Abstract: The worldwide prevalence of H3N2 influenza virus
and its increasing resistance to the existing drugs necessitates for the
development of an improved/better targeting anti-influenza drug.
H3N2 influenza neuraminidase is one of the two membrane-bound
proteins belonging to group-2 neuraminidases. It acts as key player
involved in viral pathogenicity and hence, is an important target of
anti-influenza drugs. Oseltamivir is one of the potent drugs targeting
this neuraminidase. In the present work, we have taken subtype N2
neuraminidase as the receptor and probable analogs of oseltamivir as
drug molecules to study the protein-drug interaction in anticipation of
finding efficient modified candidate compound. Oseltamivir analogs
were made by modifying the functional groups using Marvin Sketch
software and were docked using Schrodinger-s Glide. Oseltamivir
analog 10 was detected to have significant energy value (16% less
compared to Oseltamivir) and could be the probable lead molecule. It
infers that some of the modified compounds can interact in a novel
manner with increased hydrogen bonding at the active site of
neuraminidase and it might be better than the original drug. Further
work can be carried out such as enzymatic inhibition studies;
synthesis and crystallizing the drug-target complex to analyze the
interactions biologically.
Abstract: Two-dimensional heat conduction within a composed solid material with a constant internal heat generation has been investigated numerically in a sector of the rotor a generator. The heat transfer between two adjacent materials is assumed to be purely conduction. Boundary conditions are assumed to be forced convection on the fluid side and adiabatic on symmetry lines. The control volume method is applied for the diffusion energy equation. Physical coordinates are transformed to the general curvilinear coordinates. Then by using a line-by-line method, the temperature distribution in a sector of the rotor has been determined. Finally, the results are normalized and the effect of cooling fluid on the maximum temperature of insulation is investigated.
Abstract: In order to obtaining the dynamic evolution image of Tungsten array for foam padding, and to research the form of interaction between Tungsten plasma and foam column, a shadow imaging system of four-frame ultraviolet probe laser (266nm)has been designed on 1MA pulse power device. The time resolution of the system is 2.5ns, and static space resolution is superior to 70μm. The radial shadowgraphy image reveals the whole process from the melting and expansion of solid wire to the interaction of the precursor plasma and the foam, from the pinch to rebound inflation. The image shows the continuous interaction of Tungsten plasma and foam in a form of “Raining" within a time of about 50ns, the plasma shell structure has not been found in the whole period of pinch. The quantitative analysis indicates the minimum pinching speed of the foam column is 1.0×106cm/s, and maximum pinching speed is 6.0×106cm/s, and the axial stagnation diameter is approx 1mm.
Abstract: Aim. We have introduced the notion of order to multinormed spaces and countable union spaces and their duals. The topology of bounded convergence is assigned to the dual spaces. The aim of this paper is to develop the theory of ordered topological linear
spaces La,b, L(w, z), the dual spaces of ordered multinormed spaces
La,b, ordered countable union spaces L(w, z), with the topology of bounded convergence assigned to the dual spaces. We apply Laplace transformation to the ordered linear space of Laplace transformable
generalized functions. We ultimately aim at finding solutions to nonhomogeneous
nth order linear differential equations with constant
coefficients in terms of generalized functions and comparing different
solutions evolved out of different initial conditions.
Method. The above aim is achieved by
• Defining the spaces La,b, L(w, z).
• Assigning an order relation on these spaces by identifying a
positive cone on them and studying the properties of the cone.
• Defining an order relation on the dual spaces La,b, L(w, z) of La,b, L(w, z) and assigning a topology to these dual spaces which makes the order dual and the topological dual the same. • Defining the adjoint of a continuous map on these spaces
and studying its behaviour when the topology of bounded
convergence is assigned to the dual spaces.
• Applying the two-sided Laplace Transformation on the ordered
linear space of generalized functions W and studying some
properties of the transformation which are used in solving
differential equations.
Result. The above techniques are applied to solve non-homogeneous
n-th order linear differential equations with constant coefficients in
terms of generalized functions and to compare different solutions of the differential equation.
Abstract: In this research, a 2-D computational analysis of
steady state free convection in a rectangular enclosure filled with an
electrically conducting fluid under Effect of Magnetic Field has been
performed. The governing equations (mass, momentum, and energy)
are formulated and solved by a finite volume method (FVM)
subjected to different boundary conditions. A parametric study has
been conducted to consider the influence of Grashof number (Gr),
Prantdl number (Pr) and the orientation of magnetic field on the flow
and heat transfer characteristics. It is observed that Nusselt number
(Nu) and heat flux will increase with increasing Grashof and Prandtl
numbers and decreasing the slope of the orientation of magnetic field.
Abstract: Cardiac pulse-related artifacts in the EEG recorded
simultaneously with fMRI are complex and highly variable. Their
effective removal is an unsolved problem. Our aim is to develop an
adaptive removal algorithm based on the matching pursuit (MP)
technique and to compare it to established methods using a visual
evoked potential (VEP). We recorded the VEP inside the static
magnetic field of an MR scanner (with artifacts) as well as in an
electrically shielded room (artifact free). The MP-based artifact
removal outperformed average artifact subtraction (AAS) and
optimal basis set removal (OBS) in terms of restoring the EEG field
map topography of the VEP. Subsequently, a dipole model was fitted
to the VEP under each condition using a realistic boundary element
head model. The source location of the VEP recorded inside the MR
scanner was closest to that of the artifact free VEP after cleaning
with the MP-based algorithm as well as with AAS. While none of the
tested algorithms offered complete removal, MP showed promising
results due to its ability to adapt to variations of latency, frequency
and amplitude of individual artifact occurrences while still utilizing a
common template.
Abstract: In this work, we present a reliable framework to solve boundary value problems with particular significance in solid mechanics. These problems are used as mathematical models in deformation of beams. The algorithm rests mainly on a relatively new technique, the Variational Iteration Method. Some examples are given to confirm the efficiency and the accuracy of the method.
Abstract: The steady mixed convection boundary layer flow from
a vertical cone in a porous medium filled with a nanofluid is
numerically investigated using different types of nanoparticles as Cu
(copper), Al2O3 (alumina) and TiO2 (titania). The boundary value
problem is solved by using the shooting technique by reducing it
into an ordinary differential equation. Results of interest for the local
Nusselt number with various values of the constant mixed convection
parameter and nanoparticle volume fraction parameter are evaluated.
It is found that dual solutions exist for a certain range of mixed
convection parameter.
Abstract: A numerical analysis used to simulate the effects of wavy surfaces and thermal radiation on natural convection heat transfer boundary layer flow over an inclined wavy plate has been investigated. A simple coordinate transformation is employed to transform the complex wavy surface into a flat plate. The boundary layer equations and the boundary conditions are discretized by the finite difference scheme and solved numerically using the Gauss-Seidel algorithm with relaxation coefficient. Effects of the wavy geometry, the inclination angle of the wavy plate and the thermal radiation on the velocity profiles, temperature profiles and the local Nusselt number are presented and discussed in detail.
Abstract: In this paper, we investigate the solution of a two dimensional parabolic free boundary problem. The free boundary of this problem is modelled as a nonlinear integral equation (IE). For this integral equation, we propose an asymptotic solution as time is near to maturity and develop an integral iterative method. The computational results reveal that our asymptotic solution is very close to the numerical solution as time is near to maturity.
Abstract: A simple model for studying convectional lifting
processes in the tropics is described in this paper with some tests of
the model in dry air. The model consists of the density equation, the
wind equation, the vertical velocity equation, and the temperature
equation. The model domain is two-dimensional with length 100 km
and height 17.5 km. Plan for experiments to investigate the effects of
the heating surface, the deep convection approximation and the
treatment of velocities at the boundaries are discussed. Equations for
the simplified treatment of moisture in the atmosphere in future
numerical experiments are also given.
Abstract: Natural convection heat transfer from a heated
horizontal semi-circular cylinder (flat surface upward) has been
investigated for the following ranges of conditions; Grashof number,
and Prandtl number. The governing partial differential equations
(continuity, Navier-Stokes and energy equations) have been solved
numerically using a finite volume formulation. In addition, the role of
the type of the thermal boundary condition imposed at cylinder
surface, namely, constant wall temperature (CWT) and constant heat
flux (CHF) are explored. Natural convection heat transfer from a
heated horizontal semi-circular cylinder (flat surface upward) has
been investigated for the following ranges of conditions; Grashof
number, and Prandtl number, . The governing partial differential
equations (continuity, Navier-Stokes and energy equations) have
been solved numerically using a finite volume formulation. In
addition, the role of the type of the thermal boundary condition
imposed at cylinder surface, namely, constant wall temperature
(CWT) and constant heat flux (CHF) are explored. The resulting flow
and temperature fields are visualized in terms of the streamline and
isotherm patterns in the proximity of the cylinder. The flow remains
attached to the cylinder surface over the range of conditions spanned
here except that for and ; at these conditions, a separated flow
region is observed when the condition of the constant wall
temperature is prescribed on the surface of the cylinder. The heat
transfer characteristics are analyzed in terms of the local and average
Nusselt numbers. The maximum value of the local Nusselt number
always occurs at the corner points whereas it is found to be minimum
at the rear stagnation point on the flat surface. Overall, the average
Nusselt number increases with Grashof number and/ or Prandtl
number in accordance with the scaling considerations. The numerical
results are used to develop simple correlations as functions of
Grashof and Prandtl number thereby enabling the interpolation of the
present numerical results for the intermediate values of the Prandtl or
Grashof numbers for both thermal boundary conditions.
Abstract: in this work, we present a new strategy of direct adaptive control denoted: Extended minimal controller synthesis (EMCS). This algorithm is designed for an induction motor, which includes both electrical and mechanical dynamics under the assumptions of linear magnetic circuits. The main motivation of the EMCS control is to enhance the robustness of the MRAC algorithms, i.e. the rejection of bounded effects of rapidly varying external disturbances.
Abstract: The construction of a civil structure inside a urban
area inevitably modifies the outdoor microclimate at the building
site. Wind speed, wind direction, air pollution, driving rain, radiation
and daylight are some of the main physical aspects that are subjected
to the major changes. The quantitative amount of these modifications
depends on the shape, size and orientation of the building and on its
interaction with the surrounding environment.The flow field over a
flat roof model building has been numerically investigated in order to
determine two-dimensional CFD guidelines for the calculation of the
turbulent flow over a structure immersed in an atmospheric boundary
layer. To this purpose, a complete validation campaign has been
performed through a systematic comparison of numerical simulations
with wind tunnel experimental data.Several turbulence models and
spatial node distributions have been tested for five different vertical
positions, respectively from the upstream leading edge to the
downstream bottom edge of the analyzed model. Flow field
characteristics in the neighborhood of the building model have been
numerically investigated, allowing a quantification of the capabilities
of the CFD code to predict the flow separation and the extension of
the recirculation regions.The proposed calculations have allowed the
development of a preliminary procedure to be used as a guidance in
selecting the appropriate grid configuration and corresponding
turbulence model for the prediction of the flow field over a twodimensional
roof architecture dominated by flow separation.
Abstract: In this paper, stabilization of an Active Magnetic Bearing (AMB) system with varying rotor speed using Sliding Mode Control (SMC) technique is considered. The gyroscopic effect inherited in the system is proportional to rotor speed in which this nonlinearity effect causes high system instability as the rotor speed increases. Also, transformation of the AMB dynamic model into a new class of uncertain system shows that this gyroscopic effect lies in the mismatched part of the system matrix. Moreover, the current gain parameter is allowed to be varied in a known bound as an uncertainty in the input matrix. SMC design method is proposed in which the sufficient condition that guarantees the global exponential stability of the reduced-order system is represented in Linear Matrix Inequality (LMI). Then, a new chattering-free control law is established such that the system states are driven to reach the switching surface and stay on it thereafter. The performance of the controller applied to the AMB model is demonstrated through simulation works under various system conditions.
Abstract: Some fast exact algorithms for the maximum weight clique problem have been proposed. Östergard’s algorithm is one of them. Kumlander says his algorithm is faster than it. But we confirmed that the straightforwardly implemented Kumlander’s algorithm is slower than O¨ sterga˚rd’s algorithm. We propose some improvements on Kumlander’s algorithm.
Abstract: Dynamic shear test on simulated phantom can be used
to validate magnetic resonance elastography (MRE) measurements.
Phantom gel has been usually utilized for the cell culture of cartilage
and soft tissue and also been used for mechanical property
characterization using imaging systems. The viscoelastic property of
the phantom would be important for dynamic experiments and
analyses. In this study, An axisymmetric FE model is presented for
determining the dynamic shear behaviour of brain simulated phantom
using ABAQUS. The main objective of this study was to investigate
the effect of excitation frequencies and boundary conditions on shear
modulus and shear viscosity in viscoelastic media.
Abstract: In the present paper the results of a numerical study are presented, numerical models were developed to simulate the behaviour of vertical massive dikes. The proposed models were developed according to the geometry, boundary conditions, loading conditions and initial conditions of a physical model taken as reference. The results obtained were compared to the experimental data. As far as the overall behaviour, the displacements and the failure mechanisms of the dikes is concerned, the numerical results were in good agreement with the experimental results, which clearly indicates a good quality of numerical modelling. The validated numerical models were used in a parametric study were the displacements and failure mechanisms were fully investigated. Out of the results obtained, some conclusions and recommendations related to the design of massive dikes are proposed.
Abstract: The group invariant solution for Prandtl-s boundary layer equations for an incompressible fluid governing the flow in radial free, wall and liquid jets having finite fluid velocity at the orifice are investigated. For each jet a symmetry is associated with the conserved vector that was used to derive the conserved quantity for the jet elsewhere. This symmetry is then used to construct the group invariant solution for the third-order partial differential equation for the stream function. The general form of the group invariant solution for radial jet flows is derived. The general form of group invariant solution and the general form of the similarity solution which was obtained elsewhere are the same.
Abstract: Investigations of the unimolecular decomposition of
vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl
ether (VBE) have shown that activation of the molecule of a ether
results in formation of a cyclic construction - the transition state (TS),
which may lead to the displacement of the thermodynamic
equilibrium towards the reaction products. The TS is obtained by
applying energy minimization relative to the ground state of an ether
under the program MM2 when taking into account the hydrogen bond
formation between a hydrogen atom of alkyl residue and the extreme
atom of carbon of the vinyl group. The dissociation of TS up to the
products is studied by energy minimization procedure using the
mathematical program Gaussian. The obtained calculation data for
VEE testify that the decomposition of this ether may be conditioned
by hydrogen bond formation for two possible versions: when α- or β-
hydrogen atoms of the ethyl group are bound to carbon atom of the
vinyl group. Applying the same calculation methods to other ethers
(VPE and VBE) it is shown that only in the case of hydrogen bonding
between α-hydrogen atom of the alkyl residue and the extreme atom
of carbon of the vinyl group (αH---C) results in decay of theses
ethers.