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131.
Ambrish Kumar Srivastava Neeraj Misra 《International journal of quantum chemistry》2014,114(5):328-332
Density functional calculations on the ground state geometries and stabilities of PdOn species (n = 1–5) are performed in neutral as well as anionic forms. Calculations reveal that Pd can bind stably with four O atoms indicating the maximum oxidation state of Pd as high as +8. The electron affinities of PdOn suggest that these species behave as superhalogens for n ≥ 2. The large electron affinities of PdOn species along with stability of their anions point toward the synthesis of new class of compounds having unusual oxidizing capabilities. This possibility is explored by considering the interaction of PdO2 superhalogen with Ca atom which forms a stable CaPdO2 complex. In this complex, PdO2 unit closely mimics the behavior of O atom when compared with CaO molecule. © 2013 Wiley Periodicals, Inc. 相似文献
132.
Julien P.A. Makongo Dinesh K. Misra James R. Salvador Nathan J. Takas Guoyu Wang Michael R. Shabetai Aditya Pant Pravin Paudel Ctirad Uher Kevin L. Stokes Pierre F.P. Poudeu 《Journal of solid state chemistry》2011,184(11):2948-2960
Bulk Zr0.25Hf075NiSn half-Heusler (HH) nanocomposites containing various mole fractions of full-Heusler (FH) inclusions were prepared by solid state reaction of pre-synthesized HH alloy with elemental Ni at 1073 K. The microstructures of spark plasma sintered specimens of the HH/FH nanocomposites were investigated using transmission electron microscopy and their thermoelectric properties were measured from 300 K to 775 K. The formation of coherent FH inclusions into the HH matrix arises from solid-state Ni diffusion into vacant sites of the HH structure. HH(1–y)/FH(y) composites with mole fraction of FH inclusions below the percolation threshold, y∼0.2, show increased electrical conductivity, reduced Seebeck coefficient and increased total thermal conductivity arising from gradual increase in the carrier concentration for composites. A drastic reduction (∼55%) in κl was observed for the composite with y=0.6 and is attributed to enhanced phonon scattering due to mass fluctuations between FH and HH, and high density of HH/FH interfaces. 相似文献
133.
Olefin metathesis promoted by a well-defined metal carbene complex has evolved into an efficient method for the construction of a broad range of carbocyclic and heterocyclic rings of varying size. The synthetic potential of the olefin metathesis has been further increased by combining various other C-C bond forming processes either in tandem or in sequence. Herein, application of Claisen rearrangement and olefin metathesis to prepare various intricate and/or biologically important targets has been described. 相似文献
134.
A.K. Misra 《Applied mathematics and computation》2011,217(21):8367-8376
In this paper a non-linear mathematical model for depletion of dissolved oxygen due to algal bloom in a lake is proposed and analyzed. The model is formulated by considering four variables namely, cumulative concentration of nutrients, density of algal population, density of detritus and concentration of dissolved oxygen. In the modeling process it is assumed that nutrients are continuously coming with a constant rate to the lake through water runoff from agricultural fields and domestic drainage. The Holling type-III interaction between nutrients and algal population is considered. Equilibrium values have been obtained and their stability analysis has also been performed. Numerical simulations are carried out to explain the mathematical results. 相似文献
135.
Sparham C van Egmond R Hastie C O'Connor S Gore D Chowdhury N 《Journal of chromatography. A》2011,1218(6):817-823
Robust analytical procedures for the measurement of decamethylcyclopentasiloxane (D5) in river and estuarine sediments and their application in determining environmental concentrations in the UK are presented for the first time in this work. Novel approaches to minimise commonly reported artefacts are utilised, improving the confidence in the concentrations of D5 reported. Accelerated solvent extraction (ASE) and liquid–solid extraction methods are compared. Both methods use on-column injection gas chromatography/mass spectrometry (GC/MS). Measurements of D5 concentrations in sediments sampled from the river Great Ouse and from the Humber estuary (UK) are also reported. ASE was suitable to measure concentrations of D5 in sediments obtained from the river Great Ouse, UK (186–1450 ng g−1, dry weight) and octamethyltetracyclosiloxane (D4, 12–24 ng g−1, dry weight). C12 linear alkybenzene (C12 LAB), which can be used as a chemical marker for sewage effluent related emissions, was also measured in this analysis. Liquid–solid extraction was optimised to provide more confidence in the lower D5 concentrations measured in the Humber estuary, UK (49–256 ng g−1, dry weight). A Limit of quantitation (LOQ) for D5 of 57–110 and 4 ng g−1 dry weight was determined for ASE and liquid–solid extraction, respectively. 相似文献
136.
Erande N Gunjal AD Fernandes M Kumar VA 《Chemical communications (Cambridge, England)》2011,47(13):4007-4009
Sugar conformations in the isoDNA strand of isoDNA : RNA duplexes are preferred S-type locked/frozen in contrast to N-type locked conformations preferred in DNA : RNA duplexes. 相似文献
137.
Arvind Kumar Misra Rajanish Kumar Rai 《Mathematical Methods in the Applied Sciences》2019,42(4):1262-1282
TV and radio advertisements are widely acknowledged as important interventions in raising issues of public health care and play promising role to control the infection through propagating awareness among the individuals. In this paper, a nonlinear susceptible‐infected‐susceptible (SIS) model is proposed and analyzed to see the impacts of TV and radio advertisements on the spread of influenza epidemic. In the model formulation, it is assumed that the susceptible individuals contract infection through the direct contact with infected individuals. The information regarding the protection against the disease is propagated via TV and radio advertisements, and their growth rates are assumed to be proportional to the fraction of infected individuals. However, the growth rate of TV advertisements decreases with the increase in number of aware individuals. The information broadcasted through TV and radio advertisements induces behavioral changes among the susceptible individuals, and they form an isolated aware class. The epidemiological feasible equilibria, their stability properties, and direction of bifurcation are discussed. The expression for modified basic reproduction number is obtained. The model analysis shows that the dissemination rate of awareness among susceptible individuals due to TV and radio advertisements and baseline number of TV and radio advertisements have potential to reduce the epidemic peak and, thus, control the spread of infection. Further, the analytical findings are well supported through numerical simulation. 相似文献
138.
Mohammadamin Ezazi Qiang Ye Anil Misra Candan Tamerler Paulette Spencer 《Molecules (Basel, Switzerland)》2022,27(17)
The low-viscosity adhesive that is used to bond composite restorative materials to the tooth is readily damaged by acids, enzymes, and oral fluids. Bacteria infiltrate the resulting gaps at the composite/tooth interface, demineralize the tooth, and further erode the adhesive. This paper presents the preparation and characterization of a low-crosslink-density hydrophilic adhesive that capitalizes on sol-gel reactions and free-radical polymerization to resist hydrolysis and provide enhanced mechanical properties in wet environments. Polymerization behavior, water sorption, and leachates were investigated. Dynamic mechanical analyses (DMA) were conducted using water-saturated adhesives to mimic load transfer in wet conditions. Data from all tests were analyzed using appropriate statistical tests (α = 0.05). The degree of conversion was comparable for experimental and control adhesives at 88.3 and 84.3%, respectively. HEMA leachate was significantly lower for the experimental (2.9 wt%) compared to control (7.2 wt%). After 3 days of aqueous aging, the storage and rubbery moduli and the glass transition temperature of the experimental adhesive (57.5MPa, 12.8MPa, and 38.7 °C, respectively) were significantly higher than control (7.4MPa, 4.3 MPa, and 25.9 °C, respectively). The results indicated that the autonomic sol-gel reaction continues in the wet environment, leading to intrinsic reinforcement of the polymer network, improved hydrolytic stability, and enhanced mechanical properties. 相似文献
139.
The field equations of general relativity with electromagnetic stress tensor and zeromass scalar meson field are investigated. The metric coefficients are assumed to be functions of three variables only. It is then shown that, if one assumes a functional relation between some one of the metric coefficients and the electromagnetic potentials, that one can find a solution of the coupled Einstein-Maxwell equations in terms of a solution of the Einstein equations with zeromass scalar meson field as source. 相似文献
140.