Search results for: molecular imprinted polymer

Authors: Surajj Sarode, G. P. Vadnere, G. Vidya Sagar

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Compression coating is one of the strategies for delivering drug to the colon based on Gastrointestinal PH and transit time concept. The main aim of these formulations to develop rapidly disintegrating Zaltoprofen core tablets compression-coated with a mixture of time-dependent hydrophilic swellable polymer HPMC K 15 and PH responsive soluble polymer Chitosan and Guar gum in different ratios. The effect of the proportion of HPMC, Chitosan and Guar gum in the coat on premature drug release in upper part (Stomach and small intestine) of GIT and the amount of drug release in colon target area was studied. The formulations are carried out by using Direct Compression method. Sodium starch Glycolate used for rapid disintegration. FTIR used for Drug-Polymer Interaction studies. The prepared tablets were evaluated for hardness, thickness, friability, in-vitro disintegration, in-Vitro dissolution and in-vitro kinetic study.

Keywords: zaltoprofen, chitosan, formulation, drug delivery

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Authors: Arindam Pramanik, Parimal Karmakar

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We have explored the synergistic anti-cancer activity of copper ion and acetylacetone complex containing 1,3 diketone group (like curcumin) in metallorganic compound “Copper acetylacetonate” (CuAA). The cytotoxicity mechanism of CuAA complex was evaluated on various cancer cell lines in vitro. Among these, reactive oxygen species (ROS), glutathione level (GSH) in the cell was found to increase. Further mitochondrial membrane damage was observed. The fate of cell death was found to be induced by apoptosis. For application purpose, we have developed a novel biodegradable, non-toxic polymer-based nanoparticle which has hydrophobically modified core for loading of the CuAA. Folic acid is conjugated on the surface of the polymer (chitosan) nanoparticle for targeting to cancer cells for minimizing toxicity to normal cells in-vivo. Thus, this novel drug CuAA has an efficient anticancer activity which has been targeted specifically to cancer cells through polymer nanoparticle.

Keywords: anticancer, apoptosis, copper nanoparticle, targeted drug delivery

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Authors: Wided Zerguine, Farid Habelhames

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The performance of photovoltaic devices with a light absorber consisting of a single-type conjugated polymer is poor, due to a low photo-generation yield of charge carriers, strong radiative recombination’s and low mobility of charge carriers. Recently, it has been shown that ultra-fast photoinduced charge transfer can also occur between a conjugated polymer and a metal oxide semiconductor such as SnO2, TiO2, ZnO, Nb2O5, etc. This has led to the fabrication of photovoltaic devices based on composites of oxide semiconductor nanoparticles embedded in a conjugated polymer matrix. In this work, Poly [2-methoxy-5-(20-ethylhexyloxy)-p-phenylenevinylene] (MEH-PPV), (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) and titanium dioxide (TiO2) nanoparticles (n-type) were dissolved, mixed and deposited by physical methods (spin-coating) on indium tin-oxide (ITO) substrate. The incorporation of the titanium dioxide nanoparticles changed the morphology and increased the roughness of polymers film (MEH-PPV/PCBM), and the photocurrent density of the composite (MEH-PPV/PCBM +n-TiO2) was higher than that of single MEHPPV/ PCBM film. The study showed that the presence of n-TiO2 particles in the polymeric film improves the photoelectrochemical properties of MEH-PPV/PCBM composite.

Keywords: photocurrent density, organic nanostructures, hybrid coating, conducting polymer, titanium dioxide

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Authors: Hamide Aydin, Banu Karaman, Ayhan Bozkurt, Umran Kurtan

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Recently, Proton Conducting Gel Polymer Electrolytes (GPEs) have drawn much attention in supercapacitor applications due to their physical and electrochemical characteristics and stability conditions for low temperatures. In this research, PVA-H2SO4-H3BO3 GPE has been used for electric-double layer capacitor (EDLCs) application, in which electrospun free-standing carbon nanofibers are used as electrodes. Introduced PVA-H2SO4-H3BO3 GPE behaves as both separator and the electrolyte in the supercapacitor. Symmetric Swagelok cells including GPEs were assembled via using two electrode arrangements and the electrochemical properties were searched. Electrochemical performance studies demonstrated that PVA-H2SO4-H3BO3 GPE had a maximum specific capacitance (Cs) of 134 F g-1 and showed great capacitance retention (%100) after 1000 charge/discharge cycles. Furthermore, PVA-H2SO4-H3BO3 GPE yielded an energy density of 67 Wh kg-1 with a corresponding power density of 1000 W kg-1 at a current density of 1 A g-1. PVA-H2SO4 based polymer electrolyte was produced according to following procedure; Firstly, 1 g of commercial PVA was dissolved in distilled water at 90°C and stirred until getting transparent solution. This was followed by addition of the diluted H2SO4 (1 g of H2SO4 in a distilled water) to the solution to obtain PVA-H2SO4. PVA-H2SO4-H3BO3 based polymer electrolyte was produced by dissolving H3BO3 in hot distilled water and then inserted into the PVA-H2SO4 solution. The mole fraction was arranged to ¼ of the PVA repeating unit. After the stirring 2 h at RT, gel polymer electrolytes were obtained. The final electrolytes for supercapacitor testing included 20% of water in weight. Several blending combinations of PVA/H2SO4 and H3BO3 were studied to observe the optimized combination in terms of conductivity as well as electrolyte stability. As the amount of boric acid increased in the matrix, excess sulfuric acid was excluded due to cross linking, especially at lower solvent content. This resulted in the reduction of proton conductivity. Therefore, the mole fraction of H3BO3 was chosen as ¼ of PVA repeating unit. Within this optimized limits, the polymer electrolytes showed better conductivities as well as stability.

Keywords: electrical double layer capacitor, energy density, gel polymer electrolyte, ultracapacitor

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Authors: B. Vinod, L. Jsudev

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Natural fibers as reinforcement in polymer matrix material is gaining lot of attention in recent years, as they are light in weight, less in cost, and ecologically advanced surrogate material to glass and carbon fibers in composites. Natural fibers like jute, sisal, coir, hemp, banana etc. have attracted substantial importance as a potential structural material because of its attractive features along with its good mechanical properties. Cryogenic applications of natural fiber reinforced polymer composites like cryogenic wind tunnels, cryogenic transport vessels, support structures in space shuttles and rockets are gaining importance. In these unique cryogenic applications, the requirements of polymer composites are extremely severe and complicated. These materials need to possess good mechanical and physical properties at cryogenic temperatures such as liquid helium (4.2 K), liquid hydrogen (20 K), liquid nitrogen (77 K), and liquid oxygen (90 K) temperatures, etc., to meet the high requirements by the cryogenic engineering applications. The objective of this work is to investigate the mechanical behavior of hybrid hemp/jute fibers reinforced epoxy composite material at liquid nitrogen temperature. Hemp and Jute fibers are used as reinforcement material as they have high specific strength, stiffness and good adhering property and has the potential to replace the synthetic fibers. Hybrid hemp/jute fibers reinforced polymer composite is prepared by hand lay-up method and test specimens are cut according to ASTM standards. These test specimens are dipped in liquid nitrogen for different time durations. The tensile properties, flexural properties and impact strength of the specimen are tested immediately after the specimens are removed from liquid nitrogen container. The experimental results indicate that the cryogenic treatment of the polymer composite has a significant effect on the mechanical properties of this material. The tensile properties and flexural properties of the hybrid hemp/jute fibers epoxy composite at liquid nitrogen temperature is higher than at room temperature. The impact strength of the material decreased after subjecting it to liquid nitrogen temperature.

Keywords: liquid nitrogen temperature, polymer composite, tensile properties, flexural properties

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Authors: Christoph Lohr, Hanna Wund, Peter Elsner, Kay André Weidenmann

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Injection molding is one of the most commonly used techniques in the industrial polymer processing. In the conventional process of injection molding, the liquid polymer is injected into the cavity of the mold, where the polymer directly starts hardening at the cooled walls. To compensate the shrinkage, which is caused predominantly by the immediate cooling, holding pressure is applied. Through that whole process, residual stresses are produced by the temperature difference of the polymer melt and the injection mold and the relocation of the polymer chains, which were oriented by the high process pressures and injection speeds. These residual stresses often weaken or change the structural behavior of the parts or lead to deformation of components. One solution to reduce the residual stresses is the use of variothermal processing. Hereby the mold is heated – i.e. near/over the glass transition temperature of the polymer – the polymer is injected and before opening the mold and ejecting the part the mold is cooled. For the next cycle, the mold gets heated again and the procedure repeats. The rapid heating and cooling of the mold are realized indirectly by convection of heated and cooled liquid (here: water) which is pumped through fluid channels underneath the mold surface. In this paper, the influences of variothermal processing on the residual stresses are analyzed with samples in a larger scale (500 mm x 250 mm x 4 mm). In addition, the influence on functional elements, such as abrupt changes in wall thickness, bosses, and ribs, on the residual stress is examined. Therefore the polycarbonate samples are produced by variothermal and isothermal processing. The melt is injected into a heated mold, which has in our case a temperature varying between 70 °C and 160 °C. After the filling of the cavity, the closed mold is cooled down varying from 70 °C to 100 °C. The pressure and temperature inside the mold are monitored and evaluated with cavity sensors. The residual stresses of the produced samples are illustrated by birefringence where the effect on the refractive index on the polymer under stress is used. The colorful spectrum can be uncovered by placing the sample between a polarized light source and a second polarization filter. To show the achievement and processing effects on the reduction of residual stress the birefringence images of the isothermal and variothermal produced samples are compared and evaluated. In this comparison to the variothermal produced samples have a lower amount of maxima of each color spectrum than the isothermal produced samples, which concludes that the residual stress of the variothermal produced samples is lower.

Keywords: birefringence, injection molding, polycarbonate, residual stress, variothermal processing

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Authors: Strahinja Z. Kovačević, Lidija R. Jevrić, Sanja O. Podunavac Kuzmanović

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The relationship between antibacterial activity of eighteen different substituted benzimidazole derivatives and their molecular characteristics was studied using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on inhibitory activity towards Staphylococcus aureus, by using molecular descriptors, as well as minimal inhibitory activity (MIC). Molecular descriptors were calculated from the optimized structures. Principal component analysis (PCA) followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR) was performed in order to select molecular descriptors that best describe the antibacterial behavior of the compounds investigated, and to determine the similarities between molecules. The HCA grouped the molecules in separated clusters which have the similar inhibitory activity. PCA showed very similar classification of molecules as the HCA, and displayed which descriptors contribute to that classification. MLR equations, that represent MIC as a function of the in silico molecular descriptors were established. The statistical significance of the estimated models was confirmed by standard statistical measures and cross-validation parameters (SD = 0.0816, F = 46.27, R = 0.9791, R2CV = 0.8266, R2adj = 0.9379, PRESS = 0.1116). These parameters indicate the possibility of application of the established chemometric models in prediction of the antibacterial behaviour of studied derivatives and structurally very similar compounds.

Keywords: antibacterial, benzimidazole, molecular descriptors, QSAR

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Authors: Kumlachew Zelalem Walle, Chun-Chen Yang

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Solid-state Lithium metal batteries (SSLMBs) that contain polymer and ceramic solid electrolytes have received considerable attention as an alternative to substitute liquid electrolytes in lithium metal batteries (LMBs) for highly safe, excellent energy storage performance and stability under elevated temperature situations. Here, a novel fast Li-ion conducting material, LiTa₂PO₈ (LTPO), was synthesized and electrochemical performance of as-prepared powder and LTPO-incorporated composite solid polymer electrolyte (LTPO-CPE) membrane were investigated. The as-prepared LTPO powder was homogeneously dispersed in polymer matrices, and a hybrid solid electrolyte membrane was synthesized via a simple solution-casting method. The room temperature total ionic conductivity (σt) of the LTPO pellet and LTPO-CPE membrane were 0.14 and 0.57 mS cm-1, respectively. A coin battery with NCM811 cathode is cycled under 1C between 2.8 to 4.5 V at room temperature, achieving a Coulombic efficiency of 99.3% with capacity retention of 74.1% after 300 cycles. Similarly, the LFP cathode also delivered an excellent performance at 0.5C with an average Coulombic efficiency of 100% without virtually capacity loss (the maximum specific capacity is at 27th: 138 mAh g−1 and 500th: 131.3 mAh g−1). These results demonstrates the feasibility of a high Li-ion conductor LTPO as a filler, and the developed polymer/ceramic hybrid electrolyte has potential to be a high-performance electrolyte for high-voltage cathodes, which may provide a fresh platform for developing more advanced solid-state electrolytes.

Keywords: li-ion conductor, lithium-metal batteries, composite solid electrolytes, liTa2PO8, high-voltage cathode

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Authors: H. Lahlali F. El Haouzi, A.M.Al-Baradi, I. El Aboudi, M. El Azhari, A. Mdarhri

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Polytetrafluoroethylene (PTFE) is a high performance thermoplastic polymer with exceptional physical and chemical properties, such as a high melting temperature, high thermal stability, and very good chemical resistance. Nevertheless, manufacturing PTFE is problematic due to its high melt viscosity (10 12 Pa.s). In practice, it is by now well established that this property presents a serious problem when the classical methods are used to synthesized the dense PTFE materials in particularly hot pressing, high temperature extrusion. In this framework, we use here a new process namely spark plasma sintering (SPS) to elaborate PTFE samples from the micro metric particles powder. It consists in applying simultaneous electric current and pressure directly on the sample powder. By controlling the processing parameters of this technique, a series of PTFE samples are easy obtained and associated to remarkably short time as is reported in an early work. Our central goal in the present study is to understand how the non conventional SPS affects the mechanical properties at room temperature. For this end, a second commercially series of PTFE synthesized by using the extrusion method is investigated. The first data according to the tensile mechanical properties are found to be superior for the first set samples (SPS). However, this trend is not observed for the results obtained from the compression testing. The observed macro-behaviors are correlated to some physical properties of the two series of samples such as their crystallinity or density. Upon a close examination of these properties, we believe the SPS technique can be seen as a promising way to elaborate the polymer having high molecular mass without compromising their mechanical properties.

Keywords: PTFE, extrusion, Spark Plasma Sintering, physical properties, mechanical behavior

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Authors: Merle Bischoff, Thomas Gries, Gunnar Seide

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Nanocomposites have become more and more important as the implementation of nanoparticles in polymer allows additional functions in common industrial parts. Especially in the fabrication of filaments or fibres nanomodification is important, as only very small fillers can be added to the very fine fibres (common diameter is 20 µm, fine filament are 1 µm). Discharging fibres, conductive fibres, and many other functional fibres raise in their importance nowadays. Especially the dispersion quality is essential for the final enhancement of the filament propertied. In this paper, the dispersion of carbon nanoparticles in polymer melt is enhanced by a newly developed sonication unit of ITA and BANDELIN electronic GmbH & Co. KG. The first development steps of the unit fabrication, as well as the first experimental results of the modification of the dispersion, are shown. Special focus will be laid on the sealing of the new sonication unit as well as the positioning and equipment size when being implemented in an existing melt spinning unit. Furthermore, the influence on the thereby manufactured nano-modified filaments will be shown.

Keywords: dispersion, sonication, carbon nanoparticles, filaments

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Authors: S. Arabnejad, D. W. C. Cheong, H. Chaobin, V. P. W. Shim

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Debonding is the one of the fundamental damage mechanisms in particle field composites. This phenomenon gains more importance in nano composites because of the extensive interfacial region present in these materials. Understanding the debonding mechanism accurately, can help in understanding and predicting the response of nano composites as the interface deteriorates. The small length scale of the phenomenon makes the experimental characterization complicated and the results of it, far from real physical behavior. In this study the damage process in nylon-6/silica interface is examined through Molecular Dynamics (MD) modeling and simulations. The silica has been modeled with three forms of surfaces – without any surface treatment, with the surface treatment of 3-aminopropyltriethoxysilane (APTES) and with Hexamethyldisilazane (HMDZ) surface treatment. The APTES surface modification used to create functional groups on the silica surface, reacts and form covalent bonds with nylon 6 chains while the HMDZ surface treatment only interacts with both particle and polymer by non-bond interaction. The MD model in this study uses a PCFF force field. The atomic model is generated in a periodic box with a layer of vacuum on top of the polymer layer. This layer of vacuum is large enough that assures us from not having any interaction between particle and substrate after debonding. Results show that each of these three models show a different traction separation behavior. However, all of them show an almost bilinear traction separation behavior. The study also reveals a strong correlation between the length of APTES surface treatment and the cohesive strength of the interface.

Keywords: debonding, surface treatment, cohesive response, separation behaviour

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Authors: Hamad Al-Turaif, Usman Saeed

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The development of nanofibers with the help of electrospinning is being prioritized as a method of choice because of the simplicity and efficiency of the process. The parameters of the electrospinning process effectively convert the polymer solution into an electrospun final product made of the desired diameter of nanofiber. The aim of the study presented is to recognize and analyze the effect of proposed parameters on biodegradable and biocompatible polylactic acid (PLA)/polybutylene succinate (PBS) nanofiber developed by the electrospinning process. The morphology of the fiber is characterized by implementing Scanning Electron Microscope. Studies were conducted to characterize the result of using different electrospinning parameters on the final diameter and orientation of fiber. It was determined that varying polymer solution concentration, feed rate, and applied voltage show different outcomes. The best results were obtained at 6% polymer solution concentration, 20 kV, and 0.5 ml/h, which can be applicable for biomedical applications. Finally, protein adsorption and mechanical testing were conducted on the PLA/PBS fiber.

Keywords: electrospinning, polylactic acid, polybutylene succinate, morphology

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

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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: HSC, beam-column connection, Fiber Reinforcement Polymer, FRP, Finite Element Modeling, FEM

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Authors: W. Soufi, F. Boukli Hacene, S. Ghalem

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Alzheimer's disease (AD) is a neurodegenerative disease that leads to a progressive and permanent deterioration of nerve cells. This disease is progressively accompanied by an intellectual deterioration leading to psychological manifestations and behavioral disorders that lead to a loss of autonomy. It is the most frequent of degenerative dementia. Alzheimer's disease (AD), which affects a growing number of people, has become a major public health problem in a few years. In the context of the study of the mechanisms governing the evolution of AD disease, we have found that natural flavonoids are good acetylcholinesterase inhibitors that reduce the rate of ßA secretion in neurons. This work is to study the inhibition of acetylcholinesterase (AChE) which is an enzyme involved in Alzheimer's disease, by methods of molecular modeling. These results will probably help in the development of an effective therapeutic tool in the fight against the development of Alzheimer's disease. Our goal of the research is to study the inhibition of acetylcholinesterase (AChE) by molecular modeling methods.

Keywords: Alzheimer's disease, acetylcholinesterase, flavonoids, molecular modeling

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Authors: Lan Nguyen, Lam Cao Van

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Thuan Phuoc is a suspension bridge built in Danang city, Vietnam. Because this bridge locates near the estuary, its structure has degraded rapidly. Many cracks have currently occurred on most of the concrete piers of the curved approach spans. This paper aims to present the results of diagnostic analysis of causes for cracks as well as some calculations for strengthening piers by carbon fiber reinforced polymer (CFRP). Besides, it describes how to use concrete nonlinear analysis software ATENA to diagnostically analyze cracks, strengthening designs. Basing on the results of studying the map of distributing crack on Thuan Phuoc bridge’s concrete piers is analyzed by the software ATENA is suitable for the real conditions and CFRP would be the best solution to strengthen piers in a sound and fast way.

Keywords: ATENA, bridge pier strengthening, carbon fiber reinforced polymer (CFRP), crack prediction analysis

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Authors: Betim Bahtiri, B. Arash, R. Rolfes

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Epoxy-based materials are frequently exposed to high-humidity environments in many engineering applications. As a result, their material properties would be degraded by water absorption. A full characterization of the material properties under hygrothermal conditions requires time- and cost-consuming experimental tests. To gain insights into the physics of diffusion mechanisms, atomistic simulations have been shown to be effective tools. Concerning the diffusion of water in polymers, spatial trajectories of water molecules are obtained from molecular dynamics (MD) simulations allowing the interpretation of diffusion pathways at the nanoscale in a polymer network. Conventional MD simulations of water diffusion in amorphous polymers lead to discrepancies at low temperatures due to the short timescales of the simulations. In the proposed model, this issue is solved by using a combined scheme of autonomous basin climbing (ABC) with kinetic Monte Carlo and reactive MD simulations to investigate the diffusivity of water molecules in epoxy resins across a wide range of temperatures. It is shown that the proposed simulation framework estimates kinetic properties of water diffusion in epoxy resins that are consistent with experimental observations and provide a predictive tool for investigating the diffusion of small molecules in other amorphous polymers.

Keywords: epoxy resins, water diffusion, autonomous basin climbing, kinetic Monte Carlo, reactive molecular dynamics

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Authors: Tigist Girma Kedane

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The purpose of this paper is to evaluate the properties of Ethiopian bamboo fiber polymer composites for headliner materials in the automobile industry. Accurate evaluation of its mechanical properties is thus critical for predicting its behavior during a vehicle's interior impact assessment. Conventional headliner materials are higher in weight, nonbiodegradable, expensive in cost, and unecofriendly during processing compared to the current researched materials. Three representatives of bamboo plants are harvested in three regions of bamboo species, three groups of ages, and two harvesting months. The statistical analysis was performed to validate the significant difference between the mean strength of bamboo ages, harvesting seasons, and bamboo species. Two-year-old bamboo fibers have the highest mechanical properties in all ages and November has higher mechanical properties compared to February. Injibara and Kombolcha have the highest and the lowest mechanical properties of bamboo fibers, respectively. Bamboo fiber epoxy composites have higher mechanical properties compared to bamboo fiber polypropylene composites. The flexural strength of bamboo fibre polymer composites has higher properties compared to tensile strength. Ethiopian bamboo fibers and their polymer composites have the best mechanical properties for the composite industry, which is used for headliner materials in the automobile industry compared to conventional headliner materials.

Keywords: bampoo species, culm age, harvesting seasons, mechanical properties, polymer composite

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Authors: Aliyu Adamu, Fahrul Huyop, Roswanira Abdul Wahab, Mohd Shahir Shamsir

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Halogenated organic compounds occur in huge amount in biosphere. This is attributable to the diverse use of halogen-based compounds in the synthesis of various industrially important products. Halogenated compound is toxic and may persist in the environment, thereby causing serious health and environmental pollution problems. L-2-haloacid dehalogenases (EC 3.8.1.2) catalyse the specific cleavage of carbon-halogen bond in L-isomers of halogenated compounds, which consequently reverse the effects of environmental halogen-associated pollution. To enhance the efficiency and utility of these enzymes, this study investigates the catalytic amino acid residues and the molecular functional mechanism of DehL, by classical molecular dynamic simulations, MM-PBSA and ab initio fragments molecular orbital (FMO) calculations. The results of the study will serve as the basis for the molecular engineering of the enzyme.

Keywords: DehL, Functional mechanism, Catalytic residues, L-2-haloacid dehalogenase

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Authors: Wuttikorn Chayapanja, Sutep Charoenpongpool, Manit Nithitanakul, Brian P. Grady

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Poly (trimethylene terephthalate) (PTT) is a linear aromatic polyester with good strength and stiffness, good surface appearance, low shrinkage and war page, and good dimensional stability. However, it has low impact strength which is a problem in automotive application. Thus, modification of PTT with the other polymer or polymer blending is a one way to develop a new material with excellence properties. In this study, PTT/High Density Polyethylene (HDPE) blends and PTT/Linear Low Density Polyethylene (LLDPE) blends with and without compatibilizers base on maleic anhydride grafted HDPE (MAH-g-HDPE) and ethylene-methacrylic acid neutralized sodium metal (Na-EMAA) were prepared by a twin-screw extruder. The blended samples with different ratios of polymers and compatibilizers were characterized on mechanical and rheological properties. Moreover, the phase morphology and dispersion size were studied by using SEM to give better understanding of the compatibility of the blends.

Keywords: poly trimethylene terephthalate, polyethylene, compatibilizer, polymer blend

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Authors: G. Vinitha, A. Ramalingam

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In view of a possible application in optical data storage devices, diffraction grating efficiency of an organic dye, Acid Fuchsin doped in PMMA matrix was studied under excitation with CW diode pumped Nd: YAG laser at 532 nm. The open aperture Z-scan of dye doped polymer displayed saturable absorption and the closed aperture Z-scan of the samples exhibited negative nonlinearity. The diffraction efficiency of the grating is the ratio of the intensity of the first order diffracted power to the incident read beam power. The dye doped polymer films were found to be good media for recording. It is observed that the formation of gratings strongly depend on the concentration of dye in the polymer film, the intensity ratios of the writing beams and the angle between the writing beams. It has been found that efficient writing can be made at an angle of 20° and when the intensity ratio of the writing beams is unity.

Keywords: diffraction efficiency, nonlinear optical material, saturable absorption, surface-relief-gratings

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Authors: F. Boukli Hacene, W. Soufi, S. Ghalem

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Glaucoma disease is a progressive degenerative optic neuropathy, with irreversible visual field deficits and high eye pressure being one of the risk factors. Sulfonamides are carbonic anhydrase-II inhibitors that aim to decrease the secretion of aqueous humor by direct inhibition of this enzyme at the level of the ciliary processes. These drugs present undesirable effects that are difficult to accept by the patient. In our study, we are interested in the inhibition of carbonic anhydrase-II by different natural ligands (curcumin analogues) using molecular modeling methods using molecular operating environment (MOE) software to predict their interaction with this enzyme.

Keywords: carbonic anhydrase-II, curcumin analogues, drug research, molecular modeling

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Authors: Shamik Hazra, Sushanta Mitra, Ashis Sen

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Despite growing interest of microparticle manipulation in non-Newtonian fluids, combined effect of viscoelasticity and shear thinning on particle lateral position is not well understood. We performed experiments with rigid microparticles of 15 µm diamater in popular Shear thinning viscoelastic (STVE) liquid poyethylene oxide (PEO) of different molecular weights (MW) and concentrations (c), for Reynolds number (Re) < 1. Microparticles in an STVE liquid revealed four different migration regimes: original streamline (OS), bimodal (BM), centre migration (CM) and defocusing (DF), depending upon the Re and c and interplay of different forces is also elucidated. Our investigation will be helpful to select proper polymer concentration to achieve desired particle focusing inside microchannel.

Keywords: lateral migration, microparticle, polyethylene oxide, shear thinning, viscoelasticity

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Authors: V.Barbakadze, L.Gogilashvili, L.Amiranashvili, M.Merlani, K.Mulkijanyan

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The high-molecular fractions from the several species of two genera (Symphytum and Anchusa) of Boraginaceae family Symphytum asperum, S. caucasicum, S. officinale, and Anchusa italica were isolated. According to IR, 13C and 1H NMR, 2D heteronuclear 1H/13C HSQC spectral data and 1D NOE experiment, the main structural element of these preparations was found to be a regularly substituted polyoxyethylene, namely poly[3-(3,4-dihydroxyenyl)glyceric acid] (PDPGA) or poly[oxy-1-carboxy-2-(3,4-dihydroxyphenyl)ethylene]. Such caffeic acid-derived biopolymer to our knowledge has not been known and has been identified for the first time. This compound represents a new class of natural polyethers with a residue of 3-(3,4-dihydroxyphenyl)glyceric acid as the repeating unit. Most of the carboxylic groups of PDPGA from A. italica unlike the polymer of S. asperum, S. caucasicum, and S. officinale are methylated. The 2D DOSY experiment gave the similar diffusion coefficient for the methylated and non-methylated signals of A. italica PDPGA. Both sets of signals fell in the same horizontal. This would imply a similar molecular weight for methylated and non-methylated polymers. This was further evidenced by graphic representations of the intensity decay of the 1H signals of aromatic H-2″ and H-1 at δ 7.16 and 5.24 and that of the methoxy group at δ 3.85. These three signals essentially showed the same curve shape. According to results of in vitro and in vivo experiments PDPGA of S.asperum and S.caucasicum could be considered as potential anti-inflammatory, wound healing and anti-cancer therapeutic agent.

Keywords: caffeic acid-derived polyether, poly[3-(3, 4-dihydroxyphenyl)glyceric acid], poly[oxy-1-carboxy-2-(3, 4-dihydroxyphenyl)ethylene], symphytum, anchusa

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Authors: Bahar Basturk, Secil Celik Erbas, Sevket Can Sarikaya

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Composites combining the particulates and polymer components have attracted great interest in various application areas such as packaging, furniture, electronics and automotive industries. For strengthening the plastic matrices, the utilization of natural fillers instead of traditional reinforcement materials has received increased attention. The properties of natural filler based polymer composites (NFPC) may be improved by applying proper surface modification techniques to the powder phase of the structures. In this study, acorn powder-epoxy and pine corn powder-epoxy composites containing up to 45% weight percent particulates were prepared by casting method. Alkali treatment and acetylation techniques were carried out to the natural particulates for investigating their influences under mechanical forces. The effects of filler type and content on the tensile properties of the composites were compared with neat epoxy. According to the quasi-static tensile tests, the pine cone based composites showed slightly higher rigidity and strength properties compared to the acorn reinforced samples. Furthermore, the structures independent of powder type and surface modification technique, showed higher tensile properties with increasing the particle content.

Keywords: natural fillers, polymer composites, surface modifications, tensile properties

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Authors: Yamina Boukari, Nashiru Billa, Andrew Morris, Stephen Doughty, Kevin Shakesheff

Abstract:

Poly (lactic-co-glycolic) acid (PLGA) is a synthetic polymer that can be used in bone tissue engineering with the aim of creating a scaffold in order to support the growth of cells. The formation of microspheres from this polymer is an attractive strategy that would allow for the development of an injectable system, hence avoiding invasive surgical procedures. The aim of this study was to develop a microsphere delivery system for use as an injectable scaffold in bone tissue engineering and evaluate various formulation parameters on its properties. Porous and lysozyme-containing PLGA microspheres were prepared using the double emulsion solvent evaporation method from various molecular weights (MW). Scaffolds were formed by sintering to contain 1 -3mg of lysozyme per gram of scaffold. The mechanical and physical properties of the scaffolds were assessed along with the release of lysozyme, which was used as a model protein. The MW of PLGA was found to have an influence on microsphere size during fabrication, with increased MW leading to an increased microsphere diameter. An inversely proportional relationship was displayed between PLGA MW and mechanical strength of formed scaffolds across loadings for low, intermediate and high MW respectively. Lysozyme release from both microspheres and formed scaffolds showed an initial burst release phase, with both microspheres and scaffolds fabricated using high MW PLGA showing the lowest protein release. Following the initial burst phase, the profiles for each MW followed a similar slow release over 30 days. Overall, the results of this study demonstrate that lysozyme can be successfully incorporated into porous PLGA scaffolds and released over 30 days in vitro, and that varying the MW of the PLGA can be used as a method of altering the physical properties of the resulting scaffolds.

Keywords: bone, microspheres, PLGA, tissue engineering

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Authors: Maurice Brogly, Edwige Privas, Rajesh K. Gajendran, Sophie Bistac

Abstract:

Anti-sticky coatings based on perfluoroalkoxy (PFA) coatings are widely used in food processing industry especially for bread making. Their tribological performance, such as low friction coefficient, low surface energy and high heat resistance, make them an appropriate choice for anti-sticky coating application in moulds for food processing industry. This study is dedicated to evidence the transfer of contaminants from the coating due to wear and thermal ageing of the mould. The risk of contamination is induced by the damage of the coating by bread crust during the demoulding stage. The study focuses on the wear resistance and potential transfer of perfluorinated polymer from the anti-sticky coating. Friction between perfluorinated coating and bread crust is modeled by a tribological pin-on-disc test. The cellular nature of the bread crust is modeled by a polymer foam. FTIR analysis of the polymer foam after friction allow the evaluation of the transfer from the perfluorinated coating to polymer foam. Influence of thermal ageing on the physical, chemical and wear properties of the coating are also investigated. FTIR spectroscopic results show that the increase of PFA transfer onto the foam counterface is associated to the decrease of the friction coefficient. Increasing lubrication by film transfer results in the decrease of the friction coefficient. Moreover increasing the friction test parameters conditions (load, speed and sliding distance) also increase the film transfer onto the counterface. Thermal ageing increases the hydrophobic character of the PFA coating and thus also decreases the friction coefficient.

Keywords: fluorobased polymer coatings, FTIR spectroscopy, non-stick food moulds, wear and friction

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Authors: Rabindranath Jana, Biswajit Maity, Keka Rana

Abstract:

The most promising clean energy source is the fuel cell, since it does not generate toxic gases and other hazardous compounds. Again the direct methanol fuel cell (DMFC) is more user-friendly as it is easy to be miniaturized and suited as energy source for automobiles as well as domestic applications and portable devices. And unlike the hydrogen used for some fuel cells, methanol is a liquid that is easy to store and transport in conventional tanks. The most important part of a fuel cell is its membrane. Till now, an overall efficiency for a methanol fuel cell is reported to be about 20 ~ 25%. The lower efficiency of the cell may be due to the critical factors, e.g. slow reaction kinetics at the anode and methanol crossover. The oxidation of methanol is composed of a series of successive reactions creating formaldehyde and formic acid as intermediates that contribute to slow reaction rates and decreased cell voltage. Currently, the investigation of new anode catalysts to improve oxidation reaction rates is an active area of research as it applies to the methanol fuel cell. Surprisingly, there are very limited reports on nanostructured membranes, which are rather simple to manufacture with different tuneable compositions and are expected to allow only the proton permeation but not the methanol due to their molecular sizing effects and affinity to the membrane surface. We have developed a nanostructured fuel cell membrane from polydimethyl siloxane rubber (PDMS), ethylene methyl co-acrylate (EMA) and multi-walled carbon nanotubes (MWNTs). The effect of incorporating different proportions of f-MWNTs in polymer membrane has been studied. The introduction of f-MWNTs in polymer matrix modified the polymer structure, and therefore the properties of the device. The proton conductivity, measured by an AC impedance technique using open-frame and two-electrode cell and methanol permeability of the membranes was found to be dependent on the f-MWNTs loading. The proton conductivity of the membranes increases with increase in concentration of f-MWNTs concentration due to increased content of conductive materials. Measured methanol permeabilities at 60oC were found to be dependant on loading of f-MWNTs. The methanol permeability decreased from 1.5 x 10-6 cm²/s for pure film to 0.8 x 10-7 cm²/s for a membrane containing 0.5wt % f-MWNTs. This is due to increasing proportion of f-MWNTs, the matrix becomes more compact. From DSC melting curves it is clear that the polymer matrix with f-MWNTs is thermally stable. FT-IR studies show good interaction between EMA and f-MWNTs. XRD analysis shows good crystalline behavior of the prepared membranes. Significant cost savings can be achieved when using the blended films which contain less expensive polymers.

Keywords: fuel cell membrane, polydimethyl siloxane rubber, carbon nanotubes, proton conductivity, methanol permeability

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Authors: Kaining Zhang, Lang Chen, Danyang Liu, Jianying Lu, Kun Yang, Junying Wu

Abstract:

In order to solve the problem of a large amount of simulation and limited simulation scale in the first-principle molecular dynamics simulation of energetic material detonation reaction, we established an artificial intelligence model for analyzing and predicting the detonation reaction mechanism of CL-20 based on the first-principle molecular dynamics simulation of the multiscale shock technique (MSST). We employed principal component analysis to identify the dominant charge features governing molecular reactions. We adopted the K-means clustering algorithm to cluster the reaction paths and screen out the key reactions. We introduced the neural network algorithm to construct the mapping relationship between the charge characteristics of the molecular structure and the key reaction characteristics so as to establish a calculation method for predicting detonation reactions based on the charge characteristics of CL-20 and realize the rapid analysis of the reaction mechanism of energetic materials.

Keywords: energetic material detonation reaction, first-principle molecular dynamics simulation of multiscale shock technique, neural network, CL-20

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Authors: Olamide Shittu, Olayinka Akanle

Abstract:

Value Chain Analysis is a common method of examining the stages involved in the production of a product, mostly agricultural produce, from the input to the consumption stage including the actors involved in each stage. However, the Functional Institutional Analysis is the most common method in literature employed to analyze the value chain of products. Apart from studying the relatively neglected phenomenon of recycled polymer products in Lagos Metropolis, this paper adopted the use of social network analysis to attempt a grounded theory of the nature of social network that exists among the value chain actors of the subject matter. The study adopted a grounded theory approach by conducting in-depth interviews, administering questionnaires and conducting observations among the identified value chain actors of recycled polymer products in Lagos Metropolis, Nigeria. The thematic analysis of the collected data gave the researchers the needed background to formulate a truly representative network of the social relationships among the value chain actors of recycled polymer products in Lagos Metropolis. The paper introduced concepts such as Transient and Perennial Social Ties to explain the observed social relations among the actors. Some actors have more social capital than others as a result of the structural holes that exist in their triad network. Households and resource recoverers are at disadvantaged position in the network as they have high constraints in their relationships with other actors. The study attempted to provide a new perspective in the study of the environmental value chain by analyzing the network of actors to bring about policy action points and improve recycling in Nigeria. Government and social entrepreneurs can exploit the structural holes that exist in the network for the socio-economic and sustainable development of the state.

Keywords: recycled polymer products, social network analysis, social ties, value chain analysis

Procedia PDF Downloads 373

Authors: Agnė Kairyte, Saulius Vaitkus

Abstract:

The gradual depletion of fossil feedstock and growing environmental concerns attracted extensive attention to natural resources due to their low cost, high abundance, renewability, sustainability, and biodegradability. Lignin is a significant by-product of the pulp and paper industry, having unique functional groups. Recently it became interesting for the manufacturing of high value-added products such as polyurethane and polyisocyanurate foams. This study focuses on the development of high-performance polyurethane foams with various amounts of lignin as a filler. It is determined that the incorporation of lignin as a filler material results in brittle and hard products due to the low molecular mobility of isocyanates and the inherent stiffness of lignin. Therefore, the current study analyses new techniques and possibilities of liquid glass infusion onto the surface of lignin particles to reduce the negative aspects and improve the performance characteristics of the modified foams. The foams modified with sole lignin and liquid glass-infused lignin had an apparent density ranging from 35 kg/m3 to 45 kg/m3 and closed-cell content (80–90%). The incorporation of sole lignin reduced the compressive and tensile strengths and increased dimensional stability and water absorption, while the contrary results were observed for polyurethane foams with liquid glass-infused lignin particles. The effect on rheological parameters of lignin and liquid glass infused lignin modified polyurethane premixes and morphology of polyurethane foam products were monitored to optimize the conditions and reveal the significant influence of the interaction between particles and polymer matrix.

Keywords: filler, lignin waste, liquid glass, polymer matrix, polyurethane foam, sustainability

Procedia PDF Downloads 176