Search results for: quantum photonics
62 Chlorophyll Fluorescence as Criterion for the Diagnosis Salt Stress in Wheat (Triticum aestivum) Plants
Authors: M. Abdeshahian, M. Nabipour, M. Meskarbashee
Abstract:
To investigate effect of salt stress on Chlorophyll fluorescence four cultivars (fong,star,chamran and kharchia) of wheat (Triticum aestivum) plants subjected to salinity levels ( control,8,12 and 16 dsm-1 ) from one week after emergence to the end of stem elongation under greenhouse condition . results showed that quantum yield of photosystem II from light adopted leaves (ΦPSII), Photochemical quenching (qP) ,quantum yield of dark adopted leaves (fv/fm) and non photochemical quenching (NPq) were affected by salt stress . Salinity levels affected photosynthetic rate. Star and fong cultivars showed minimum and maximum levels of photosynthetic rate in respectively. Minimum photosynthetic rate differences between levels of salinity were shown in Kharchia. Shoot dry matter of all cultivars decreased by increasing salinity levels. Results showed that non photochemical quenching by salinity levels attribute to the decreases in shoot dry matter.Keywords: salt stress, wheat, chlorophyll fluorescence, photosynthesis , shoot dry matter .
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 246661 Isospectral Hulthén Potential
Authors: Anil Kumar
Abstract:
Supersymmetric Quantum Mechanics is an interesting framework to analyze nonrelativistic quantal problems. Using these techniques, we construct a family of strictly isospectral Hulth´en potentials. Isospectral wave functions are generated and plotted for different values of the deformation parameter.
Keywords: Hulth´en potential, Isospectral Hamiltonian.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 351160 Residual Dipolar Couplings in NMR Spectroscopy Using Lanthanide Tags
Authors: Elias Akoury
Abstract:
Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable technique used in structure determination of small and macromolecules to study their physical properties, elucidation of characteristic interactions, dynamics and thermodynamic processes. Quantum mechanics defines the theoretical description of NMR spectroscopy and treatment of the dynamics of nuclear spin systems. The phenomenon of residual dipolar coupling (RDCs) has become a routine tool for accurate structure determination by providing global orientation information of magnetic dipole-dipole interaction vectors within a common reference frame. This offers accessibility of distance-independent angular information and insights to local relaxation. The measurement of RDCs requires an anisotropic orientation medium for the molecules to partially align along the magnetic field. This can be achieved by introduction of liquid crystals or attaching a paramagnetic center. Although anisotropic paramagnetic tags continue to mark achievements in the biomolecular NMR of large proteins, its application in small organic molecules remains unspread. Here, we propose a strategy for the synthesis of a lanthanide tag and the measurement of RDCs in organic molecules using paramagnetic lanthanide complexes.
Keywords: Lanthanide Tags, NMR spectroscopy, residual dipolar coupling, quantum mechanics of spin dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 97559 Design Optimization for Efficient Erbium-Doped Fiber Amplifiers
Authors: Parekhan M. Aljaff, Banaz O. Rasheed
Abstract:
The exact gain shape profile of erbium doped fiber amplifiers (EDFA`s) are depends on fiber length and Er3 ion densities. This paper optimized several of erbium doped fiber parameters to obtain high performance characteristic at pump wavelengths of λp= 980 nm and λs= 1550 nm for three different pump powers. The maximum gain obtained for pump powers (10, 30 and 50mw) is nearly (19, 30 and 33 dB) at optimizations. The required numerical aperture NA to obtain maximum gain becomes less when pump power increased. The amplifier gain is increase when Er+3doped near the center of the fiber core. The simulation has been done by using optisystem 5.0 software (CAD for Photonics, a license product of a Canadian based company) at 2.5 Gbps.Keywords: EDFA, Erbium Doped Fiber, optimization OpticalAmplifiers.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 347858 Localized and Time-Resolved Velocity Measurements of Pulsatile Flow in a Rectangular Channel
Authors: R. Blythman, N. Jeffers, T. Persoons, D. B. Murray
Abstract:
The exploitation of flow pulsation in micro- and mini-channels is a potentially useful technique for enhancing cooling of high-end photonics and electronics systems. It is thought that pulsation alters the thickness of the hydrodynamic and thermal boundary layers, and hence affects the overall thermal resistance of the heat sink. Although the fluid mechanics and heat transfer are inextricably linked, it can be useful to decouple the parameters to better understand the mechanisms underlying any heat transfer enhancement. Using two-dimensional, two-component particle image velocimetry, the current work intends to characterize the heat transfer mechanisms in pulsating flow with a mean Reynolds number of 48 by experimentally quantifying the hydrodynamics of a generic liquid-cooled channel geometry. Flows circulated through the test section by a gear pump are modulated using a controller to achieve sinusoidal flow pulsations with Womersley numbers of 7.45 and 2.36 and an amplitude ratio of 0.75. It is found that the transient characteristics of the measured velocity profiles are dependent on the speed of oscillation, in accordance with the analytical solution for flow in a rectangular channel. A large velocity overshoot is observed close to the wall at high frequencies, resulting from the interaction of near-wall viscous stresses and inertial effects of the main fluid body. The steep velocity gradients at the wall are indicative of augmented heat transfer, although the local flow reversal may reduce the upstream temperature difference in heat transfer applications. While unsteady effects remain evident at the lower frequency, the annular effect subsides and retreats from the wall. The shear rate at the wall is increased during the accelerating half-cycle and decreased during deceleration compared to steady flow, suggesting that the flow may experience both enhanced and diminished heat transfer during a single period. Hence, the thickness of the hydrodynamic boundary layer is reduced for positively moving flow during one half of the pulsation cycle at the investigated frequencies. It is expected that the size of the thermal boundary layer is similarly reduced during the cycle, leading to intervals of heat transfer enhancement.Keywords: Heat transfer enhancement, particle image velocimetry, localized and time-resolved velocity, photonics and electronics cooling, pulsating flow, Richardson’s annular effect.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 229557 Broad-Band Chiral Reflectors based on Nano-Structured Biological Materials
Authors: D.J. Brink, N.G. van der Berg, L.C. Prinsloo, A. Botha
Abstract:
In this work we study the reflection of circularly polarised light from a nano-structured biological material found in the exocuticle of scarabus beetles. This material is made of a stack of ultra-thin (~5 nm) uniaxial layers arranged in a left-handed helicoidal stack, which resonantly reflects circularly polarized light. A chirp in the layer thickness combined with a finite absorption coefficient produce a broad smooth reflectance spectrum. By comparing model calculations and electron microscopy with measured spectra we can explain our observations and quantify most relevant structural parameters.Keywords: Chiral reflectors, circularly polarised light, helicoidal structures, nano photonics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 108856 Study of Encapsulation of Quantum Dots in Polystyrene and Poly (E-Caprolactone)Microreactors Prepared by Microvolcanic Eruption of Freeze Dried Microspheres
Authors: Deepak Kukkar, Inderpreet Kaur, Jagtar Singh, Lalit M Bharadwaj
Abstract:
Polymeric microreactors have emerged as a new generation of carriers that hold tremendous promise in the areas of cancer therapy, controlled delivery of drugs, for removal of pollutants etc. Present work reports a simple and convenient methodology for synthesis of polystyrene and poly caprolactone microreactors. An aqueous suspension of carboxylated (1μm) polystyrene latex particles was mixed with toluene solution followed by freezing with liquid nitrogen. Freezed particles were incubated at -20°C and characterized for formation of voids on the surface of polymer microspheres by Field Emission Scanning Electron Microscope. The hollow particles were then overnight incubated at 40ºC with unfunctionalized quantum dots (QDs) in 5:1 ratio. QDs Encapsulated polystyrene microcapsules were characterized by fluorescence microscopy. Likewise Poly ε-caprolactone microreactors were prepared by micro-volcanic rupture of freeze dried microspheres synthesized using emulsification of polymer with aqueous Poly vinyl alcohol and freezed with liquid nitrogen. Microreactors were examined with Field Emission Scanning Electron Microscope for size and morphology. Current study is an attempt to create hollow polymer particles which can be employed for microencapsulation of nanoparticles and drug molecules.Keywords: FE-SEM, Microreactors, Microvolcanic rupture, Poly (ε-caprolactone), Polystyrene
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 234955 Engineering Photodynamic with Radioactive Therapeutic Systems for Sustainable Molecular Polarity: Autopoiesis Systems
Authors: Moustafa Osman Mohammed
Abstract:
This paper introduces Luhmann’s autopoietic social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. A specific type of autopoietic system is explained in the three existing groups of the ecological phenomena: interaction, social and medical sciences. This hypothesis model, nevertheless, has a nonlinear interaction with its natural environment ‘interactional cycle’ for the exchange of photon energy with molecular without any changes in topology. The external forces in the systems environment might be concomitant with the natural fluctuations’ influence (e.g. radioactive radiation, electromagnetic waves). The cantilever sensor deploys insights to the future chip processor for prevention of social metabolic systems. Thus, the circuits with resonant electric and optical properties are prototyped on board as an intra–chip inter–chip transmission for producing electromagnetic energy approximately ranges from 1.7 mA at 3.3 V to service the detection in locomotion with the least significant power losses. Nowadays, therapeutic systems are assimilated materials from embryonic stem cells to aggregate multiple functions of the vessels nature de-cellular structure for replenishment. While, the interior actuators deploy base-pair complementarity of nucleotides for the symmetric arrangement in particular bacterial nanonetworks of the sequence cycle creating double-stranded DNA strings. The DNA strands must be sequenced, assembled, and decoded in order to reconstruct the original source reliably. The design of exterior actuators have the ability in sensing different variations in the corresponding patterns regarding beat-to-beat heart rate variability (HRV) for spatial autocorrelation of molecular communication, which consists of human electromagnetic, piezoelectric, electrostatic and electrothermal energy to monitor and transfer the dynamic changes of all the cantilevers simultaneously in real-time workspace with high precision. A prototype-enabled dynamic energy sensor has been investigated in the laboratory for inclusion of nanoscale devices in the architecture with a fuzzy logic control for detection of thermal and electrostatic changes with optoelectronic devices to interpret uncertainty associated with signal interference. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other and forms its unique spatial structure modules for providing the environment mutual contribution in the investigation of mass temperature changes due to pathogenic archival architecture of clusters.
Keywords: Autopoiesis, quantum photonics, portable energy, photonic structure, photodynamic therapeutic system.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 85754 Frequency-Dependent and Full Range Tunable Phase Shifter
Authors: Yufu Yin, Tao Lin, Shanghong Zhao, Zihang Zhu, Xuan Li, Wei Jiang, Qiurong Zheng, Hui Wang
Abstract:
In this paper, a frequency-dependent and tunable phase shifter is proposed and numerically analyzed. The key devices are the dual-polarization binary phase shift keying modulator (DP-BPSK) and the fiber Bragg grating (FBG). The phase-frequency response of the FBG is employed to determine the frequency-dependent phase shift. The simulation results show that a linear phase shift of the recovered output microwave signal which depends on the frequency of the input RF signal is achieved. In addition, by adjusting the power of the RF signal, the full range phase shift from 0° to 360° can be realized. This structure shows the spurious free dynamic range (SFDR) of 70.90 dB·Hz2/3 and 72.11 dB·Hz2/3 under different RF powers.
Keywords: Microwave photonics, phase shifter, spurious free dynamic range, frequency-dependent.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 105653 Reversible Binary Arithmetic for Integrated Circuit Design
Authors: D. Krishnaveni, M. Geetha Priya
Abstract:
Application of reversible logic in integrated circuits results in the improved optimization of power consumption. This technology can be put into use in a variety of low power applications such as quantum computing, optical computing, nano-technology, and Complementary Metal Oxide Semiconductor (CMOS) Very Large Scale Integrated (VLSI) design etc. Logic gates are the basic building blocks in the design of any logic network and thus integrated circuits. In this paper, reversible Dual Key Gate (DKG) and Dual key Gate Pair (DKGP) gates that work singly as full adder/full subtractor are used to realize the basic building blocks of logic circuits. Reversible full adder/subtractor and parallel adder/ subtractor are designed using other reversible gates available in the literature and compared with that of DKG & DKGP gates. Efficient performance of reversible logic circuits relies on the optimization of the key parameters viz number of constant inputs, garbage outputs and number of reversible gates. The full adder/subtractor and parallel adder/subtractor design with reversible DKGP and DKG gates results in least number of constant inputs, garbage outputs, and number of reversible gates compared to the other designs. Thus, this paper provides a threshold to build more complex arithmetic systems using these reversible logic gates, leading to the enhanced performance of computing systems.
Keywords: Low power CMOS, quantum computing, reversible logic gates, full adder, full subtractor, parallel adder/subtractor, basic gates, universal gates.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 142452 A Decomposition Method for the Bipartite Separability of Bell Diagonal States
Authors: Wei-Chih Su, Kuan-Peng Chen, Ming-Chung Tsai, Zheng-Yao Su
Abstract:
A new decomposition form is introduced in this report to establish a criterion for the bi-partite separability of Bell diagonal states. A such criterion takes a quadratic inequality of the coefficients of a given Bell diagonal states and can be derived via a simple algorithmic calculation of its invariants. In addition, the criterion can be extended to a quantum system of higher dimension.Keywords: decomposition, bipartite separability, Bell diagonal states.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 164551 A Multi-Signature Scheme based on Coding Theory
Authors: Mohammed Meziani, Pierre-Louis Cayrel
Abstract:
In this paper we propose two first non-generic constructions of multisignature scheme based on coding theory. The first system make use of the CFS signature scheme and is secure in random oracle while the second scheme is based on the KKS construction and is a few times. The security of our construction relies on a difficult problems in coding theory: The Syndrome Decoding problem which has been proved NP-complete [4].Keywords: Post-quantum cryptography, Coding-based cryptography, Digital signature, Multisignature scheme.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 186350 Dual Construction of Stern-based Signature Scheme
Authors: Pierre-Louis Cayrel, Sidi Mohamed El Yousfi Alaoui
Abstract:
In this paper, we propose a dual version of the first threshold ring signature scheme based on error-correcting code proposed by Aguilar et. al in [1]. Our scheme uses an improvement of Véron zero-knowledge identification scheme, which provide smaller public and private key sizes and better computation complexity than the Stern one. This scheme is secure in the random oracle model.Keywords: Stern algorithm, Véron algorithm, threshold ring signature, post-quantum cryptography.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 179149 Analysis of Complexes Pairing Performat Radical and Water
Authors: Sanaz Gharehzadeh Shirazi, Subira Gharehzadeh Shirazi, Fariba Jafari
Abstract:
The present article comprises a theoretical study of structures Performat radical (HCO3) with H2O molecule. We make use of ab initio quantum chemical methods. Unrestricted Hartee-Fock (UHF) with the basis set6-311+g(2df,2p) and density functional theory (B3LYP) with the basis set 6-311+g(2df,2p) and also we done atoms in molecules (AIM) theory for them. We have found four stable geometries the PerformatRadical(HCO3) with H2O.Keywords: Hydrogen binding, Performat Radical, Water, Gaussian, Atoms in molecules (AIM) theory
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 143548 Silicon-Waveguide Based Silicide Schottky- Barrier Infrared Detector for on-Chip Applications
Authors: Shiyang Zhu, Guo-Qiang Lo, Dim-Lee Kwong
Abstract:
We prove detailed analysis of a waveguide-based Schottky barrier photodetector (SBPD) where a thin silicide film is put on the top of a silicon-on-insulator (SOI) channel waveguide to absorb light propagating along the waveguide. Taking both the confinement factor of light absorption and the wall scanning induced gain of the photoexcited carriers into account, an optimized silicide thickness is extracted to maximize the effective gain, thereby the responsivity. For typical lengths of the thin silicide film (10-20 Ðçm), the optimized thickness is estimated to be in the range of 1-2 nm, and only about 50-80% light power is absorbed to reach the maximum responsivity. Resonant waveguide-based SBPDs are proposed, which consist of a microloop, microdisc, or microring waveguide structure to allow light multiply propagating along the circular Si waveguide beneath the thin silicide film. Simulation results suggest that such resonant waveguide-based SBPDs have much higher repsonsivity at the resonant wavelengths as compared to the straight waveguidebased detectors. Some experimental results about Si waveguide-based SBPD are also reported.
Keywords: Infrared detector, Schottky-barrier, Silicon waveguide, Silicon photonics
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 218547 Exploring Solutions in Extended Horava-Lifshitz Gravity
Authors: Aziza Altaibayeva, Ertan Gudekli, Ratbay Myrzakulov
Abstract:
In this letter, we explore exact solutions for the Horava-Lifshitz gravity. We use of an extension of this theory with first order dynamical lapse function. The equations of motion have been derived in a fully consistent scenario. We assume that there are some spherically symmetric families of exact solutions of this extended theory of gravity. We obtain exact solutions and investigate the singularity structures of these solutions. Specially, an exact solution with the regular horizon is found.
Keywords: Quantum gravity, Horava-Lifshitz gravity, black hole, spherically symmetric space times.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 223546 Optical Fiber Data Throughput in a Quantum Communication System
Authors: Arash Kosari, Ali Araghi
Abstract:
A mathematical model for an optical-fiber communication channel is developed which results in an expression that calculates the throughput and loss of the corresponding link. The data are assumed to be transmitted by using of separate photons with different polarizations. The derived model also shows the dependency of data throughput with length of the channel and depolarization factor. It is observed that absorption of photons affects the throughput in a more intensive way in comparison with that of depolarization. Apart from that, the probability of depolarization and the absorption of radiated photons are obtained.Keywords: Absorption, data throughput, depolarization, optical fiber.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 167045 Recent Advances on Computational Proteomics
Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes
Abstract:
In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.
Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 194144 Synthesis, Characterization and PL Properties of Cds Nanoparticles Confined within a Functionalized SBA-15 Mesoprous
Authors: Azam Anaraki Firooz, Ali Reza Mahjoub, Reza Donyaei Ziba
Abstract:
A simple and dexterous in situ method was introduced to load CdS nanocrystals into organofunctionalized mesoporous, which used an ion-exchange method. The products were extensively characterized by combined spectroscopic methods. X- ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) demonstrated both the maintenance of pore symmetry (space group p6mm) of SBA-15 and the presence of CdS nanocrystals with uniform sizes of about 6 - 8 nm inside the functionalized SBA-15 channels. These mesoporous silica-supported CdS composites showed room temperature photoluminescence properties with a blue shift, indicating the quantum size effect of nanocrystalline CdS.
Keywords: Semiconductors, luminescence, mesoporous material, CdS.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 162243 Solvatochromic Shift and Estimation of Dipole Moment of Quinine Sulphate Dication
Abstract:
Absorption and fluorescence spectra of quinine sulphate (QSD) have been recorded at room temperature in wide range of solvents of different polarities. The ground-state dipole moment of QSD was obtained from quantum mechanical calculations and the excited state dipole moment of QSD was estimated from Bakhshiev-s and Kawski-Chamma-Viallet-s equations by means of solvatochromic shift method. Higher value of dipole moment is observed for excited state as compared to the corresponding ground state value and this is attributed to the more polar excited state of QSD.Keywords: Dipole moment, Quinine sulphate dication, Solvatochromic shift
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 236342 Numerical Solution of Linear Ordinary Differential Equations in Quantum Chemistry by Clenshaw Method
Authors: M. Saravi, F. Ashrafi, S.R. Mirrajei
Abstract:
As we know, most differential equations concerning physical phenomenon could not be solved by analytical method. Even if we use Series Method, some times we need an appropriate change of variable, and even when we can, their closed form solution may be so complicated that using it to obtain an image or to examine the structure of the system is impossible. For example, if we consider Schrodinger equation, i.e., We come to a three-term recursion relations, which work with it takes, at least, a little bit time to get a series solution[6]. For this reason we use a change of variable such as or when we consider the orbital angular momentum[1], it will be necessary to solve. As we can observe, working with this equation is tedious. In this paper, after introducing Clenshaw method, which is a kind of Spectral method, we try to solve some of such equations.Keywords: Chebyshev polynomials, Clenshaw method, ODEs, Spectral methods
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 141041 Fixed Point Equations Related to Motion Integrals in Renormalization Hopf Algebra
Authors: Ali Shojaei-Fard
Abstract:
In this paper we consider quantum motion integrals depended on the algebraic reconstruction of BPHZ method for perturbative renormalization in two different procedures. Then based on Bogoliubov character and Baker-Campbell-Hausdorff (BCH) formula, we show that how motion integral condition on components of Birkhoff factorization of a Feynman rules character on Connes- Kreimer Hopf algebra of rooted trees can determine a family of fixed point equations.Keywords: Birkhoff Factorization, Connes-Kreimer Hopf Algebra of Rooted Trees, Integral Renormalization, Lax Pair Equation, Rota- Baxter Algebras.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 143040 Mutational Effect to Particular Interaction Energy of Cycloguanil Drug to Plasmodium Plasmodium Falciparum Dihydrofolate Reductase Enzymes
Authors: A. Maitarad, P. Maitarad
Abstract:
In order to find the particular interaction energy between cylcloguanil and the amino acids surrounding the pocket of wild type and quadruple mutant type PfDHFR enzymes, the MP2 method with basis set 6-31G(d,p) level of calculations was performed. The obtained interaction energies found that Asp54 has the strongest interaction energy to both wild type and mutant type of - 12.439 and -11.250 kcal/mol, respectively and three amino acids; Asp54, Ile164 and Ile14 formed the H-bonding with cycloguanil drug. Importantly, the mutation at Ser108Asn was the key important of cycloguanil resistant with showing repulsive interaction energy.Keywords: Cycloguanil, DHFR, malaria disease, interactionenergy, quantum calculations
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 140039 Application of Advanced Oxidation Processes to Mefenamic Acid Elimination
Authors: Olga Gimeno, Javier Rivas, Angel Encinas, Fernando Beltran
Abstract:
The elimimation of mefenamic acid has been carried out by photolysis, ozonation, adsorption onto activated carbon (AC) and combinations of the previous single systems (O3+AC and O3+UV). The results obtained indicate that mefenamic acid is not photo-reactive, showing a relatively low quantum yield of the order of 6 x 10-4 mol Einstein-1. Application of ozone to mefenamic aqueous solutions instantaneously eliminates the pharmaceutical, achieving simultaneously a 40% of mineralization. Addition of AC to the ozonation process does not enhance the process, moreover, mineralization is completely inhibited if compared to results obtained by single ozonation. The combination of ozone and UV radiation led to the best results in terms of mineralization (60% after 120 min).Keywords: Photolysis, mefenamic acid, ozone, activated carbon.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 195238 Bifurcation Method for Solving Positive Solutions to a Class of Semilinear Elliptic Equations and Stability Analysis of Solutions
Authors: Hailong Zhu, Zhaoxiang Li
Abstract:
Semilinear elliptic equations are ubiquitous in natural sciences. They give rise to a variety of important phenomena in quantum mechanics, nonlinear optics, astrophysics, etc because they have rich multiple solutions. But the nontrivial solutions of semilinear equations are hard to be solved for the lack of stabilities, such as Lane-Emden equation, Henon equation and Chandrasekhar equation. In this paper, bifurcation method is applied to solving semilinear elliptic equations which are with homogeneous Dirichlet boundary conditions in 2D. Using this method, nontrivial numerical solutions will be computed and visualized in many different domains (such as square, disk, annulus, dumbbell, etc).
Keywords: Semilinear elliptic equations, positive solutions, bifurcation method, isotropy subgroups.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 163937 Schrödinger Equation with Position-Dependent Mass: Staggered Mass Distributions
Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz
Abstract:
The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.
Keywords: Free particle, point canonical transformation method, position-dependent mass, staggered mass distribution.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 155636 Electron Filling Factor and Sunlight Concentration Effects on the Efficiency of Intermediate Band Solar Cell
Authors: Nima Es'haghi Gorji, Hossein Movla, Foozieh Sohrabi, Alireza Mottaghizadeh, Mohammad Houshmand, Hassan Babaei, Arash Nikniazi
Abstract:
For a determined intermediate band position, the effects of electron filling factor and sunlight concentration on the active region thickness and efficiency of the quantum-dot intermediate band solar cell are calculated. For each value of electron filling factor, the maximum point of efficiency obtained and resulted in the optimum thickness of the cell under three different sunlight concentrations. We show the importance of filling factor as a parameter to be more considered. The photon recycling effect eliminated in all calculations.
Keywords: Intermediate band, Sunlight concentration, Efficiency limits, Electron filling factor
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 152635 Temperature Effect on the Mechanical Properties of Pd3Rh and PdRh3 Ordered Alloys
Authors: J. Davoodi , J. Moradi
Abstract:
The aim of this research was to calculate the mechanical properties of Pd3Rh and PdRh3 ordered alloys. The molecular dynamics (MD) simulation technique was used to obtain temperature dependence of the energy, the Yong modulus, the shear modulus, the bulk modulus, Poisson-s ratio and the elastic stiffness constants at the isobaric-isothermal (NPT) ensemble in the range of 100-325 K. The interatomic potential energy and force on atoms were calculated by Quantum Sutton-Chen (Q-SC) many body potential. Our MD simulation results show the effect of temperature on the cohesive energy and mechanical properties of Pd3Rh as well as PdRh3 alloys. Our computed results show good agreement with the experimental results where they have been available.Keywords: Pd-Rh alloy; Mechanical properties; Moleculardynamics simulation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 159334 Ferroelectric Relaxor Behaviour in Some Lead- Free Compositions and their Potential Applications as Photocatalyst to Hydrogen Production
Authors: A. Kerfah, K. Taïbi, S. Omeiri, M. Trari.
Abstract:
New lead-free ferroelectric relaxor ceramics were prepared by conventional solid-state synthesis in the BaTiO3-Bi2O3- Y2O3 systems. Some of these ceramics present a ferroelectric relaxor with transition temperature close to room temperature. These new materials are very interesting for applications and can replace leadbased ceramic to prevent the toxic pollutions during the preparation state. In the other hand, the energy band diagram shows the potentiality of these compounds for the solar energy conversion. Thus, some compositions have been tested successfully for H2 production upon visible light. The best activity occurs in alkaline media with a rate evolution of about 0.15 mL g-1 mn-1 and a quantum yield of 1% under polychromatic light.Keywords: Ferroelectric, Hydrogen production, Lead-free, Photocatalysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 171933 One scheme of Transition Probability Evaluation
Authors: Alexander B. Bichkov, Alla A. Mityureva, Valery V. Smirnov
Abstract:
In present work are considered the scheme of evaluation the transition probability in quantum system. It is based on path integral representation of transition probability amplitude and its evaluation by means of a saddle point method, applied to the part of integration variables. The whole integration process is reduced to initial value problem solutions of Hamilton equations with a random initial phase point. The scheme is related to the semiclassical initial value representation approaches using great number of trajectories. In contrast to them from total set of generated phase paths only one path for each initial coordinate value is selected in Monte Karlo process.Keywords: Path integral, saddle point method, semiclassical approximation, transition probability
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1596