Abstract: With drug resistance becoming widespread in
Plasmodium falciparum infections, the development of the alternative
drugs is the desired strategy for prevention and cure of malaria. Three
drug targets were selected to screen promising drug molecules from
the GSK library of 13469 molecules. Using an in silico structure-based
drug designing approach, the differences in binding energies of
the substrate and inhibitor were exploited between target sites of
parasite and human to design a drug molecule against Plasmodium.
The docking studies have shown several promising molecules from
GSK library with more effective binding as compared to the already
known inhibitors for the drug targets. Though stronger interaction has
been shown by several molecules as compared to the reference, few
molecules have shown the potential as drug candidates though in
vitro studies are required to validate the results. In case of
thymidylate synthase-dihydrofolatereductase (TS-DHFR), three
compounds have shown promise for future studies as potential drugs.
Abstract: PLA emerged as a promising polymer because of its
property as a compostable, biodegradable thermoplastic made from
renewable sources. PLA can be polymerized from monomers
(Lactide or Lactic acid) obtained by fermentation processes from
renewable sources such as corn starch or sugarcane. For PLA
synthesis, ring opening polymerization (ROP) of Lactide monomer is
one of the preferred methods. In the literature, the technique mainly
developed for ROP of PLA is based on metal/bimetallic catalyst (Sn,
Zn and Al) or other organic catalysts in suitable solvent. However,
the PLA synthesized using such catalysts may contain trace elements
of the catalyst which may cause toxicity. This work estimated the
usefulness and drawbacks of using different catalysts as well as effect
of alternative energies and future aspects for PLA production.
Abstract: Iran has several potential for using renewable
energies, so use them could significantly contribute to energy supply.
The purpose of this paper is to identify the potential of the country
and select the appropriate DG technologies with consideration the
potential and primary energy resources in the regions. In this context,
hybrid energy systems proportionate with the potential of different
regions will be determined based on technical, economic, and
environmental aspect. In the following the proposed structure will be
optimized in terms of size and cost. DG technologies used in this
project include photovoltaic system, wind turbine, diesel generator
and battery bank. The HOMER software is applied for choosing the
appropriate structure and the optimization of system sizing. The
results have been analyzed in terms of technical and economic. The
performance and the cost of each project demonstrate the appropriate
structure of hybrid energy system in that region.
Abstract: Negative pressure phenomenon appears in many
thermodynamic, geophysical and biophysical processes in the Nature
and technological systems. For more than 100 years of the laboratory
researches beginning from F. M. Donny’s tests, the great values of
negative pressure have been achieved. But this phenomenon has not
been practically applied, being only a nice lab toy due to the special
demands for the purity and homogeneity of the liquids for its
appearance. The possibility of creation of direct wave of negative
pressure in real heterogeneous liquid systems was confirmed
experimentally under the certain kinetic and hydraulic conditions.
The negative pressure can be considered as the factor of both useful
and destroying energies. The new approach to generation of the
negative pressure waves in impure, unclean fluids has allowed the
creation of principally new energy saving technologies and
installations to increase the effectiveness and efficiency of different
production processes. It was proved that the negative pressure is one
of the main factors causing hard troubles in some technological and
natural processes. Received results emphasize the necessity to take
into account the role of the negative pressure as an energy factor in
evaluation of many transient thermohydrodynamic processes in the
Nature and production systems.
Abstract: Batteries of electric vehicles (BEV) are becoming
more attractive with the advancement of new battery technologies
and promotion of electric vehicles. BEV batteries are recharged on
board vehicles using either the grid (G2V for Grid to Vehicle) or
renewable energies in a stand-alone application (H2V for Home to
Vehicle). This paper deals with the modeling, sizing and control of a
photovoltaic stand-alone application that can charge the BEV at
home. The modeling approach and developed mathematical models
describing the system components are detailed. Simulation and
experimental results are presented and commented.
Abstract: This paper presents nonlinear pulse propagation characteristics for different input optical pulse shapes with various input pulse energy levels in semiconductor optical amplifiers. For simulation of nonlinear pulse propagation, finite-difference beam propagation method is used to solve the nonlinear Schrödinger equation. In this equation, gain spectrum dynamics, gain saturation are taken into account which depends on carrier depletion, carrier heating, spectral-hole burning, group velocity dispersion, self-phase modulation and two photon absorption. From this analysis, we obtained the output waveforms and spectra for different input pulse shapes as well as for different input energies. It shows clearly that the peak position of the output waveforms are shifted toward the leading edge which due to the gain saturation of the SOA for higher input pulse energies. We also analyzed and compared the normalized difference of full-width at half maximum for different input pulse shapes in the SOA.
Abstract: In this paper, a coupled damage effect in the
instability of a composite rotor is presented, under dynamic loading
response in the harmonic analysis condition. The analysis of the
stress which operates the rotor is done. Calculations of different
energies and the virtual work of the aerodynamic loads from the rotor
blade are developed. The use of the composite material for the rotor
offers a good stability.
Numerical calculations on the model developed prove that the
damage effect has a negative effect on the stability of the rotor.
The study of the composite rotor in transient system allowed
determining the vibratory responses due to various excitations.
Abstract: Violet Sr–Al–O:Eu2+ phosphor particles were
synthesized from a metal–ethylenediaminetetraacetic acid (EDTA)
solution of Sr, Al, Eu, and particulate alumina via spray drying and
sintering in a reducing atmosphere. The crystal structures and emission
properties at 85–300 K were investigated. The composition of the
violet Sr–Al–O:Eu2+ phosphor particles was determined from various
Sr–Al–O:Eu2+ phosphors by their emission properties’ dependence
on temperature. The highly crystalline SrAl12O19:Eu2+ emission phases
were confirmed by their crystallite sizes and the activation energies for
the 4f5d–8S7/2 transition of the Eu2+ ion. These results showed that the
material identification for the violet Sr–Al–O:Eu2+ phosphor was
accomplished by the low-temperature luminescence measurements.
Abstract: The fight against climate change and the replacement
of fossil energies nearing exhaustion gradually emerge as major
societal and economic challenges. It is possible to develop common
dates of low commercial value, and put on the local and international
market a new generation of products with high added values such as
bio ethanol. Besides its use in chemical synthesis, bio ethanol can be
blended with gasoline to produce a clean fuel while improving the
octane.
Abstract: The main aim of the current work is to examine if 14N
is candidate to be clusterized nuclei or not. In order to check this
attendance, we have measured the angular distributions for 14N ion
beam elastically scattered on 12C target nuclei at different low
energies; 17.5, 21, and 24.5MeV which are close to the Coulomb
barrier energy for 14N+12C nuclear system. Study of various transfer
reactions could provide us with useful information about the
attendance of nuclei to be in a composite form (core + valence). The
experimental data were analyzed using two approaches;
Phenomenological (Optical Potential) and semi-microscopic (Double
Folding Potential). The agreement between the experimental data and
the theoretical predictions is fairly good in the whole angular range.
Abstract: Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies,
which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.
Abstract: A proper house is a suitable residential area which provides comfort, proper accessibility, security, stability and permanence of structure, enough lighting, proper initial infrastructures and ventilation for its inhabitants and the most important of all, it should be proportional to the family’s financial power .
Saving energy and making optimal usage of it and also taking advantage of stable energies are the bases of green buildings. Making green building will help the health of a person living in it and in its surrounding. It will support the people and provoke their satisfaction. Not only it will bring about the raise of level of the quality of life for building inhabitants, but it will cause the promotion of quality level of life of the people living in the surrounding area and in general the society.
Abstract: There are various sources of energies available
worldwide and among them, crude oil plays a vital role. Oil recovery
is achieved using conventional primary and secondary recovery
methods. In-order to recover the remaining residual oil, technologies
like Enhanced Oil Recovery (EOR) are utilized which is also known
as tertiary recovery. Among EOR, Microbial enhanced oil recovery
(MEOR) is a technique which enables the improvement of oil
recovery by injection of bio-surfactant produced by microorganisms.
Bio-surfactant can retrieve unrecoverable oil from the cap rock which
is held by high capillary force. Bio-surfactant is a surface active agent
which can reduce the interfacial tension and reduce viscosity of oil
and thereby oil can be recovered to the surface as the mobility of the
oil is increased. Research in this area has shown promising results
besides the method is echo-friendly and cost effective compared with
other EOR techniques. In our research, on laboratory scale we
produced bio-surfactant using the strain Pseudomonas putida (MTCC
2467) and injected into designed simple sand packed column which
resembles actual petroleum reservoir. The experiment was conducted
in order to determine the efficiency of produced bio-surfactant in oil
recovery. The column was made of plastic material with 10 cm in
length. The diameter was 2.5 cm. The column was packed with fine
sand material. Sand was saturated with brine initially followed by oil
saturation. Water flooding followed by bio-surfactant injection was
done to determine the amount of oil recovered. Further, the injection
of bio-surfactant volume was varied and checked how effectively oil
recovery can be achieved. A comparative study was also done by
injecting Triton X 100 which is one of the chemical surfactant. Since,
bio-surfactant reduced surface and interfacial tension oil can be easily
recovered from the porous sand packed column.
Abstract: Equivalent fields are frequently used for central axis depth-dose calculations of rectangular and irregular shaped photon beam. Since most of the proposed models to calculate the equivalent square field, are dosimetry-based, a simple physical-based method to calculate the equivalent square field size was used as the basis of this study. The table of the sides of the equivalent square for rectangular fields was constructed and then compared with the well-known tables of BJR and Venselaar with the average relative error percentage of 2.5±2.5 % and 1.5±1.5 % respectively. To evaluate the accuracy of this method, the PDDs were measured for some special irregular symmetric and asymmetric treatment fields and their equivalent squares for Siemens Primus Plus linear accelerator for both energies 6 and 18MV. The mean relative differences of PDDs measurement for these fields and their equivalent square was approximately 1% or less. As a result, this method can be employed to calculate equivalent field not only for rectangular fields but also for any irregular symmetric or asymmetric field.
Abstract: Nowadays, in most radiotherapy departments, the commercial treatment planning systems (TPS) used to calculate dose distributions needs to be verified; therefore, quick, easy-to-use and low cost dose distribution algorithms are desirable to test and verify the performance of the TPS. In this paper, we put forth an analytical method to calculate the phantom scatter contribution and depth dose on the central axis based on the equivalent square concept. Then, this method was generalized to calculate the profiles at any depth and for several field shapes regular or irregular fields under symmetry and asymmetry photon beam conditions. Varian 2100 C/D and Siemens Primus Plus Linacs with 6 and 18 MV photon beam were used for irradiations. Percentage depth doses (PDDs) were measured for a large number of square fields for both energies, and for 45º wedges which were employed to obtain the profiles in any depth. To assess the accuracy of the calculated profiles, several profile measurements were carried out for some treatment fields. The calculated and measured profiles were compared by gamma-index calculation. All γ–index calculations were based on a 3% dose criterion and a 3 mm dose-to-agreement (DTA) acceptance criterion. The γ values were less than 1 at most points. However, the maximum γ observed was about 1.10 in the penumbra region in most fields and in the central area for the asymmetric fields. This analytical approach provides a generally quick and fairly accurate algorithm to calculate dose distribution for some treatment fields in conventional radiotherapy.
Abstract: The success of renewable powered electric vehicle
charging station in isolated areas depends highly on the availability
and sustainability of renewable resources all year round at a selected
location. The main focus of this paper is to discuss the possible
charging strategies that could be implemented to find the best
possible configuration of an electric Tuk-Tuk charging station at a
given location within South Africa. The charging station is designed,
modeled and simulated to evaluate its performances. The technoeconomic
analysis of different feasible supply configurations of the
charging station using renewable energies is simulated using
HOMER software and the results compared in order to select the best
possible charging strategies in terms of cost of energy consumed.
Abstract: A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.
Abstract: Using ab initio theoretical calculations, we present
analysis of fragmentation process. The analysis is performed in two
steps. The first step is calculation of fragmentation energies by ab
initio calculations. The second step is application of the energies to
kinetic description of process. The energies of fragments are
presented in this paper. The kinetics of fragmentation process can be
described by numerical models. The method for kinetic analysis is
described in this paper. The result - composition of fragmentation
products - will be calculated in future. The results from model can be
compared to the concentrations of fragments from mass spectrum.
Abstract: Adenylate kinase (AK) catalyse the phosphotransferase
reaction plays an important role in cellular energy homeostasis. The
inhibitors of bacterial AK are useful in the treatment of several
bacterial infections. To the novel inhibitors of AK, docking studies
performed by using the 3D structure of Bacillus stearothermophilus
adenylate kinase from protein data bank (IZIP). 46 Quinoxaline
analogues were docked in 1ZIP and selected the highly interacting
compounds based on their binding energies, for further studies
Abstract: the aim of that work is to study the proton transfer
phenomenon which takes place in the elastic scattering of 12C on 11B
at energies near the coulomb barrier. This reaction was studied at four
different energies 16, 18, 22, 24 MeV. The experimental data of the
angular distribution at these energies were compared to the
calculation prediction using the optical potential codes such as
ECIS88 and SPIVAL. For the raising in the cross section at backward
angles due to the transfer process we could use Distorted Wave Born
Approximation (DWUCK5). Our analysis showed that SPIVAL code
with l-dependent imaginary potential could be used effectively.