MHD mixed convection flow near the stagnation-point on a vertical permeable surface

The steady magnetohydrodynamic (MHD) mixed convection boundary layer flow of a viscous and electrically conducting fluid near the stagnation-point on a vertical permeable surface is investigated in this study. The velocity of the external flow and the temperature of the plate surface are assumed to vary linearly with the distance from the stagnation-point. The governing partial differential equations are first transformed into ordinary differential equations, before being solved numerically by a finite-difference method. The features of the flow and heat transfer characteristics for different values of the governing parameters are analyzed and discussed. Both assisting and opposing flows are considered. It is found that dual solutions exist for both cases, and the range of the mixed convection parameter for which the solution exists increases with suction.     

Lower bounds for heights in cyclotomic extensions

We show that the height of a nonzero algebraic number α that lies in an abelian extension of the rationals and is not a root of unity must satisfy h(α)>0.155097.     

Similarity solutions for flow and heat transfer over a permeable surface with convective boundary condition

The steady laminar boundary layer flow over a permeable flat plate in a uniform free stream, with the bottom surface of the plate is heated by convection from a hot fluid is considered. Similarity solutions for the flow and thermal fields are possible if the mass transpiration rate at the surface and the convective heat transfer from the hot fluid on the lower surface of the plate vary like x^−1/2, where x is the distance from the leading edge of the solid surface. The governing partial differential equations are first transformed into ordinary differential equations, before being solved numerically. The effects of the governing parameters on the flow and thermal fields are thoroughly examined and discussed.     

Generalized Lucas polynomials and relationships between the Fibonacci polynomials and Lucas polynomials

In this article, we find elements of the Lucas polynomials by using two matrices. We extend the study to the n-step Lucas polynomials. Then the Lucas polynomials and their relationship are generalized in the paper. Furthermore, we give relationships between the Fibonacci polynomials and the Lucas polynomials.     

State of the art on flow and heat transfer performance of compact fin-and-tube heat exchangers

Journal of Thermal Analysis and Calorimetry - The need for better thermal–hydraulic performance of heat exchangers remains the primary reason for further improving the design of heat...     

Quantum mechanical/molecular mechanical studies on spectral tuning mechanisms of visual pigments and other photoactive proteins

The protein environments surrounding the retinal tune electronic absorption maximum from 350 to 630 nm. Hybrid quantum mechanical/molecular mechanical (QM/MM) methods can be used in calculating excitation energies of retinal in its native protein environments and in studying the molecular basis of spectral tuning. We hereby review recent QM/MM results on the phototransduction of bovine rhodopsin, bacteriorhodopsin, sensory rhodopsin II, nonretinal photoactive yellow protein and their mutants.     

Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies

We describe a system setup that is applicable to all species in the catalytic cycle of cytochrome P450(cam). The chosen procedure starts from the X-ray coordinates of the ferrous dioxygen complex and follows a protocol that includes the careful assignment of protonation states, comparison between different conceivable hydration schemes, and system preparation through a series of classical minimizations and molecular dynamics (MD) simulations. The resulting setup was validated by quantum mechanical/molecular mechanical (QM/MM) calculations on the resting state, the pentacoordinated ferric and ferrous complexes, Compound I, the transition state and hydroxo intermediate of the C--H hydroxylation reaction, and the product complex. The present QM/MM results are generally consistent with those obtained previously with individual setups. Concerning hydration, we find that saturating the protein interior with water is detrimental and leads to higher structural flexibility and catalytically inefficient active-site geometries. The MD simulations favor a low water density around Asp251 that facilitates side chain rotation of protonated Asp251 during the conversion of Compound 0 to Compound I. The QM/MM results for the two preferred hydration schemes (labeled SE-1 and SE-4) are similar, indicating that slight differences in the solvation close to the active site are not critical as long as camphor and the crystallographic water molecules preserve their positions in the experimental X-ray structures.     

What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediates

We have investigated C-H hydroxylation of camphor by Compound I (Cpd I) of cytochrome P450cam in different electronic states and by its one-electron reduced and oxidized forms, using QM/MM calculations in the native protein/solvent environment. Cpd I species with five unpaired electrons (pentaradicaloids) are ca. 12 kcal/mol higher in energy than the ground state Cpd I species with three unpaired electrons (triradicaloids). The H-abstraction transition states of pentaradicaloids lie ca. 21 (9) kcal/mol above the triradicaloid (pentaradicaloid) reactants. Hydroxylation via pentaradicaloids is thus facile provided that they can react before relaxing to the ground-state triradicaloids. Excited states of Cpd I with an Fe(V)-oxo moiety lie more than 20 kcal/mol above the triradicaloid ground state in single-point gas-phase calculations, but these electronic configurations are not stable upon including the point-charge protein environment which causes SCF convergence to the triradicaloid ground state. One-electron reduced species (Cpd II) show sluggish reactivity compared with Cpd I in agreement with experimental model studies. One-electron oxidized species are more reactive than Cpd I but seem too high in energy to be accessible. The barriers to hydrogen abstraction for the various forms of Cpd I are generally not affected much by the chosen protonation states of the Asp297 and His355 residues near the propionate side chains of the heme or by the appearance of radical character at Asp297, His355, or the propionates.     

MHD stagnation point flow towards a stretching sheet

The steady two-dimensional MHD stagnation point flow towards a stretching sheet with variable surface temperature is investigated. The governing system of partial differential equations are transformed into ordinary differential equations, which are then solved numerically using a finite-difference scheme known as the Keller-box method. The effects of the governing parameters on the flow field and heat transfer characteristics are obtained and discussed. It is found that the heat transfer rate at the surface increases with the magnetic parameter when the free stream velocity exceeds the stretching velocity, i.e. ε>1, and the opposite is observed when ε<1.