Search results for: molecular imprinted polymer
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 674

Search results for: molecular imprinted polymer

524 Effect of Cow bone and Groundnut Shell Reinforced in Epoxy Resin on the Mechanical Properties and Microstructure of the Composites

Authors: O. I. Rufai, G. I. Lawal, B. O. Bolasodun, S. I. Durowaye, J. O. Etoh

Abstract:

It is an established fact that polymers have several physical limitations such as low stiffness and low resistance to impact on loading. Hence, polymers do not usually have requisite mechanical strength for application in various fields. The reinforcement by high strength fibers provides the polymer substantially enhanced mechanical properties and makes them more suitable for a large number of diverse applications. This research evaluates the effects of particulate Cow bone and Groundnut shell additions on the mechanical properties and microstructure of cow bone and groundnut shell reinforced epoxy composite in order to assess the possibility of using it as a material for engineering applications. Cow bone and groundnut shell particles reinforced with epoxy (CBRPC and GSRPC) was prepared by varying the cow bone and groundnut shell particles from 0-25 wt% with 5 wt% intervals. A Hybrid of the Cow bone and Groundnut shell (HGSCB) reinforce with epoxy was also prepared. The mechanical properties of the developed composites were investigated. Optical microscopy was used to examine the microstructure of the composites. The results revealed that mechanical properties did not increase uniformly with additions in filler but exhibited maximum properties at specific percentages of filler additions. From the Microscopic evaluation, it was discovered that homogeneity decreases with increase in % filler, this could be due to poor interfacial bonding.

Keywords: Groundnut shell reinforced polymer composite (GSRPC), Cow bone reinforced polymer composite (CBRPC), Hybrid of ground nutshell and cowbone (HGSCB).

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523 Fabrication of Poly(Ethylene Oxide)/Chitosan/Indocyanine Green Nanoprobe by Co-Axial Electrospinning Method for Early Detection

Authors: Zeynep R. Ege, Aydin Akan, Faik N. Oktar, Betul Karademir, Oguzhan Gunduz

Abstract:

Early detection of cancer could save human life and quality in insidious cases by advanced biomedical imaging techniques. Designing targeted detection system is necessary in order to protect of healthy cells. Electrospun nanofibers are efficient and targetable nanocarriers which have important properties such as nanometric diameter, mechanical properties, elasticity, porosity and surface area to volume ratio. In the present study, indocyanine green (ICG) organic dye was stabilized and encapsulated in polymer matrix which polyethylene oxide (PEO) and chitosan (CHI) multilayer nanofibers via co-axial electrospinning method at one step. The co-axial electrospun nanofibers were characterized as morphological (SEM), molecular (FT-IR), and entrapment efficiency of Indocyanine Green (ICG) (confocal imaging). Controlled release profile of PEO/CHI/ICG nanofiber was also evaluated up to 40 hours.

Keywords: Chitosan, coaxial electrospinning, controlled releasing, indocyanine green, nanoprobe, polyethylene oxide.

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522 Biaxial Buckling of Single Layer Graphene Sheet Based on Nonlocal Plate Model and Molecular Dynamics Simulation

Authors: R. Pilafkan, M. Kaffash Irzarahimi, S. F. Asbaghian Namin

Abstract:

The biaxial buckling behavior of single-layered graphene sheets (SLGSs) is studied in the present work. To consider the size-effects in the analysis, Eringen’s nonlocal elasticity equations are incorporated into classical plate theory (CLPT). A Generalized Differential Quadrature Method (GDQM) approach is utilized and numerical solutions for the critical buckling loads are obtained. Then, molecular dynamics (MD) simulations are performed for a series of zigzag SLGSs with different side-lengths and with various boundary conditions, the results of which are matched with those obtained by the nonlocal plate model to numerical the appropriate values of nonlocal parameter relevant to each type of boundary conditions.

Keywords: Biaxial buckling, single-layered graphene sheets, nonlocal elasticity, molecular dynamics simulation, classical plate theory.

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521 Molecular Dynamics Simulation of Annular Flow Boiling in a Microchannel with 70000 Atoms

Authors: D.Toghraie, A.R.Azimian

Abstract:

Molecular dynamics simulation of annular flow boiling in a nanochannel with 70000 particles is numerically investigated. In this research, an annular flow model is developed to predict the superheated flow boiling heat transfer characteristics in a nanochannel. To characterize the forced annular boiling flow in a nanochannel, an external driving force F ext ranging from 1to12PN (PN= Pico Newton) is applied along the flow direction to inlet fluid particles during the simulation. Based on an annular flow model analysis, it is found that saturation condition and superheat degree have great influences on the liquid-vapor interface. Also, the results show that due to the relatively strong influence of surface tension in small channel, the interface between the liquid film and vapor core is fairly smooth, and the mean velocity along the stream-wise direction does not change anymore.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD), Annular Flow Boiling

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520 Influence of Surface Area on Dissolution of Additively Manufactured Polyvinyl Alcohol Tablets

Authors: Seyedebrahim Afkhami, Meisam Abdi, Reza Baserinia

Abstract:

Additive manufacturing is revolutionizing production in different industries, including pharmaceuticals. This case study explores the influence of surface area on the dissolution of additively manufactured polyvinyl alcohol parts as a polymer candidate. Specimens of different geometries and constant mass were fabricated using a Fused Deposition Modeling (FDM) 3D printer. The dissolution behavior of these samples was compared with respect to their surface area. Improved and accelerated dissolution was observed for samples with a larger surface area. This study highlights the capabilities of additive manufacturing to produce samples of complex geometries that cannot be manufactured otherwise to control the dissolution behavior for pharmaceutical and biopharmaceutical applications.

Keywords: Additive manufacturing, polymer dissolution, fused deposition modelling, geometry optimization.

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519 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

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518 Thermo-Mechanical Approach to Evaluate Softening Behavior of Polystyrene: Validation and Modeling

Authors: Salah Al-Enezi, Rashed Al-Zufairi, Naseer Ahmad

Abstract:

A Thermo-mechanical technique was developed to determine softening point temperature/glass transition temperature (Tg) of polystyrene exposed to high pressures. The design utilizes the ability of carbon dioxide to lower the glass transition temperature of polymers and acts as plasticizer. In this apparatus, the sorption of carbon dioxide to induce softening of polymers as a function of temperature/pressure is performed and the extent of softening is measured in three-point-flexural-bending mode. The polymer strip was placed in the cell in contact with the linear variable differential transformer (LVDT). CO2 was pumped into the cell from a supply cylinder to reach high pressure. The results clearly showed that full softening point of the samples, accompanied by a large deformation on the polymer strip. The deflection curves are initially relatively flat and then undergo a dramatic increase as the temperature is elevated. It was found that increasing the pressure of CO2 causes the temperature curves to shift from higher to lower by increment of about 45 K, over the pressure range of 0-120 bars. The obtained experimental Tg values were validated with the values reported in the literature. Finally, it is concluded that the defection model fits consistently to the generated experimental results, which attempts to describe in more detail how the central deflection of a thin polymer strip affected by the CO2 diffusions in the polymeric samples.

Keywords: Softening, high-pressure, polystyrene, CO2 diffusions.

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517 Source of Oseltamivir Resistance Due to R152K Mutation of Influenza B Virus Neuraminidase: Molecular Modeling

Authors: J. Tengrang, T. Rungrotmongkol, S. Hannongbua

Abstract:

Every 2-3 years the influenza B virus serves epidemics. Neuraminidase (NA) is an important target for influenza drug design. Although, oseltamivir, an oral neuraminidase drug, has been shown good inhibitory efficiency against wild-type of influenza B virus, the lower susceptibility to the R152K mutation has been reported. Better understanding of oseltamivir efficiency and resistance toward the influenza B NA wild-type and R152K mutant, respectively, could be useful for rational drug design. Here, two complex systems of wild-type and R152K NAs with oseltamivir bound were studied using molecular dynamics (MD) simulations. Based on 5-ns MD simulation, the loss of notable hydrogen bond and decrease in per-residue decomposition energy from the mutated residue K152 contributed to drug compared to those of R152 in wildtype were found to be a primary source of high-level of oseltamivir resistance due to the R152K mutation.

Keywords: Influenza B neuraminidase, Molecular dynamics simulation, Oseltamivir resistance, R152K mutant

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516 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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515 Experimental Investigation on the Effect of Bond Thickness on the Interface Behaviour of Fibre Reinforced Polymer Sheet Bonded to Timber

Authors: Abbas Vahedian, Rijun Shrestha, Keith Crews

Abstract:

The bond mechanism between timber and fibre reinforced polymer (FRP) is relatively complex and is influenced by a number of variables including bond thickness, bond width, bond length, material properties, and geometries. This study investigates the influence of bond thickness on the behaviour of interface, failure mode, and bond strength of externally bonded FRP-to-timber interface. In the present study, 106 single shear joint specimens have been investigated. Experiment results showed that higher layers of FRP increase the ultimate load carrying capacity of interface; conversely, such increase led to decrease the slip of interface. Moreover, samples with more layers of FRPs may fail in a brittle manner without noticeable warning that collapse is imminent.

Keywords: FRP, single shear test, bond thickness, bond strength.

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514 Parametric Study on Grindability of GFRP Laminates Using Different Abrasives

Authors: P. Chockalingam, C. K. Kok, T. R. Vijayaram

Abstract:

A study on grindability of chopped strand mat glass fiber reinforced polymer laminates (CSM GFRP) have been carried out to evaluate the significant parameters on wheel performance. Performance of Aluminum oxide and c-BN wheels during grinding of CSM GFRP laminate was evaluated in terms of grinding force and surface roughness during grinding. The cubic Boron Nitride wheel experiences higher tangential grinding forces components and lower normal force component than Aluminum oxide grinding wheels. In case of surface finish, Aluminum oxide grinding wheels outdo the cubic Boron Nitride grinding wheels.

Keywords: Grinding, glass fiber reinforced polymer laminates, grinding force, surface finish.

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513 Characterization of Gamma Irradiated PVDF and PVDF/Graphene Oxide Composites by Spectroscopic Techniques

Authors: Juliana V. Pereira, Adriana S. M. Batista, Jefferson P. Nascimento, Clascídia A. Furtado, Luiz O. Faria

Abstract:

The combination of the properties of graphene oxide (OG) and PVDF homopolymer makes their combined composite materials as multifunctional systems with great potential. Knowledge of the molecular structure is essential for better use. In this work, the degradation of PVDF polymer exposed to gamma irradiation in oxygen atmosphere in high dose rate has been studied and compared to degradation of PVDF/OG composites. The samples were irradiated with a Co-60 source at constant dose rate, with doses ranging from 100 kGy to 1,000 kGy. In FTIR data shown that the formation of oxidation products was at the both samples with formation of carbonyl and hydroxyl groups amongst the most prevalent products in the pure PVDF samples. In the other hand, the composites samples exhibit less presence of degradation products with predominant formation of carbonyl groups, these results also seen in the UV-Vis analysis. The results show that the samples of composites may have greater resistance to the irradiation process, since they have less degradation products than pure PVDF samples seen by spectroscopic techniques.

Keywords: Gamma irradiation, PVDF, PVDF/OG composites, spectroscopic techniques.

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512 Effects of Polymers and Alkaline on Recovery Improvement from Fractured Models

Authors: Payam Parvasi, Mohammad Hossein Sedaghat, Reza Janamiri, Amir Hatampour

Abstract:

In this work, several ASP solutions were flooded into fractured models initially saturated with heavy oil at a constant flow rate and different geometrical characteristics of fracture. The ASP solutions are constituted from 2 polymers i.e. a synthetic polymer, hydrolyzed polyacrylamide as well as a biopolymer, a surfactant and 2types of alkaline. The results showed that using synthetic hydrolyzed polyacrylamide polymer increases ultimate oil recovery; however, type of alkaline does not play a significant rule on oil recovery. In addition, position of the injection well respect to the fracture system has remarkable effects on ASP flooding. For instance increasing angle of fractures with mean flow direction causes more oil recovery and delays breakthrough time. This work can be accounted as a comprehensive survey on ASP flooding which considers most of effective factors in this chemical EOR method.

Keywords: ASP Flooding, Fractured System, Displacement, Heavy Oil.

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511 Mechanical Properties of the Palm Fibers Reinforced HDPE Composites

Authors: Daniella R. Mulinari, Araujo J. F. Marina, Gabriella S. Lopes

Abstract:

Natural fibers are used in polymer composites to improve mechanical properties to replace inorganic reinforcing agents produced by non-renewable resources. The present study investigates the tensile and flexural behaviors of palm fibers-high density polyethylene (HDPE) composite as a function of volume fraction. The surface of the fibers was treated by mercerization treatments to improve the wetting behavior of the apolar HDPE. The treatment characterization was obtained by scanning electron microscopy, X-Ray diffraction and infrared spectroscopy. Results evidences that a good adhesion interfacial between fibers-matrix caused an increase strength and modulus flexural as well as tensile strength in the modified fibers/HDPE composites when compared to the pure HDPE and untreated fibers reinforced composites.

Keywords: Mechanical properties, palm fibers, polymer composites, surface treatment.

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510 Computational Analysis of Potential Inhibitors Selected Based On Structural Similarity for the Src SH2 Domain

Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

Abstract:

The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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509 VHL, PBRM1 and SETD2 Genes in Kidney Cancer: A Molecular Investigation

Authors: Rozhgar A. Khailany, Mehri Igci, Emine Bayraktar, Sakip Erturhan, Metin Karakok, Ahmet Arslan

Abstract:

Kidney cancer is the most lethal urological cancer accounting for 3% of adult malignancies. VHL, a tumor-suppressor gene, is best known to be associated with renal cell carcinoma (RCC). The VHL functions as negative regulator of hypoxia inducible factors. Recent sequencing efforts have identified several novel frequent mutations of histone modifying and chromatin remodeling genes in ccRCC (clear cell RCC) including PBRM1 and SETD2. The PBRM1 gene encodes the BAF180 protein, which involved in transcriptional activation and repression of selected genes. SETD2 encodes a histone methyltransferase, which may play a role in suppressing tumor development. In this study, RNAs of 30 paired tumor and normal samples that were grouped according to the types of kidney cancer and clinical characteristics of patients, including gender and average age were examined by RT-PCR, SSCP and sequencing techniques. VHL, PBRM1 and SETD2 expressions were relatively down-regulated. However, statistically no significance was found (Wilcoxon signed rank test, p>0.05). Interestingly, no mutation was observed on the contrary of previous studies. Understanding the molecular mechanisms involved in the pathogenesis of RCC has aided the development of molecular-targeted drugs for kidney cancer. Further analysis is required to identify the responsible genes rather than VHL, PBRM1 and SETD2 in kidney cancer.

Keywords: Kidney cancer, molecular biomarker, expression analysis, mutation screening.

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508 Effect of Reynolds Number and Concentration of Biopolymer (Gum Arabic) on Drag Reduction of Turbulent Flow in Circular Pipe

Authors: Kamaljit Singh Sokhal, Gangacharyulu Dasoraju, Vijaya Kumar Bulasara

Abstract:

Biopolymers are popular in many areas, like petrochemicals, food industry and agriculture due to their favorable properties like environment-friendly, availability, and cost. In this study, a biopolymer gum Arabic was used to find its effect on the pressure drop at various concentrations (100 ppm – 300 ppm) with various Reynolds numbers (10000 – 45000). A rheological study was also done by using the same concentrations to find the effect of the shear rate on the shear viscosity. Experiments were performed to find the effect of injection of gum Arabic directly near the boundary layer and to investigate its effect on the maximum possible drag reduction. Experiments were performed on a test section having i.d of 19.50 mm and length of 3045 mm. The polymer solution was injected from the top of the test section by using a peristaltic pump. The concentration of the polymer solution and the Reynolds number were used as parameters to get maximum possible drag reduction. Water was circulated through a centrifugal pump having a maximum 3000 rpm and the flow rate was measured by using rotameter. Results were validated by using Virk's maximum drag reduction asymptote. A maximum drag reduction of 62.15% was observed with the maximum concentration of gum Arabic, 300 ppm. The solution was circulated in the closed loop to find the effect of degradation of polymers with a number of cycles on the drag reduction percentage. It was observed that the injection of the polymer solution in the boundary layer was showing better results than premixed solutions.

Keywords: Drag reduction, shear viscosity, gum Arabic, injection point.

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507 A New Method for Rapid DNA Extraction from Artemia (Branchiopoda, Crustacea)

Authors: R. Manaffar, R. Maleki, S. Zare, N. Agh, S. Soltanian, B. Sehatnia, P. Sorgeloos, P. Bossier, G. Van Stappen

Abstract:

Artemia is one of the most conspicuous invertebrates associated with aquaculture. It can be considered as a model organism, offering numerous advantages for comprehensive and multidisciplinary studies using morphologic or molecular methods. Since DNA extraction is an important step of any molecular experiment, a new and a rapid method of DNA extraction from adult Artemia was described in this study. Besides, the efficiency of this technique was compared with two widely used alternative techniques, namely Chelex® 100 resin and SDS-chloroform methods. Data analysis revealed that the new method is the easiest and the most cost effective method among the other methods which allows a quick and efficient extraction of DNA from the adult animal.

Keywords: APD, Artemia, DNA extraction, Molecularexperiments

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506 A Bacterial Foraging Optimization Algorithm Applied to the Synthesis of Polyacrylamide Hydrogels

Authors: Florin Leon, Silvia Curteanu

Abstract:

The Bacterial Foraging Optimization (BFO) algorithm is inspired by the behavior of bacteria such as Escherichia coli or Myxococcus xanthus when searching for food, more precisely the chemotaxis behavior. Bacteria perceive chemical gradients in the environment, such as nutrients, and also other individual bacteria, and move toward or in the opposite direction to those signals. The application example considered as a case study consists in establishing the dependency between the reaction yield of hydrogels based on polyacrylamide and the working conditions such as time, temperature, monomer, initiator, crosslinking agent and inclusion polymer concentrations, as well as type of the polymer added. This process is modeled with a neural network which is included in an optimization procedure based on BFO. An experimental study of BFO parameters is performed. The results show that the algorithm is quite robust and can obtain good results for diverse combinations of parameter values.

Keywords: Bacterial foraging optimization, hydrogels, neural networks, modeling.

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505 Basic Calibration and Normalization Techniques for Time Domain Reflectometry Measurements

Authors: Shagufta Tabassum

Abstract:

The study of dielectric properties in a binary mixture of liquids is very useful to understand the liquid structure, molecular interaction, dynamics, and kinematics of the mixture. Time-domain reflectometry (TDR) is a powerful tool for studying the cooperation and molecular dynamics of the H-bonded system. Here we discuss the basic calibration and normalization procedure for TDR measurements. Our aim is to explain different types of error occur during TDR measurements and how to minimize it.

Keywords: time domain reflectometry measurement technique, cable and connector loss, oscilloscope loss, normalization technique

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504 Evaluation of Hydrocarbons in Tissues of Bivalve Mollusks from the Red Sea Coast

Authors: A. Aljohani, M. Orif

Abstract:

The concentration of polycyclic aromatic hydrocarbons (PAH) in clams (A. glabrata) was examined in samples collected from Alseef Beach, 30 km south of Jeddah city. Gas chromatography-mass spectrometry (GC-MS) was used to analyze the 14 PAHs. The concentration of total PAHs was found to range from 11.521 to 40.149 ng/gdw with a mean concentration of 21.857 ng/gdw, which is lower compared to similar studies. The lower molecular weight PAHs with three rings comprised 18.14% of the total PAH concentrations in the clams, while the high molecular weight PAHs with four rings, five rings, and six rings account for 81.86%. Diagnostic ratios for PAH source distinction suggested pyrogenic or anthropogenic sources.

Keywords: Bivalves, biomonitoring, hydrocarbons, PAHs.

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503 Experimental Investigation and Constitutive Modeling of Volume Strain under Uniaxial Strain Rate Jump Test in HDPE

Authors: Rida B. Arieby, Hameed N. Hameed

Abstract:

In this work, tensile tests on high density polyethylene have been carried out under various constant strain rate and strain rate jump tests. The dependency of the true stress and specially the variation of volume strain have been investigated, the volume strain due to the phenomena of damage was determined in real time during the tests by an optical extensometer called Videotraction. A modified constitutive equations, including strain rate and damage effects, are proposed, such a model is based on a non-equilibrium thermodynamic approach called (DNLR). The ability of the model to predict the complex nonlinear response of this polymer is examined by comparing the model simulation with the available experimental data, which demonstrate that this model can represent the deformation behavior of the polymer reasonably well.

Keywords: Strain rate jump tests, Volume Strain, High Density Polyethylene, Large strain, Thermodynamics approach.

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502 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.

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501 FEM Study of Different Methods of Fiber Reinforcement Polymer Strengthening of a High Strength Concrete Beam-Column Connection

Authors: Talebi Aliasghar, Ebrahimpour Komeleh Hooman, Maghsoudi Ali Akbar

Abstract:

In reinforced concrete (RC) structures, beam-column connection region has a considerable effect on the behavior of structures. Using fiber reinforcement polymer (FRP) for the strengthening of connections in RC structures can be one of the solutions to retrofitting this zone which result in the enhanced behavior of structure. In this paper, these changes in behavior by using FRP for high strength concrete beam-column connection have been studied by finite element modeling. The concrete damage plasticity (CDP) model has been used to analyze the RC. The results illustrated a considerable development in load-bearing capacity but also a noticeable reduction in ductility. The study also assesses these qualities for several modes of strengthening and suggests the most effective mode of strengthening. Using FRP in flexural zone and FRP with 45-degree oriented fibers in shear zone of joint showed the most significant change in behavior.

Keywords: High strength concrete, beam-column connection, FRP, FEM.

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500 Recovery of Post-Consumer PET Bottles in a Composite Material Preparation

Authors: Rafenomananjara Tsinjo Nirina, Tomoo Sekito, Andrianaivoravelona Jaconnet Oliva

Abstract:

Manufacturing a composite material from post-consumer bottles is an interesting outlet since Madagascar is still facing the challenges of managing plastic waste on the one hand and appropriate waste treatment facilities are not yet developed on the other hand. New waste management options are needed to divert End-Of-Life (EOL) soft plastic wastes from landfills and incineration. Waste polyethylene terephthalate (PET) bottles might be considered as a valuable resource and recovered into polymer concrete. The methodology is easy to implement and appropriate to the local context in Madagascar. This approach will contribute to the production of ecological building materials that might be profitable for the environment and the construction sector. This work aims to study the feasibility of using the post-consumer PET bottles as an alternative binding agent instead of the conventional Portland cement and water. Then, the mechanical and physical properties of the materials were evaluated.

Keywords: PET recycling, polymer concrete, ecological building materials, pollution mitigation.

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499 Molecular Characterization of Free Radicals Decomposing Genes on Plant Developmental Stages

Authors: R. Haddad, K. Morris, V. Buchanan-Wollaston

Abstract:

Biochemical and molecular analysis of some antioxidant enzyme genes revealed different level of gene expression on oilseed (Brassica napus). For molecular and biochemical analysis, leaf tissues were harvested from plants at eight different developmental stages, from young to senescence. The levels of total protein and chlorophyll were increased during maturity stages of plant, while these were decreased during the last stages of plant growth. Structural analysis (nucleotide and deduced amino acid sequence, and phylogenic tree) of a complementary DNA revealed a high level of similarity for a family of Catalase genes. The expression of the gene encoded by different Catalase isoforms was assessed during different plant growth phase. No significant difference between samples was observed, when Catalase activity was statistically analyzed at different developmental stages. EST analysis exhibited different transcripts levels for a number of other relevant antioxidant genes (different isoforms of SOD and glutathione). The high level of transcription of these genes at senescence stages was indicated that these genes are senescenceinduced genes.

Keywords: Biochemical analysis, Oilseed, Expression pattern, Growth phases

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498 The Effect of Processing Parameters of the Vinyl Ester Matrix Nanocomposites Based On Layered Silicate on the Level of Exfoliation

Authors: A. I. Alateyah, H. N. Dhakal, Z. Y. Zhang

Abstract:

The study of the effect of the processing parameters on the level of intercalation between the layered silicate and polymer of two different methodology took place. X-ray diffraction, Scanning Electron Microscopy, Energy Dispersive X-ray Spectrometry, and Transmission Electron Microscopy were utilized in order to examine the intercalation level of nanocomposites of both methodologies. It was found that drying the clay prior to mixing with the polymer, mixing time and speed, degassing time, and the curing method had major changes to the level of distribution of the nanocomposites structure. In methodology 1, the presence of aggregation layers was observed at only 2.5 wt.% clay loading whereas in methodology 2 the presence of aggregation layers was found at higher clay loading (i.e. 5 wt.%).

Keywords: Vinyl ester, nanocomposites, layered silicate, characterisations, aggregation layers, intercalation, exfoliation.

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497 Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors

Authors: Chanin Park, Sundarapandian Thangapandian, Yuno Lee, Minky Son, Shalini John, Young-sik Sohn, Keun Woo Lee

Abstract:

Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

Keywords: Renin inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling

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496 Mechanical and Thermal Properties Characterisation of Vinyl Ester Matrix Nanocomposites Based On Layered Silicate

Authors: A. I. Alateyah, H. N. Dhakal, Z. Y. Zhang

Abstract:

The mechanical properties including flexural and tensile of neat vinyl ester and polymer based on layered silicate nanocomposite materials are discussed. The addition of layered silicate into the polymer matrix increased the tensile and flexural modulus up to 1 wt.% clay loading. The incorporation of more clay resulted in decreasing the mechanical properties which was traced to the existence of aggregation layers. Likewise, up to 1 wt.% clay loading, the thermal behaviour showed significant improvements and at higher clay loading the thermal pattern was reduced. The aggregation layers imparted a negative impact on the overall mechanical and thermal properties. Wide Angle X-ray Diffraction, Scanning Electron Microscopy and Transmission Electron Microscopy were utilised in order to characterise the interlamellar structure of nanocomposites.

Keywords: Vinyl ester, nanocomposites, layered silicate, mechanical properties, thermal analysis.

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495 Blind Spot Area Tracking Solution Using 1x12 POF-Based Optical Couplers

Authors: Mohammad Syuhaimi Ab-Rahman, Mohd Hadi Guna Safnal, Mohd Hazwan Harun, Mohd.Saiful Dzulkefly Zan, Kasmiran Jumari

Abstract:

Optical 1x12 fused-taper-twisted polymer optical fiber (POF) couplers has been fabricated by a perform technique. Characterization of the coupler which proposed to be used in passive night vision application to tracking a blind sport area was reported. During the development process of fused-taper-twisted POF couplers was carried out, red LED fully utilized to be injected into the couplers to test the quality of fabricated couplers. Some characterization parameters, such as optical output power, POFs attenuation characteristics and power losses on the network were observed. The maximum output power efficiency of the coupler is about 40%, but it can be improved gradually through experience and practice.

Keywords: polymer optical fiber (POF), customer-made, fused-taper-twisted fiber, optical coupler, small world communication, home network.

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