Search results for: electrostatic interaction

Authors: M. Z. Fathiah, R. G. Edyvean

Abstract:

Electrostatic interaction energy (ΔEEDL) is a part of the Extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) theory, which, together with van der Waals (ΔEVDW) and acid base (ΔEAB) interaction energies, has been extensively used to investigate the initial adhesion of bacteria to surfaces. Electrostatic or electrical double layer interaction energy is considerably affected by surface potential; however it cannot be determined experimentally and is usually replaced by zeta (ζ) potential via electrophoretic mobility. This paper focusses on the effect of ionic concentration as a function of pH and the effect of mineral grain size on ζ potential. It was found that both ionic strength and mineral grain size play a major role in determining the value of ζ potential for the adhesion of P. putida to hematite and quartz surfaces. Higher ζ potential values lead to higher electrostatic interaction energies and eventually to higher total XDLVO interaction energy resulting in bacterial repulsion.

Keywords: XDLVO, Electrostatic interaction energy, zeta potential, P. putida, mineral.

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Authors: Vahid Sabermand, Yousef Hojjat, Majid Hasanzadeh

Abstract:

This paper contains 2 main parts. In the first part of paper we simulated and studied three types of electrode patterns used in various industries for suspension and handling of the semiconductor and glass and we selected the best pattern by evaluating the electrostatic force, which was comb pattern electrode. In the second part we investigated the parameters affecting the amount of electrostatic force such as the gap between surface and electrode (g), the electrode width (w), the gap between electrodes (t), the surface permittivity and electrode length and methods of improvement of adhesion force by changing these values.

Keywords: Electrostatic force, electrostatic adhesion, electrostatic chuck, electrostatic application in industry, Electroadhesive grippers.

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Authors: Swarniv Chandra, Parthasona Maji, Basudev Ghosh

Abstract:

The nonlinear self-interaction of an electrostatic surface wave on a semibounded quantum plasma with relativistic degeneracy is investigated by using quantum hydrodynamic (QHD) model and the Poisson’s equation with appropriate boundary conditions. It is shown that a part of the second harmonic generated through self-interaction does not have a true surface wave character but propagates obliquely away from the plasma-vacuum interface into the bulk of plasma.

Keywords: Harmonic Generation, Quantum Plasma, Quantum Hydrodynamic Model, Relativistic Degeneracy, Surface waves.

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Authors: Ioan Rusu

Abstract:

Let us consider that the entire universe is composed of a single hydrogen atom within which the electron is moving around the proton. In this case, according to classical theories of physics, radiation, photons respectively, should be absorbed by the electron. Depending on the number of photons absorbed, the electron radius of rotation around the proton is established. Until now, the principle of photons absorption by electrons and the electron transition to a new energy level, namely to a higher radius of rotation around the proton, is not clarified in physics. This paper aims to demonstrate that radiation, photons respectively, have mass and negative electrostatic charge similar to electrons but infinitely smaller. The experiments which demonstrate this theory are simple: thermal expansion, photoelectric effect and thermonuclear reaction.

Keywords: Electrostatic, electron, proton, photon, radiation.

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Authors: Fei Wang, Kaimin Shih

Abstract:

The persistent nature of perfluorochemicals (PFCs) has attracted global concern in recent years. Perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) are the most commonly found PFC compounds, and thus their fate and transport play key roles in PFC distribution in the natural environment. The kinetic behavior of PFOS or PFOA on boehmite consists of a fast adsorption process followed by a slow adsorption process which may be attributed to the slow transport of PFOS or PFOA into the boehmite pore surface. The adsorption isotherms estimated the maximum adsorption capacities of PFOS and PFOA on boehmite as 0.877 μg/m2 and 0.633 μg/m2, with the difference primarily due to their different functional groups. The increase of solution pH led to a moderate decrease of PFOS and PFOA adsorption, owing to the increase of ligand exchange reactions and the decrease of electrostatic interactions. The presence of NaCl in solution demonstrated negative effects for PFOS and PFOA adsorption on boehmite surfaces, with potential mechanisms being electrical double layer compression, competitive adsorption of chloride.

Keywords: PFOS, PFOA, adsorption, electrostatic interaction, ligand exchange

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Authors: Michael Zimba, Darlison Nyirenda

Abstract:

A novel copy-move image forgery, CMIF, detection method is proposed. The proposed method presents a new approach which relies on electrostatic field theory, EFT. Solely for the purpose of reducing the dimension of a suspicious image, the proposed algorithm firstly performs discrete wavelet transform, DWT, of the suspicious image and extracts only the approximation subband. The extracted subband is then bijectively mapped onto a virtual electrostatic field where concepts of EFT are utilized to extract robust features. The extracted features are invariant to additive noise, JPEG compression, and affine transformation. Finally, same affine transformation selection, SATS, a duplication verification method, is applied to detect duplicated regions. SATS is a better option than the common shift vector method because SATS is insensitive to affine transformation. Consequently, the proposed CMIF algorithm is not only fast but also more robust to attacks compared to the existing related CMIF algorithms. The experimental results show high detection rates, as high as 100% in some cases.

Keywords: Affine transformation, Radix sort, SATS, Virtual electrostatic field.

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Authors: K. Y. You, Y. L. Then

Abstract:

In recent years, the hair building fiber has become popular, in other words, it is an effective method which helps people who suffer hair loss or sparse hair since the hair building fiber is capable to create a natural look of simulated hair rapidly. In the markets, there are a lot of hair fiber brands that have been designed to formulate an intense bond with hair strands and make the hair appear more voluminous instantly. However, those products have their own set of properties. Thus, in this report, some measurement techniques are proposed to identify those products. Up to five different brands of hair fiber are tested. The electrostatic and dielectric properties of the hair fibers are macroscopically tested using design DC and high frequency microwave techniques. Besides, the hair fibers are microscopically analysis by magnifying the structures of the fiber using scanning electron microscope (SEM). From the SEM photos, the comparison of the uniformly shaped and broken rate of the hair fibers in the different bulk samples can be observed respectively.

Keywords: Hair fiber, electrostatic, dielectric properties, broken rate, microwave techniques.

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Authors: H. Nouri, I. E. Achouri, A. Grimes, H. Ait Said, M. Aissou, Y. Zebboudj

Abstract:

This paper aims to analysis the behavior of DC corona discharge in wire-to-plate electrostatic precipitators (ESP). Currentvoltage curves are particularly analyzed. Experimental results show that discharge current is strongly affected by the applied voltage. The proposed method of current identification is to use the method of least squares. Least squares problems that of into two categories: linear or ordinary least squares and non-linear least squares, depending on whether or not the residuals are linear in all unknowns. The linear least-squares problem occurs in statistical regression analysis; it has a closed-form solution. A closed-form solution (or closed form expression) is any formula that can be evaluated in a finite number of standard operations. The non-linear problem has no closed-form solution and is usually solved by iterative.

Keywords: Electrostatic precipitator, current-voltage characteristics, Least Squares method, electric field, magnetic field.

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Authors: J. Thirunavukkarasu, M. Poulet, T. Turner, S. Pickering

Abstract:

Composite waste from manufacturing can consist of different fiber materials, including blends of different fiber. Commercially, the recycling of composite waste is currently limited to carbon fiber waste and recycling glass fiber waste is currently not economically viable due to the low cost of virgin glass fiber and the reduced mechanical properties of the recovered fibers. For this reason, the recycling of hybrid fiber materials, where carbon fiber is blended with glass fibers, cannot be processed economically. Therefore, a separation method is required to remove the glass fiber materials during the recycling process. An electrostatic separation method is chosen for this work because of the significant difference between carbon and glass fiber electrical properties. In this study, an experimental rig has been developed to measure the electrostatic charge achievable as the materials are passed through a tube. A range of particle lengths (80-100 µm, 6 mm and 12 mm), surface state conditions (0%SA, 2%SA and 6%SA), and several tube wall materials have been studied. A polytetrafluoroethylene (PTFE) tube and recycled fiber without sizing agent were identified as the most suitable parameters for the electrical separation method. It was also found that shorter fiber lengths helped to encourage particle flow and attain higher charge values. These findings can be used to develop a separation process to enable the cost-effective recycling of hybrid fiber composite waste. 

Keywords: electrostatic charging, hybrid fiber composite, recycling, short fiber composites

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Authors: Piotr-Robert Lazik, Harald Garrecht

Abstract:

Many concrete technologists are looking for a solution to replace Fly Ashes that would be unavailable in a few years as an element that occurs as a major component of many types of concrete. The importance of such component is clear - it saves cement and reduces the amount of CO₂ in the atmosphere that occurs during cement production. Wood Ashes from electrostatic filter can be used as a valuable substitute in concrete. The laboratory investigations showed that the wood ash concrete had a compressive strength comparable to coal fly ash concrete. These results indicate that wood ash can be used to manufacture normal concrete.

Keywords: Wood ashes, fly ashes, electric filter, replacement, concrete technology.

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Authors: Kyi Lin Lin Kyaw

Abstract:

Nowadays, we are facing with network threats that cause enormous damage to the Internet community day by day. In this situation, more and more people try to prevent their network security using some traditional mechanisms including firewall, Intrusion Detection System, etc. Among them honeypot is a versatile tool for a security practitioner, of course, they are tools that are meant to be attacked or interacted with to more information about attackers, their motives and tools. In this paper, we will describe usefulness of low-interaction honeypot and high-interaction honeypot and comparison between them. And then we propose hybrid honeypot architecture that combines low and high -interaction honeypot to mitigate the drawback. In this architecture, low-interaction honeypot is used as a traffic filter. Activities like port scanning can be effectively detected by low-interaction honeypot and stop there. Traffic that cannot be handled by low-interaction honeypot is handed over to high-interaction honeypot. In this case, low-interaction honeypot is used as proxy whereas high-interaction honeypot offers the optimal level realism. To prevent the high-interaction honeypot from infections, containment environment (VMware) is used.

Keywords: Low-interaction honeypot, High-interactionhoneypot, VMware, Proxy

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Authors: Mala Nath, Nagamani Kompelli, Partha Roy, Snehasish Das

Abstract:

Two new metal-based anticancer chemotherapeutic agents, [(Ph2Sn)2(HGuO)2(phen)Cl2] 1 and [(Ph3Sn)(HGuO)(phen)]- Cl.CH3OH.H2O 2, were designed, prepared and characterized by analytical and spectral (IR, ESI-Mass, 1H, 13C and 119Sn NMR) techniques. The proposed geometry of Sn(IV) in 1 and 2 is distorted octahedral and distorted trigonal-bipyramidal, respectively. Both 1 and 2 exhibit potential cytotoxicity in vitro against MCF-7, HepG-2 and DU-145 cell lines. The intrinsic binding constant (Kb) values of 1 (2.33 × 105 M-1) and 2 (2.46 × 105 M-1) evaluated from UV-Visible absorption studies suggest non-classical electrostatic mode of interaction via phosphate backbone of DNA double helix. The Stern- Volmer quenching constant (Ksv) of 1 (9.74 × 105 M-1) and 2 (2.9 × 106 M-1) determined by fluorescence studies suggests the groove binding and intercalation mode for 1 and 2, respectively. Effective cleavage of pBR322 DNA is induced by 1.Their interaction with DNA of cancer cells may account for potency.

Keywords: Anticancer agents, DNA binding studies, NMR spectroscopy, organotin.

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Authors: A. Abdikian

Abstract:

Propagation of nonlinear acoustic wave in dense electron-positron (e-p) plasmas in the presence of an external magnetic field and stationary ions (to neutralize the plasma background) is studied. By means of the quantum hydrodynamics model and applying the reductive perturbation method, the Zakharov-Kuznetsov equation is derived. Using the bifurcation theory of planar dynamical systems, the compressive structure of electrostatic solitary wave and periodic travelling waves is found. The numerical results show how the ion density ratio, the ion cyclotron frequency, and the direction cosines of the wave vector affect the nonlinear electrostatic travelling waves. The obtained results may be useful to better understand the obliquely nonlinear electrostatic travelling wave of small amplitude localized structures in dense magnetized quantum e-p plasmas and may be applicable to study the particle and energy transport mechanism in compact stars such as the interior of massive white dwarfs etc.

Keywords: Bifurcation theory, magnetized electron-positron plasma, phase portrait, the Zakharov-Kuznetsov equation.

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Authors: S.S. Razavipour, M. Jahangiri, H. Sadeghipoor

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In this paper, the computation of the electrical field distribution around AC high-voltage lines is demonstrated. The advantages and disadvantages of two different methods are described to evaluate the electrical field quantity. The first method is a seminumerical method using the laws of electrostatic techniques to simulate the two-dimensional electric field under the high-voltage overhead line. The second method which will be discussed is the finite element method (FEM) using specific boundary conditions to compute the two- dimensional electric field distributions in an efficient way.

Keywords: Electrical field, unloaded transmission lines, finite element method, electrostatic images technique.

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Authors: C. Thassana, W. Techitdheera

Abstract:

This calculation focus on the effect of exchange interaction J and Coulomb interaction U on spin magnetic moments (ms) of MnO by using the local spin density approximation plus the Coulomb interaction (LSDA+U) method within full potential linear muffin-tin orbital (FP-LMTO). Our calculated results indicated that the spin magnetic moments correlated to J and U. The relevant results exhibited the increasing spin magnetic moments with increasing exchange interaction and Coulomb interaction. Furthermore, equations of spin magnetic moment, which h good correspondence to the experimental data 4.58μB, are defined ms = 0.11J +4.52μB and ms = 0.03U+4.52μB. So, the relation of J and U parameter is obtained, it is obviously, J = -0.249U+1.346 eV.

Keywords: exchange interaction J, the Coulomb interaction U, spin magnetic moment, LSDA+U, MnO.

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Authors: Maryam Nejat Dehkordi, Per Lincoln, Hassan Momtaz

Abstract:

Interaction of Schiff base complexes of Iron and Manganese: Iron [N, N’ Bis (5- (triphenyl phosphonium methyl) salicylidene) -1, 2 ethanediamine) chloride, [Fe Salen]Cl; Manganese [N, N’ Bis (5- (triphenyl phosphonium methyl) salicylidene) -1, 2 ethanediamine) acetate, were investigated by spectroscopic and isothermal titration calorimetry techniques (ITC). The absorbance spectra of complexes have shown hyper and hypochromism in the presence of DNA that is indication of interaction of complexes with DNA. The linear dichroism (LD) measurements confirmed the bending of DNA in the presence of complexes. Furthermore, Isothermal titration calorimetry experiments approved that complexes bound to DNA on the base of both electrostatic and hydrophobic interactions. More, ITC profile exhibits the existence of two binding phases for the complexes. Antibacterial activity of ligand and complexes were tested in vitro to evaluate their activity against the gram positive and negative bacteria.

Keywords: Schiff base complexes, Linear dichroism (LD), Isothermal titration calorimetry (ITC).

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Authors: Voss Harrigan, Korey Carter, Mohammad Reza Shaeri

Abstract:

Detrimental effects of lunar dust on space hardware, spacesuits, and astronauts’ health have been already identified during Apollo missions. Developing effective dust mitigation technologies is critically important for successful space exploration and related missions in NASA applications. In this study, an electrostatic cleaning system (ECS) integrated with a negatively ionized Thunderon brush was developed to mitigate small-sized lunar dust particles with diameters ranging from 0.04 µm to 35 µm, and the mean and median size of 7 µm and 5 µm, respectively. It was found that the frequency pulses of the negative ion generator caused particles to stick to the Thunderon bristles and repel between the pulses. The brush was used manually to ensure that particles were removed from areas where the ECS failed to mitigate the lunar simulant. The acquired data demonstrated that the developed system removed over 91-96% of the lunar dust particles. The present study was performed as a proof-of-concept to enhance the cleaning performance of ECSs by integrating a brushing process. Suggestions were made to further improve the performance of the developed technology through future research.

Keywords: lunar dust mitigation, electrostatic cleaning system, brushing, Thunderon brush, cleaning rate

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Authors: Mohamed Fawzi Mahboub, Mourad Djebli

Abstract:

The expansion mechanism of a partially ionized plasma produced by laser interaction with solid target (copper) is studied. For this purpose we use a hydrodynamical model which includes a source term combined with Saha's equation. The obtained self-similar solution in the limit of quasi-neutrality shows that the expansion, at the earlier stage, is driven by the combination of thermal pressure and electrostatic potential. They are of the same magnitude. The initial ionized fraction and the temperature are the leading parameters of the expanding profiles,

Keywords: expansion, quasi-neutral, laser-ablated plasma, self- similar.

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Authors: Asadollah Boshra, Ahmad Seif, Mehran Aghaei

Abstract:

A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at 11B and 15N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and especially at the ends but the nuclei in a layer feel the same electrostatic environment. All of calculations carried out using Gaussian 98 Software package.

Keywords: Boron-nitride nanotube, Density Functional Theory, Nuclear Magnetic Resonance (NMR).

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Authors: Yuriy Tasinkevych, Eugene Danicki

Abstract:

Planar systems of electrodes arranged on both sides of dielectric piezoelectric layer are applied in numerous transducers. They are capable of electronic beam-steering of generated wave both in azimuth and elevation. The wave-beam control is achieved by addressable driving of two-dimensional transducer through proper voltage supply of electrodes on opposite surfaces of the layer. In this paper a semi-analytical method of analysis of the considered transducer is proposed, which is a generalization of the well-known BIS-expansion method. It was earlier exploited with great success in the theory of interdigital transducers of surface acoustic waves, theory of elastic wave scattering by cracks and certain advanced electrostatic problems. The corresponding nontrivial electrostatic problem is formulated and solved numerically.

Keywords: Beamforming, transducer array, BIS-expansion.

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Authors: Yuriy Tasinkevych, Eugene Danicki

Abstract:

Planar systems of electrodes arranged on both sides of dielectric piezoelectric layer are applied in numerous transducers. They are capable of electronic beam-steering of generated wave both in azimuth and elevation. The wave-beam control is achieved by addressable driving of two-dimensional transducer through proper voltage supply of electrodes on opposite surfaces of the layer. In this paper a semi-analytical method of analysis of the considered transducer is proposed, which is a generalization of the well-known BIS-expansion method. It was earlier exploited with great success in the theory of interdigital transducers of surface acoustic waves, theory of elastic wave scattering by cracks and certain advanced electrostatic problems. The corresponding nontrivial electrostatic problem is formulated and solved numerically.

Keywords: Beamforming, transducer array, BIS-expansion.

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Authors: Martin Henkel

Abstract:

Different forms of interaction are an integral part of modern courses. Traditional courses held on-campus might focus on teacher-student interaction, or student-student interaction, or both. However when these traditional on-campus courses are to be held as distance courses there is a risk that these well-designed interactions will be difficult or impossible to uphold. For example, studentstudent interaction in traditional project assignments might not work well if the students are scattered across the world. Thus, even a welldesigned traditional on-site course cannot without modification be turned into a distance course. Traditional on-site courses simply have to be redesigned to become true distance courses. This paper describes a structured approach which facilitates the redesign of a traditional course into a distance course. The approach is based on that the desired forms of course flexibility are identified, and thereafter that the course activities are redesigned to facilitate interaction in a distance course. The approach is making use of known patterns of pedagogic interaction and existing guidelines for distance education design. The approach is illustrated with an example course in the field of information systems design.

Keywords: Distance education, interaction in education, course design.

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Authors: Alireza Bozorgian, Navid Majdi Nasab, Abdolreza Memari

Abstract:

A continuum model is presented to study vdW interaction on buckling analysis of multi-walled walled carbon nanotube. In previous studies, only the vdW interaction between adjacent two layers was considered and the vdW interaction between the other two layers was neglected. The results show that the vdW interaction cofficients are dependent on the change of interlayer spacing and the radii of tubes. With increase of radii the vdW coefficients approach a constant value. The numerical results show that the effect of vdW interaction on the critical strain for a doublewalled CNT is negligible when the radius is large enough for the both the cases of before and after buckling.

Keywords: Buckling, Carbon nanotube, van der Waals interaction, Multi-walled Carbon nanotube, Critical Strain, Prebuckling Pressure

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Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: Dynamic simulation, single walled carbon nanotube, chlorophyll, adsorption.

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Authors: M. Rahimnejad, B. Vahidi, B. Ebrahimi Hoseinzadeh, F. Yazdian, P. Motamed Fath, R. Jamjah

Abstract:

In this study, we developed and simulated nano-drug delivery systems efficacy in compare to free drug prescription. Computational models can be utilized to accelerate experimental steps and control the experiments high cost. Molecular dynamics simulation (MDS), in particular NAMD was utilized to better understand the anti-cancer drug interaction with cell membrane model. Paclitaxel (PTX) and dipalmitoylphosphatidylcholine (DPPC) were selected for the drug molecule and as a natural phospholipid nanocarrier, respectively. This work focused on two important interaction parameters between molecules in terms of center of mass (COM) and van der Waals interaction energy. Furthermore, we compared the simulation results of the PTX interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane. The molecular dynamic analysis resulted in low energy between the nanocarrier and the cell membrane as well as significant decrease of COM amount in the nanocarrier and the cell membrane system during the interaction. Thus, the drug vehicle showed notably better interaction with the cell membrane in compared to free drug interaction with the cell membrane.

Keywords: Anti-cancer drug, center of Mass, interaction energy, molecular dynamics simulation, nanocarrier.

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Authors: Ahmad Seif, Karim Zare, Asadallah Boshra, Mehran Aghaie

Abstract:

Density functional theory (DFT) calculations were performed to compute nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative model of armchair boron nitride nanotube (BNNT) for the first time. The considered model consisting of 1 nm length of H-capped (5, 5) single-wall BNNT were first allowed to fully relax and then the NQR calculations were carried out on the geometrically optimized model. The evaluated nuclear quadrupole coupling constants and asymmetry parameters for the mentioned nuclei reveal that the model can be divided into seven layers of nuclei with an equivalent electrostatic environment where those nuclei at the ends of tubes have a very strong electrostatic environment compared to the other nuclei along the length of tubes. The calculations were performed via Gaussian 98 package of program.

Keywords: Armchair Nanotube, Density Functional Theory, Nuclear Quadrupole Resonance.

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Authors: Omar GACI, Stefan BALEV, Antoine DUTOT

Abstract:

In this paper we introduce the notion of protein interaction network. This is a graph whose vertices are the protein-s amino acids and whose edges are the interactions between them. Using a graph theory approach, we observe that according to their structural roles, the nodes interact differently. By leading a community structure detection, we confirm this specific behavior and describe thecommunities composition to finally propose a new approach to fold a protein interaction network.

Keywords: interaction network, protein structure, community structure detection.

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Authors: Huynh Quyet Thang, Le Hai Quan

Abstract:

Interaction Model plays an important role in Modelbased Intelligent Interface Agent Architecture for developing Intelligent User Interface. In this paper we are presenting some improvements in the algorithms for development interaction model of interface agent including: the action segmentation algorithm, the action pair selection algorithm, the final action pair selection algorithm, the interaction graph construction algorithm and the probability calculation algorithm. The analysis of the algorithms also presented. At the end of this paper, we introduce an experimental program called “Personal Transfer System".

Keywords: interface agent, interaction model, user model.

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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

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Authors: Dawid Stawski, Silviya Halacheva, Dorota Zielińska

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The surface properties of many materials can be readily and predictably modified by the controlled deposition of thin layers containing appropriate functional groups and this research area is now a subject of widespread interest. The layer-by-layer (lbl) method involves depositing oppositely charged layers of polyelectrolytes onto the substrate material which are stabilized due to strong electrostatic forces between adjacent layers. This type of modification affords products that combine the properties of the original material with the superficial parameters of the new external layers. Through an appropriate selection of the deposited layers, the surface properties can be precisely controlled and readily adjusted in order to meet the requirements of the intended application. In the presented paper a variety of anionic (poly(acrylic acid)) and cationic (linear poly(ethylene imine), polymers were successfully deposited onto the polypropylene nonwoven using the lbl technique. The chemical structure of the surface before and after modification was confirmed by reflectance FTIR spectroscopy, volumetric analysis and selective dyeing tests. As a direct result of this work, new materials with greatly improved properties have been produced. For example, following a modification process significant changes in the electrostatic activity of a range of novel nanocomposite materials were observed. The deposition of polyelectrolyte nanolayers was found to strongly accelerate the loss of electrostatically generated charges and to increase considerably the thermal resistance properties of the modified fabric (the difference in T50% is over 20oC). From our results, a clear relationship between the type of polyelectrolyte layer deposited onto the flat fabric surface and the properties of the modified fabric was identified.

Keywords: Layer-by-layer technique, polypropylene nonwoven, surface modification, surface properties.

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