117, 1982) self-creation theory with two conditions (i) A=B ⁿ and (ii) ε+λ=0. Some physical and kinematical properties of the model, thus obtained, are also discussed.     

Development of New Synthetic Strategies,Tactics and their Applications

This account covers our work related to the development of various synthetic methodologies since 1994. We summarized our strategies and their application to design various functional molecules. In this regard, we also report the utility of our methodologies in others research work. These methods we report here are simple and efficient for the synthesis of a wide variety of intricate molecules such as heterocycles, polycycles, unusual α‐amino acids, star‐shaped molecules, and modified peptides. For this purpose, we used various transition metal‐based reagents and catalysts. Various popular reactions such as metathesis, Suzuki coupling, [2+2+2] cyclotrimerization were used to assemble these targets. Moreover, rongalite has been used to expand the Diels‐Alder chemistry.     

Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline

Catalytic synthesis of dihydropyridine by transition-metal complex is one of the important research targets, recently. Density functional theory calculations here demonstrate that nickel(I) hydride complex (bpy)Ni^IH (bpy = 2,2′-bipyridine) 1 is a good catalyst for hydrosilylation of both quinoline and pyridine. Two pathways are possible; in path 1, substrate reacts with 1 to form stable intermediate Int1 . After that, N³─C¹ bond of substrate inserts into Ni─H bond of 1 via TS1 to afford N-coordinated 1,2-dihydroquinoline Int2 with the Gibbs activation energy (ΔG°^‡) of 21.8 kcal mol⁻¹. Then, Int2 reacts with hydrosilane to form hydrosilane σ-complex Int3 ; this is named path 1A. In the other route (path 1B), Int1 reacts with phenylsilane in a concerted manner via hydride-shuttle transition state TS2 to afford Int3 . In TS2 , Si atom takes hypervalent trigonal bipyramidal structure. Formation of hypervalent structure is crucial for stabilization of TS2 (ΔG°^‡ = 17.3 kcal mol⁻¹). The final step of path 1 is metathesis between Ni─N³ bond of Int3 and Si─H bond of PhSiH₃ to afford N-silylated 1,2-dihydroproduct and regenerate 1 (ΔG°^‡ = 4.5 kcal mol⁻¹). In path 2, 1 reacts with hydrosilane to form Int5 , which then forms adduct Int6 with substrate through Si–N interaction between substrate and PhSiH₃. Then, N-silylated 1,2-dihydroproduct is produced via hydride-shuttle transition state TS5 (ΔG°^‡ = 18.8 kcal mol⁻¹). The absence of N-coordination of substrate to Ni^I in TS5 is the reason why path 2 is less favorable than path 1B. Quinoline hydrosilylation occurs more easily than pyridine because quinoline has the lowest unoccupied molecular orbital at lower energy than that of pyridine. © 2019 Wiley Periodicals, Inc.     

Molecular electrostatic potentials of divalent carbon(0) compounds

The molecular electrostatic potentials of divalent carbon(0) and divalent carbon(ii) compounds are calculated and the results are compared with theoretically predicted proton affinities and complexation energies with BH(3).     

Experimental investigation on phosphate adsorption,mechanism and desorption properties of Mn-Zn-Ti oxide trimetal alloy nanocomposite

Recently composite metal oxides have gained significant attention to be used as adsorbent because of their synergetic effects. Particularly Manganese containing composite oxides are useful for removal of inorganic oxyacids such as phosphate or arsenate. In present study fabrication of Mn-Zn-Ti Oxide adsorbent for phosphate removal carried out via co precipitation method. Surface properties deduced by TEM, FESEM, EDAX and XRD, revealed nanosized composite material has a porous nature constitute of alloy type mixing of the metals. Size of the nanocomposite found to be as small as 6?nm. Adsorption capacity for phosphate estimated at different pH, time and adsorbent dose by batch mode. In addition desorption properties and thermodynamic study also carried out. Several isotherms and kinetic models applied to observe adsorption properties of the Mn-Zn-Ti Oxide nanocomposite. Adsorption capacity found to be 151?mg/g at pH 6, time 90?min, adsorbent dose 0.20?g/L and phosphate concentration of 200?mg/L. Adsorption data fitted to second order kinetics and Freundlich isotherm. Formation of complex between nanocomposite and phosphate predicted from FTIR and supported by pH kinetic and isotherm studies. Desorption and reusability found to be well maintained over five cycles.     

A vinylene‐linked benzo[1,2‐b:4,5‐b']dithiophene‐2,1,3‐benzothiadiazole low‐bandgap polymer

A new heteroarylene‐vinylene donor–acceptor polymer P(BDT‐V‐BTD) with reduced bandgap has been synthesized and its photophysical, electronic and photovoltaic properties investigated both experimentally and theoretically. The structure of the polymer comprises an unprecedented combination of a strong donor (4,8‐dialkoxy‐benzo[1,2‐b:4,5‐b']dithiophene, BDT), a strong acceptor (2,1,3‐benzothiadiazole, BTD) and a vinylene spacer. The new polymer was obtained by a metal‐catalyzed cross‐coupling Stille reaction and fully characterized by NMR, UV–vis absorption, GPC, TGA, DSC and electrochemistry. Detailed ab initio computations with solvation effects have been performed for the monomer and model oligomers. The electrochemical investigation has ascertained the ambipolar character of the polymer and energetic values of HOMO, LUMO and bandgap matching materials‐design rules for optimized organic photovoltaic devices. The HOMO and LUMO energies are consistently lower than those of previous heteroarylene‐vinylene polymer while the introduction of the vinylene spacer afforded lower bandgaps compared to the analogous system P(BDT‐BTD) with no spacer between the aromatic rings. These superior properties should allow for enhanced photovoltages and photocurrents in photovoltaic devices in combination with PCBM. Preliminary photovoltaic investigation afforded relatively modest power conversion efficiencies of 0.74% (AM 1.5G, 100 mW/cm²), albeit higher than that of previous heteroarylene‐vinylene polymers and comparable to that of P(BDT‐BTD). © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Transverse Stiffness of a Sinusoidally Corrugated Plate∗

Abstract

An analytical model for the initial transverse stiffness of a sinusoidally corrugated plate is derived, incorporating deformations due to extension, shear, and bending. A nondimensional plot is developed for determining transverse stiffness based on thickness and corrugation for a range of plate geometries. This model shows that for most corrugated plates the transverse stiffness is dramatically decreased from that of an uncomigated plate of the same thickness. For thin plates, a simple approximate polynomial expression for initial transverse stiffness is obtained. For thick plates with a small degree of corrugation, transverse stiffness is not negligible relative to longitudinal stiffness. The exact model is verified using a linear-elastic two-dimensional finite element model.