Field emission studies of silver nanoparticles synthesized by electron cyclotron resonance plasma

Field emission has been studied for silver nanoparticles (25-200 nm), deposited within a cylindrical silver target in an electron cyclotron resonance (ECR) plasma. Particle size distribution was controlled by optimum biasing voltages between the chamber and the target. Presence of non-oxidized silver was confirmed from the X-Ray diffraction analysis; however, thin protective layer of oxide was identified from the selective area electron diffraction pattern obtained with transmission electron microscopy. The silver nanoparticles were seen to exhibit hilly pointed like structures when viewed under the atomic force microscopy (AFM). The emissive properties of these particles were investigated by field emission microscopy. It is found that this technique of deposition is ideal for formation of nanoparticles films on different substrate geometries with size controllability as well as its application to emission devices.     

Investigation of electronic properties of crystalline arsenic chalcogenides: Theory and experiment

The electronic structure of crystalline As₂S₃ and As₂Se₃ has been calculated in this paper. We present the energy bands, density of states (DOS) and the Compton profiles using the linear combination of atomic orbitals (LCAO) scheme based on the density functional theory (DFT). From the calculated total and partial density of states it is seen that the lone-pair p-states of sulphur/selenium contribute closest to the Fermi energy level. To interpret the theoretical data on the Compton line shape, we have measured the Compton profiles on a 100 mCi ²⁴¹Am spectrometer. It is seen that the density functional theory within generalised gradient approximation gives a slightly better agreement with the experimental momentum densities. The nature of chemical bonding in arsenic chalcogenides is studied using Mulliken's population analysis and the experimentally measured equal-valence-electron-density profiles; As₂S₃ is found to be more ionic compared to As₂Se₃.     

Dynamics of zero-Prandtl number convection near onset

We present a detailed bifurcation scenario of zero-Prandtl number Rayleigh-Be?nard convection using direct numerical simulations (DNS) and a 27-mode low-dimensional model containing the most energetic modes of DNS. The bifurcation analysis reveals a rich variety of convective flow patterns and chaotic solutions, some of which are common to that of the 13-mode model of Pal et al. [EPL 87, 54003 (2009)]. We also observed a set of periodic and chaotic wavy rolls in DNS and in the model similar to those observed in experiments and numerical simulations. The time period of the wavy rolls is closely related to the eigenvalues of the stability matrix of the Hopf bifurcation points at the onset of convection. This time period is in good agreement with the experimental results for low-Prandtl number fluids. The chaotic attractor of the wavy roll solutions is born through a quasiperiodic and phase-locking route to chaos.     

Current advances in the synthetic strategies of 2-arylbenzothiazole

Molecular Diversity - Benzothiazole is a privileged scaffold in the field of synthetic and medicinal chemistry. Its derivatives and metal complexes possess a gamut of pharmacological properties and...     

Ab initio study of gold-doped zigzag graphene nanoribbons

The electronic transport properties of zigzag graphene nanoribbons (ZGNRs) through covalent functionalization of gold (Au) atoms is investigated by using non-equilibrium Green’s function combined with density functional theory. It is revealed that the electronic properties of Au-doped ZGNRs vary significantly due to spin and its non-inclusion. We find that the DOS profiles of Au-adsorbed ZGNR due to spin reveal very less number of states available for conduction, whereas non-inclusion of spin results in higher DOS across the Fermi level. Edge Au-doped ribbons exhibit stable structure and are energetically more favorable than the center Au-doped ZGNRs. Though the chemical interaction at the ZGNR–Au interface modifies the Fermi level, Au-adsorbed ZGNR reveals semimetallic properties. A prominent qualitative change of the I–V curve from linear to nonlinear is observed as the Au atom shifts from center toward the edges of the ribbon. Number of peaks present near the Fermi level ensures conductance channels available for charge transport in case of Au-center-substituted ZGNR. We predict semimetallic nature of the Au-adsorbed ZGNR with a high DOS peak distributed over a narrow energy region at the Fermi level and fewer conductance channels. Our calculations for the magnetic properties predict that Au functionalization leads to semiconducting nature with different band gaps for spin up and spin down. The outcomes are compared with the experimental and theoretical results available for other materials.     

Imidazoles as Potential Anticancer Agents: An Update on Recent Studies

Nitrogen-containing heterocyclic rings are common structural components of marketed drugs. Among these heterocycles, imidazole/fused imidazole rings are present in a wide range of bioactive compounds. The unique properties of such structures, including high polarity and the ability to participate in hydrogen bonding and coordination chemistry, allow them to interact with a wide range of biomolecules, and imidazole-/fused imidazole-containing compounds are reported to have a broad spectrum of biological activities. This review summarizes recent reports of imidazole/fused imidazole derivatives as anticancer agents appearing in the peer-reviewed literature from 2018 through 2020. Such molecules have been shown to modulate various targets, including microtubules, tyrosine and serine-threonine kinases, histone deacetylases, p53-Murine Double Minute 2 (MDM2) protein, poly (ADP-ribose) polymerase (PARP), G-quadraplexes, and other targets. Imidazole-containing compounds that display anticancer activity by unknown/undefined mechanisms are also described, as well as key features of structure-activity relationships. This review is intended to provide an overview of recent advances in imidazole-based anticancer drug discovery and development, as well as inspire the design and synthesis of new anticancer molecules.     

Extensive enhancement in power conversion efficiency of dye-sensitized solar cell by using Mo-doped TiO2 photoanode

Journal of Solid State Electrochemistry - In this work, we have synthesized Mo-doped TiO2 nanoparticles by sol–gel method and used them as photoanode in dye-sensitized solar cells (DSSCs). Mo...     

Dynamics of algae blooming: effects of budget allocation and time delay

Algal blooms are increasing in coastal waters worldwide. The study on the features of algal pollution in water bodies and the ways to eliminate them is of vital importance. Preventing, treating, and monitoring algal blooms can be an unanticipated cost for a water system. To tame algal bloom in a lake, the government provides funds through budget allocation. In this paper, we propose a mathematical model to investigate the effect of budget allocation on the control of algal bloom in a lake. We assume that the growth of budget follows logistic law and also increases in proportion to the algal density in the lake. A part of the budget is utilized for the control of inflow of nutrients, while the remaining is used in the removal of algae from the lake. Our results show that algal bloom can be mitigated from the lake by reducing the inflow rate of nutrients to a very low value, which can be achieved for very high efficacy of budget allocation for the control of nutrients inflow from outside sources. Also, increasing the efficacy of budget allocation for the removal of algae helps to control the algal bloom. Further, more budget should be used on the control of nutrient’s inflow than on the removal of algae, as the presence of nutrients in high concentration will immediately proliferate the growth of algae. Moreover, the combined effects of controlling the inflow of nutrients and removing algae at high rates will result in nutrients and algae-free aquatic environment. Further, we modify the model by considering a discrete time delay involved in the increment of budget due to increased density of algae in the lake. We observe that chaotic oscillations may arise via equilibrium destabilization on increasing the values of time delay. We apply basic tools of nonlinear dynamics such as Poincaré section and maximum Lyapunov exponent to confirm the chaotic behavior of the system.

     

DC electrical conduction and morphological behavior of counter anion‐governed genesis of electrochemically synthesized polypyrrole films

Highly conducting polypyrrole (PPY) films, doped with various anions [pTS^?, ClO₄^?, and NO₃^? and mixed electrolyte system (pTS^? + ClO₄^?)], have been electrochemically synthesized in aqueous solution at ～275 K in an inert atmosphere. PPY exhibits metallic order dc conductivity at room temperature and shows variation of conductivity with respect to time of polymerization. Effect of dopant anion on growth mechanism of PPY is evident from its surface morphology. X‐ray photoelectron spectroscopy (XPS), used to examine the surface composition and doping level of various PPY films, confirms the anionic doping into the polymer backbone. Both XPS and ultraviolet–visible spectroscopy give evidence of formation of polarons and bipolarons. The temperature (4.2–320 K)‐dependent dc conductivity data of these PPY films have been explained by Mott's 3D variable‐range hopping conduction model. Mott's parameters have been estimated, and structural disorder with doping is correlated for all the samples. Mott's criterion for distant hopping sites prevails in case of moderately doped samples (PPY3, PPY4, and PPY5), whereas the hopping to nearest neighbor sites is found more suitable in case of highly doped samples (PPY1 and PPY2). The origin of these changes is due to the modification in the molecular structure of PPY, which is governed by different growth mechanisms for organic (pTS^?) and inorganic (ClO₄^? and NO₃^?) counter anions. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Palladium complex containing two sterically hindered ligands as highly efficient catalyst for Suzuki–Miyaura reaction

A new palladium(II) complex containing two sterically hindered ligands, a P,P‐bonded diphosphine and N,N‐bonded Schiff base, within the same coordination sphere has been synthesized and investigated as a catalyst for the Suzuki–Miyaura cross‐coupling reactions of aryl halides with arylboronic acids. The reaction was highly efficient with aryl bromides in water at room temperature and aryl chlorides in dimethylformamide under relatively mild conditions. Excellent yields of coupling products were obtained for a wide range of aryl halides including heteroaryl halides with a low loading of catalyst. Copyright © 2015 John Wiley & Sons, Ltd.