Search results for: RAFT polymerization

Authors: Houria Hamitouche, Abdellah Khelifa

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Quaternary ammonium salts (QACs) are the most common cationic surfactants of natural or synthetic origin usually. They possess one or more hydrophobic hydrocarbon chains and hydrophilic cationic group. In fact, the hydrophobic groups are derived from three main sources: petrochemicals, vegetable oils, and animal fats. These QACs have attracted the attention of chemists for a long time, due to their general simple synthesis and their broad application in several fields. They are important as ingredients of cosmetic products and are also used as corrosion inhibitors, in emulsion polymerization and textile processing. Within biological applications, QACs show a good antimicrobial activity and can be used as medicines, gene delivery agents or in DNA extraction methods. The 2004 worldwide annual consumption of QACs was reported as 500,000 tons. The petroleum product is considered a true reservoir of a variety of chemical species, which can be used in the synthesis of quaternary ammonium salts. The purpose of the present contribution is to synthesize the quaternary ammonium salts by Menschutkin reaction, via chloromethylation/quaternization sequences, from Algerian petroleum products namely: reformate, light naphtha and kerosene and characterize.

Keywords: quaternary ammonium salts, reformate, light naphtha, kerosene

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Authors: Maryam Ghareh Chaei, Masuzyo Chilwesa, Ali Akbarnezhad, Arnaud Castel, Redmond Lloyd, Stephen Foster

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Cement hydration is an exothermic chemical reaction generally leading to a rise in concrete’s temperature. This internal heating of concrete may, in turn, lead to a temperature difference between the hotter interior and the cooler exterior of concrete and thus differential thermal stresses in early ages which could be particularly significant in mass concrete. Such differential thermal stresses result in early age thermal cracking of concrete when exceeding the concrete’s tensile strength. The extent of temperature rise and thus early age differential thermal stresses is generally a function of hydration heat intensity, thermal properties of concrete and size of the concrete element. Both hydration heat intensity and thermal properties of concrete may vary considerably with variations in the type cementitious materials and other constituents. With this in mind, partial replacement of cement with supplementary cementitious materials including fly ash and ground granulated blast furnace slag has been investigated widely as an effective strategy to moderate the heat generation rate and thus reduce the risk of early age thermal cracking of concrete. However, there is currently a lack of adequate literature on effect of partial replacement of cement with fly ash and/or ground granulated blast furnace slag on the thermal properties of concrete. This paper presents the results of an experimental conducted to evaluate the effect of addition of varying percentages of fly ash (up to 60%) and ground granulated blast furnace slag (up to 50%) on the heat capacity and thermal conductivity of early age cement paste. The water to cementitious materials ratio is kept 0.45 for all the paste samples. The results of the experimental studies were used in a numerical analysis performed using Comsol Multiphysics to highlight the effects of variations in the thermal properties of concrete, due to variations in the type of aggregate and content of supplemenraty cementitious materials, on the risk of early age cracking of a concrete raft.

Keywords: thermal diffusivity, early age thermal cracking, concrete, supplementary cementitious materials

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Authors: Naruphorn Dararatana, Farzad Seidi, Daniel Crespy

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Protection of metals is a critical issue in industry. The annual cost of corrosion in the world is estimated to be about 2.5 trillion dollars and continuously increases. Therefore, there is a need for developing novel protection approaches to improve corrosion protection. We designed and synthesized smart polymer/corrosion inhibitor conjugates as new generations of corrosion protecting materials. Firstly, a polymerizable acrylate derivative of 8-hydroxyquinoline (8HQ), an effective corrosion inhibitor, containing acid-labile β-thiopropionate linkage was prepared in three steps. Then, it was copolymerized with ethyl acrylate in the presence of 1,1′-azobis(cyclohexanecarbonitrile) (ABCN) by radical polymerization. Nanoparticles with an average diameter of 140 nm were prepared from the polymer conjugate by the miniemulsion-solvent evaporation process. The release behavior of 8HQ from the the nanoparticles was studied in acidic (pH 3.5) and neutral media (pH 7.0). The release profile showed a faster release of 8HQ in acidic medium in comparison with neutral medium. Indeed 100% of 8HQ was released after 14 days in acidic medium whereas only around 15% of 8HQ was released during the same period at neutral pH. Therefore, the polymer conjugate nanoparticles are suitable materials as additives or to form coatings on metal substrates for corrosion protection.

Keywords: Corrosion inhibitor, 8-Hydroxyquinoline, Polymer conjugated, β-Thiopropionate

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Authors: M. Nagaraja, H. M. Mahesh, K. Rajanna, M. Z. Kurian, J. Manjanna

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In recent years, composites of conjugated polymers with fullerenes (C60) has attracted considerable scientific and technological attention in the field of organic electronics because they possess a novel combination of electrical, optical, ferromagnetic, mechanical and sensor properties. These properties represent major advances in the design of organic electronic devices. With the addition of C60 in the conjugated polymer matrix, the primary photo-excitation of the conjugated polymer undergoes an ultrafast electron transfer, and it has been demonstrated that fullerene molecules may serve as efficient electron acceptors in polymeric solar cells. The present paper includes the systematic studies on the effect of electrical, structural and sensor properties of polyaniline (PANI) matrix by the presence of C60. Polyaniline-fullerene (PANI/C60) composite is prepared by the introduction of fullerene during polymerization of aniline with ammonium persulfate and dodechyl benzene sulfonic acid as oxidant and dopant respectively. FTIR spectroscopy indicated the interaction between PANI and C60. X-ray diffraction proved the formation of a PANI/C60 complex. SEM image shows the highly branched chain structure of the PANI in the presence of C60. The conductivity of the PANI/C60 was found to be more than ten orders of magnitude over the pure PANI.

Keywords: conductivity, fullerene, nanocomposite, polyaniline

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Authors: Paula C Arroyo, Norma A Sánchez, Mikhail Tlenkopatchev

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The continuous growth in population has resulted in an increment in road construction. The road construction requires more lasting and resistant pavements. Among the different applications of polymers, the reinforcement of pavements throw the modification of asphalt has demonstrated to be an area of special interest for new polymers. The modified asphalt should exhibit a considerable good performance, good elastic properties and an increment in the performance grade (PG). Some of the current polymers used in asphalt are styrene butadiene styrene (SBS), poly(n-butyl methacrylate)-(glycidyl methacrylate) and ethylene-vinyl acetate EVA. The goal of this study was to synthesize low molecular weight (2,000 – 150,000 D) telechelic polymers to be applied at low concentrations in asphalt in order to modify its rheological properties and make it more resistant and durable. The telechelic polymers were obtained from different molar relationships between tensioned and functionalized olefins by ring opening metathesis polymerization (ROMP) and cross metathesis (CR). The synthesis was carried out under inert conditions with Grubbs second generation catalyst. The reaction efficiency was superior to 96% and telechelic polymers were characterized. The telechelic polymers were used to modify asphalt and the rheological properties of the modified asphalt were evaluated finding that at low concentrations (1%) the PG increased in one or two degrees.

Keywords: asphalt polymers, metathesis polymers, telechelic polymers, modified asphalt

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Authors: Metinee Kawsomboon, Thanchanok Tulaphol, Manit Nithitanakul, Jitima Preechawong

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PolyHIPE is a porous polymeric material from polymerization of high internal phase emulsion (HIPE) which contains 74% of internal phase (disperse phase) and 26 % of external phase (continues phase). Typically, polyHIPE was prepared from styrene (S) and divinylbenzene (DVB) and they were used in various kind of applications such as catalyst support, gas adsorption, separation membranes, and tissue engineering scaffolds due to high specific surface areas, high porousity, ability to adsorb large quantities of liquid. In this research, cellulose from water hyacinth (Eichornia Crassipes), an aquatic plant that grows and spread rapidly in rivers and waterways in Thailand was added into polyHIPE to increase mechanical property of polyHIPE. Addition of unmodified and modified cellulose to poly(S/DVB)HIPE resulting in a decrease in the surface area and thermal stability of the resulting materials. Mechanical properties of the resulting polyHIPEs filled with both unmodified and modified cellulose exhibited higher compressive strength and Young’s modulus by 146.3% and 162.5% respectively, compared to unfilled polyHIPEs. The water adsorption capacity of filled polyHIPE was also improved.

Keywords: porous polymer, PolyHIPE, cellulose, surface modification, water hyacinth

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Authors: Erna Astuti, Supranto, Rochmadi, Agus Prasetya

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Biodiesel production from vegetable oil will produce glycerol as by-product about 10% of the biodiesel production. The amount of glycerol that was produced needed alternative way to handling immediately so as to not become the waste that polluted environment. One of the solutions was to process glycerol to polyglycidyl nitrate (PGN). PGN is synthesized from glycerol by three-step reactions i.e. nitration of glycerol, cyclization of 13- dinitroglycerine and polymerization of glycosyl nitrate. Optimum condition of nitration of glycerol with nitric acid has not been known. Thermodynamic feasibility should be done before run experiments in the laboratory. The aim of this study was to determine the parameters those affect nitration of glycerol and nitric acid and chose the operation condition. Many parameters were simulated to verify its possibility to experiment under conditions which would get the highest conversion of 1, 3-dinitroglycerine and which was the ideal condition to get it. The parameters that need to be studied to obtain the highest conversion of 1, 3-dinitroglycerine were mol ratio of nitric acid/glycerol, reaction temperature, mol ratio of glycerol/dichloromethane and pressure. The highest conversion was obtained in the range of mol ratio of nitric acid /glycerol between 2/1 – 5/1, reaction temperature of 5-25o C and pressure of 1 atm. The parameters that need to be studied further to obtain the highest conversion of 1.3 DNG are mol ratio of nitric acid/glycerol and reaction temperature.

Keywords: Nitration, glycerol, thermodynamic, optimum condition

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Authors: Nuray Yılmaz Baran

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The conjugated Schiff base polymers which are also called as polyazomethines are promising materials for various applications due to their good thermal resistance semiconductive, liquid crystal, fiber forming, nonlinear optical outstanding photo- and electroluminescence and antimicrobial properties. In recent years, polyazomethines have attracted intense attention of researchers especially due to optoelectronic properties which have made its usage possible in organic light emitting diodes (OLEDs), solar cells (SCs), organic field effect transistors (OFETs), and photorefractive holographic materials (PRHMs). In this study, N-(pyridin-2-ylmethylidene)pyridin-2-amine Schiff base was synthesized from condensation reaction of 2-aminopyridine with 2-pyridine carbaldehyde. Polymerization of Schiff base was achieved by polycondensation reaction using NaOCl oxidant in methanol medium at various time and temperatures. The synthesized Schiff base monomer and polymer (Poly(N-(pyridin-2-ylmethylidene)pyridin-2-amine)) was characterized by UV-vis, FT-IR, 1H-NMR, XRD techniques. Molecular weight distribution and the surface morphology of the polymer was determined by GPC and SEM-EDAX techniques. Thermal behaviour of the monomer and polymer was investigated by TG/DTG, DTA and DSC techniques.

Keywords: polyazomethines, polycondensation reaction, Schiff base polymers, thermal stability

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Authors: Maryam Taheri, Mehdi Jahanfar, Kenji Ogino

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Fast drying traffic marking paint comprising a solvent-borne resin, a filler, a pigment and a solvent that is especially suitable for colder ambient (temperatures near freezing) applications, where waterborne traffic paint cannot be used. Acrylic resins based on methyl methacrylate, butyl acrylate, acrylic acid, and styrene were synthesized in different solvents using organic peroxide initiators such as peroxyester, peroxyketal, dialkylperoxide and azo. After polymerization, the molecular weight (Mw), polydispersity index= PDI (Mw/Mn), viscosity, total residual monomer and APHA color were evaluated and results of organic peroxide initiators (t- butyl and t-amyl derivatives) were also compared with the azo initiator. The Mw, PDI, viscosity, mass conversation and APHA color of resins with t-amyl derivatives of organic peroxide initiators are very proper. The results of the traffic marking paints test such as non-volatile matter, no- pick- up time, hiding power, resistance to wear and water resistance study that produced with these resins also confirm this.

Keywords: fast drying traffic marking paint, acrylic resin, organic peroxide initiator, peroxyester, peroxyketal, dialkylperoxide and azo initiator

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Authors: Ali Bayram, Burak Uz, Ilhan Dolasik, Remzi Yiğiter

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The GABARAP (GABAA-receptor-associated protein) family consists of GABARAP, GABARAPL1 (GABARAP-like 1) and GABARAPL2 (GABARAP-like 2). GABARAPL1, like GABARAP, was described to interact with both GABAA receptor and tubulin, and to be involved in intracellular GABAA receptor trafficking and promoting tubulin polymerization. In addition, GABARAPL1 is thought to be involved in various physiological (autophagosome closure, regulation of circadian rhythms) and/or pathological mechanisms (cancer, neurodegeneration). Alzheimer’s disease (AD) is a progressive neuro degenerative disorder characterized with impaired cognitive functions. Disruption of the GABAergic neuro transmission as well as cholinergic and glutamatergic interactions, may also be involved in the pathogenesis of AD. GABARAPL1 presents a regulated tissue expression and is the most expressed gene among the GABARAP family members in the central nervous system. We, herein, conducted a study to investigate the GABARAPL1 mRNA expression levels in patients with AD. 50 patients with AD and 49 control patients were enrolled to the present study. Messenger RNA expression levels of GABARAPL1 were detected by real-time polymerase chain reaction. GABARAPL1 mRNA expression in AD / control patients was 0,495 (95% confidence interval: 0,404-0,607), p= 0,00000002646. Reduced activity of GABARAPL1 gene might play a role, at least partly, in the pathophysiology of AD.

Keywords: Alzheimer’s disease, GABARAPL1, mRNA expression, RT-PCR

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Authors: L. Bouzina, A. Bensafi, M. Duval, C. Mathis, M. Rawiso

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We study the stability and structural properties of mixtures of model nanoparticles and non-adsorbing polymers in the 'protein limit', where the size of polymers exceeds the particle size substantially. We have synthesized in institute (Charles Sadron Strasbourg) model nanoparticles by coating fullerene C60 molecules with low molecular weight polystyrene (PS) chains (6 PS chains with a degree of polymerization close to 25 and 50 are grafted on each fullerene C60 molecule. We will present a Small Angle Neutron scattering (SANS) study of Tetrahydrofuran (THF) solutions involving long polystyrene (PS) chains and fullerene (C60) nanoparticles. Long PS chains and C60 nanoparticles with different arm lengths were synthesized either hydrogenated or deuteriated. They were characterized through Size Exclusion Chromatography (SEC) and Quasielastic Light Scattering (QLS). In this way, the solubility of the C60 nanoparticles in the usual good solvents of PS was controlled. SANS experiments were performed by use of the contrast variation method in order to measure the partial scattering functions related to both components. They allow us to obtain information about the dispersion state of the C60 nanoparticles as well as the average conformation of the long PS chains. Specifically, they show that the addition of long polymer chains leads to the existence of an additional attractive interaction in between soft nanoparticles.

Keywords: fulleren nanoparticles, polymer, small angle neutron scattering, solubility

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Authors: V. Naga Sravan Kumar Varma, H. G. Shivakumar

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The aim of the study was to develop dual sensitive poly (N-isopropylacrylamide-co-acrylic acid) (PNA) nanogels(NGs) and studying its applications for Anti-Cancer therapy. NGs were fabricated by free radical polymerization using different amount of N-isopropylacrylamide and acrylic acid. A study for polymer composition over the effect on LCST in different pH was evaluated by measuring the absorbance at 500nm using UV spectrophotometer. Further selected NG’s were evaluated for change in hydrodynamic diameters in response to pH and temperature. NGs which could sharply respond to low pH value of cancer cells at body temperature were loaded with Fluorouracil (5-FU) using equilibrium swelling method and studied for drug release behaviour in different pH. A significant influence of NGs polymer composition over pH dependent LCST was observed. NGs which were spherical with an average particle size of 268nm at room temperature, shrinked forming an irregular shape when heated above to their respective LCST. 5FU loaded NGs did not intervene any difference in pH depended LCST behaviour of NGs. The in vitro drug release of NGs exhibited a pH and thermo-dependent control release. The cytoxicity study of blank carrier to MCF7 cell line showed no cytotoxicity. The results indicated that PNA NGs could be used as a potential drug carrier for anti-cancer therapy.

Keywords: pH and thermo-sensitive, nanogels, P(NIPAM-co-AAc), anti-cancer, 5-FU

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Authors: Lawrence Mzukisi Madikizela, Luke Chimuka

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Removal of organics from wastewater offers a better water quality, therefore, the purpose of this work was to investigate the use of molecularly imprinted polymer (MIP) for the elimination of selected organics from water. A multi-template MIP for the adsorption of naproxen, ibuprofen and diclofenac was synthesized using a bulk polymerization method. A MIP was synthesized at 70°C by employing 2-vinylpyridine, ethylene glycol dimethacrylate, toluene and 1,1’-azobis-(cyclohexanecarbonitrile) as functional monomer, cross-linker, porogen and initiator, respectively. Thermogravimetric characterization indicated that the polymer backbone collapses at 250°C and scanning electron microscopy revealed the porous and roughness nature of the MIP after elution of templates. The performance of the MIP in aqueous solutions was evaluated by optimizing several adsorption parameters. The optimized adsorption conditions were 50 mg of MIP, extraction time of 10 min, a sample pH of 4.6 and the initial concentration of 30 mg/L. The imprinting factors obtained for naproxen, ibuprofen and diclofenac were 1.25, 1.42, and 2.01, respectively. The order of selectivity for the MIP was; diclofenac > ibuprofen > naproxen. MIP showed great swelling in water with an initial swelling rate of 2.62 g/(g min). The synthesized MIP proved to be able to adsorb naproxen, ibuprofen and diclofenac from contaminated deionized water, wastewater influent and effluent.

Keywords: adsorption, molecularly imprinted polymer, multi template, pharmaceuticals

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Authors: M. A. Karakassides, M. Baikousi, A. Kouloumpis, D. Gournis

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Nanocomposites of Carbon Nanorods (CNRs) with Polystyrene (PS), have been synthesized successfully by means of in situ polymerization process and characterized. Firstly, carbon nanorods with graphitic structure were prepared by the standard synthetic procedure of CMK-3 using MCM-41 as template, instead of SBA-15, and sucrose as carbon source. In order to create an organophilic surface on CNRs, two parts of modification were realized: surface chemical oxidation (CNRs-ox) according to the Staudenmaier’s method and the attachment of octadecylamine molecules on the functional groups of CNRs-ox (CNRs-ODA The nanocomposite materials of polystyrene with CNRs-ODA, were prepared by a solution-precipitation method at three nanoadditive to polymer loadings (1, 3 and 5 wt. %). The as derived nanocomposites were studied with a combination of characterization and analytical techniques. Especially, Fourier-transform infrared (FT-IR) and Raman spectroscopies were used for the chemical and structural characterization of the pristine materials and the derived nanocomposites while the morphology of nanocomposites and the dispersion of the carbon nanorods were analyzed by atomic force and scanning electron microscopy techniques. Tensile testing and thermogravimetric analysis (TGA) along with differential scanning calorimetry (DSC) were also used to examine the mechanical properties and thermal stability -glass transition temperature of PS after the incorporation of CNRs-ODA nanorods. The results showed that the thermal and mechanical properties of the PS/ CNRs-ODA nanocomposites gradually improved with increasing of CNRs-ODA loading.

Keywords: nanocomposites, polystyrene, carbon, nanorods

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Authors: Rahul Warmoota, Aditya Bhardwaj, Steffy Angural, Monika Rana, Sunena Jassal, Neena Puri, Naveen Gupta

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Seafood processing generates large volumes of waste products such as skin, heads, tails, shells, scales, backbones, etc. Pollution due to conventional methods of seafood waste disposal causes negative implications on the environment, aquatic life, and human health. Moreover, these waste products can be used for the production of high-value products which are still untapped due to inappropriate management. Paenibacillus sp. AD is known to act on chitinolytic and proteinaceous waste and was explored for its potential to degrade various types of seafood waste in solid-state fermentation. Effective degradation of seafood waste generated from a variety of sources such as fish scales, crab shells, prawn shells, and a mixture of such wastes was observed. 30 to 40 percent degradation in terms of decrease in the mass was achieved. Along with the degradation, chitinolytic and proteolytic enzymes were produced, which can have various biotechnological applications. Apart from this, value-added products such as chitin oligosaccharides and peptides of various degrees of polymerization were also produced, which can be used for various therapeutic purposes. Results indicated that Paenibacillus sp. AD can be used for the development of a process for the infield degradation of seafood waste.

Keywords: chitin, chitin-oligosaccharides, chitinase, protease, biodegradation, crab shells, prawn shells, fish scales

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Authors: Z. Khalifa, K. M. Hassan, M. Abdel Azzem

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Potential strategies for deriving useful forms of renewable high density energy from abundant energy stored in carbohydrates is direct conversion of glucose (GLU) to electrical power. A three novel versatile modified electrodes, synthesized by electrochemical polymerization of organic monomers on glassy carbon electrodes (GC), have been developed for biofuel cells results in stable and long-term power production. Electrocatalytic oxidation of glucose in alkaline solution on conducting polymers electrodes modified by incorporation of Ni nanoparticles (NiNPs) onto poly(1,5-aminonaphthalene) (1,5-PDAN), poly(1,8-diaminonaphthalene) (1,8-PDAN) and poly(1-amino-2-methyl-9,10-anthraquinone) (PAMAQ) was investigated. The electrocatalytic oxidation of glucose at NiNPs-modified 1,5-PDAN/GC, 1,8-PDAN/GC and PAMAQ/GC electrodes has been studied using voltammetry technique. The PDAN electrodes show a slight activity in the potential of interest. The prepared NiNPs/PAMAQ/GC catalyst showed a very interesting catalytic activity that was nicely comparable to the NiNPs/1,5-PDAN/GC, NiNPs/1,8-PDAN/GC modified electrodes. In advance, both shows a significant more catalytic activity compared to the reported data for electrodes for glucose electrocatalytic oxidation.

Keywords: biofuel cells, glucose oxidation, electrocatalysis, nanoparticles and modified electrodes

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Authors: Esra Cansever Mutlu, Muge Sennaroglu Bostan, Fatemeh Bahadori, Ebru Toksoy Oner, Mehmet S. Eroglu

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Paclitaxel is used in treatment of different cancer types mainly breast, ovarian, lung and Kaposi’s sarcoma. It is poorly soluble in water; therefore, currently used formulations tremendously show side-effects and high toxicity. Encapsulation of the drug in a nano drug carrier which causes both reducing side effects and increasing drug activity is a desired new approach for the nano-medicine to target the site of cancer. In this study, synthesis of a novel nano paclitaxel formulation made of a new amphiphilic monomer was followed by the investigation of its pharmacological properties. UV radical polymerization was carried out by using the monomer Lecithin-2-Acrylamido-2-methylpropane (L-AMPS) and the drug-spacer, to obtain sterically high stabilized, biocompatible and biodegradable phospholipid nanoparticles, in which the drug paclitaxel (Pxl) was encapsulated (NanoPxl). Particles showed high drug loading capacity (68%) and also hydrodynamic size less than 200 nm with slight negative surface charge. The drug release profile was obtained and in vitro cytotoxicity test was performed on MCF-7 cell line. Consequently, these data indicated that paclitaxel loaded Lecithin-AMPS/PCL-MAC nanoparticles can be considered as a new, safe and effective nanocarrier for the treatment of breast cancer.

Keywords: paclitaxel, nanoparticle, drug delivery, L-AMPS

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Authors: Alaaddin Cerit, Suheyla Kocaman, Ulku Soydal

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During the past two decades, photoinitiated polymerization has been attracting a great interest in terms of scientific and industrial activity. The wide recognition of UV treatment in the polymer industry results not only from its many practical applications but also from its advantage for low-cost processes. Unlike most thermal curing systems, radiation-curable systems can polymerize at room temperature without additional heat, and the curing is completed in a very short time. The advantage of cationic UV technology is that post-cure can continue in the ‘dark’ after radiation. In this study, bio-based acrylated epoxidized soybean oil (AESO) was cured with UV radiation using radicalic photoinitiator Irgacure 184. Triarylsulphonium hexafluoroantimonate was used as cationic photoinitiator for curing of 3,4-epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate. The effect of curing time and the amount of initiators on the curing degree and thermal properties were investigated. The thermal properties of the coating were analyzed after crosslinking UV irradiation. The level of crosslinking in the coating was evaluated by FTIR analysis. Cationic UV-cured coatings demonstrated excellent adhesion and corrosion resistance properties. Therefore, our study holds a great potential with its simple and low-cost applications.

Keywords: acrylated epoxidized soybean oil, epoxy carboxylate, thermal properties, uv-curing

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Authors: Son Nguyen, Thanh Van, Ly Le

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Ca2+ - dependent calmodulin kinase IIa (CaMKIIa) has recently been found to associate with protein tau missorting and polymerization in Alzheimer’s Disease (AD). However, there has yet inhibitors targeting CaMKIIa to investigate the correlation between CaMKIIa activity and protein tau polymer formation. Combining virtual screening and our statistics in binding contribution scoring function (BCSF), we rationally identified potential compounds that bind to specific CaMKIIa active site and specificity-affinity distribution of the ligand within the active site. Using molecular dynamics simulation, we identified structural stability of CaMKIIa and potent inhibitors, and site-directed bonding, separating non-specific and specific molecular interaction features. Despite of variation in confirmation of simulation time, interactions of the potent inhibitors were found to be strongly associated with the unique chemical features extracted from molecular binding poses. In addition, competitive inhibitors within CaMKIIa showed an important molecular recognition pattern toward specific ligand features. Our approach combining virtual screening with BCSF may provide an universally applicable method for precise identification in the discovery of compounds.

Keywords: Alzheimer’s disease, Ca 2+ -dependent calmodulin kinase IIa, protein tau, molecular docking

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Authors: Vishal Kumar Gupta

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Purpose: This study has been undertaken to develop novel pH sensitive interpenetrating network hydrogel beads. Methods: The pH sensitive PAAM-g-Guar gum copolymer was synthesized by free radical polymerization followed by alkaline hydrolysis. Beads of guar gum-grafted-polyacrylamide and sodium Carboxy methyl cellulose (Na CMC) loaded with Pantoprazole sodium were prepared and evaluated for pH sensitivity, swelling properties, drug entrapment efficiency and in vitro drug release characteristics. Seven formulations were prepared for the drug with varying polymer and cross linker concentrations. Results: The grafting and alkaline hydrolysis reactions were confirmed by FT-IR spectroscopy. Differential scanning calorimetry was carried out to know the compatibility of encapsulated drug with the polymers. Scanning electron microscopic study revealed that the IPN beads were spherical. The entrapment efficiency was found to be in the range of 85-92%. Particle size analysis was carried out by optical microscopy. As the pH of the medium was changed from 1.2 to 7.4, a considerable increase in swelling was observed for all beads. Increase in the copolymer concentration showed sustained the drug release up to 12 hrs. Drug release from the beads followed super case II transport mechanism. Conclusion: It was concluded that guar gum-acrylamide beads, cross-linked with aluminum chloride offer an opportunity for controlled drug release of pantoprazole sodium.

Keywords: IPN, hydrogels, DSC, SEM

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Authors: E. Erdem, M. Şahin, M. Saçak

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Smectite is a layered silicate and modified with alkyl ammonium salts to make both the hydrophilic silicate surfaces organophilic, and to expand the clay layers. Thus, a nanocomposite structure can be formed enabling to enter various types of polymers between the layers. In this study, Na-smectite crystals were prepared by purification of bentonite. Benzyltributylammonium bromide (BTBAB) was used as a swelling agent. The mixing time and additive concentration were changed during the swelling process. It was determined that the 4 h of mixing time and 0.2 g of BTBAB were sufficient and the usage of higher amounts of salt did not increase the interlayer space between the clay layers. Then, the conductive poly(o-toluidine) (POT)/smectite nanocomposite was prepared in the presence of swollen Na-smectite using ammonium persulfate (APS) as oxidant in aqueous acidic medium. The POT content and conductivity of the prepared nanocomposite were systematically investigated as a function of polymerization conditions such as the treatment time of swollen smectite in monomer solution and o-toluidine/APS mol ratio. The POT content and conductivity of nanocomposite increased with increasing monomer/oxidant mol ratio up to 1 and did not change at higher ratios. The maximum polymer yield and the highest conductivity value of the composite were 26.0% and 4.0×10-5 S/cm, respectively. The structural and morphological analyses of the POT/smectite nanocomposite were carried out by XRD, FTIR and SEM techniques, respectively.

Keywords: clay, composite, conducting polymer, poly(o-anisidine)

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Authors: Hyehyeon Lee, Juwon Yu, Juwon Kim, Raquel Kristina Leoni Tumiar, Taewon Kim, Juae Kim, Hongsuk Suh

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Recently, the development of photovoltaics is rapidly accelerating as one of green energy sources. So we designed pyrimidine-based polymers with 2-{3-[4,6-bis-(4-hexyl-thiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine (mPTP), as active layer substances for polymer solar cells. Polymers with push-pull types, mPTPBDT-12, mPTPBDT-EH, mPTPBDTT-EH and mPTPTTI, are comprised of electron pushing unit using benzo[1,2-b;3,4-b’]dithiophene (BDT) or 4,8-bis(5-thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene (BDTT) or 6-(2-thienyl)-4H-thieno[3,2-b]indole(TTI) and electron pulling unit using mPTP. The device including mPTPTTI-12 indicated a VOC of 0.67 V, a JSC of 2.16 mA/cm², and a fill factor (FF) of 0.30, giving a power conversion efficiency (PCE) of 0.43%. The device including mPTPBDT-EH indicated a VOC of 0.56 V, a JSC of 2.64 mA/cm², and an FF of 0.30, giving a PCE of 0.44%. The device including mPTPBDTT-EH indicated a VOC of 0.44 V, a JSC of 2.45 mA/cm², and an FF of 0.29, giving a PCE of 0.31%. The device including mPTPTTI indicated a VOC of 0.72 V, a JSC of 4.95 mA/cm², and an FF of 0.32, giving a PCE of 1.15%. Therefore, mPTPBDT-12, mPTPBDT-EH, mPTPBDTT-EH and mPTPTTI were fabricated by Stille polymerization. Their optical properties were measured and the results show that pyrimidine-based polymers have a great promise to act as donor of active layer.

Keywords: polymer solar cells, photovoltaics, thiazolopyridine, conjugated polymer

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Authors: Amal Aljohani, Ahmed Iraqi

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Emitting materials with thermally activated delayed fluorescence (TADF) properties as the third generation of organic light-emitting diodes (OLEDs) have received much attention as a modern class of highly efficient emitters because such properties enable the harvesting of both singlet and triplet excitons in EL applications without the doping with complexes of scarce noble metals such as platinum and iridium. Improved molecular design of TADF molecules and applied materials exhibiting internal electroluminescence (EL) with quantum efficiencies of nearly 100% has been achieved being. A2B3 hyperbranched polymers based on new derivatives containing silane core units serving as host materials for thermally activated delayed fluorescence (TADF) guest molecules have been designed and synthesized through several steps, including the synthesis of tetrakis(4-bromophenyl)silane, bis(4-(9H-carbazol-9-yl)phenyl)bis(4-bromophenyl)silane,bis(4-(9H-carbazol-9 yl)phenyl)bis(4-methoxyphenyl)silane and bis(4-(9H-carbazol-9-yl)phenyl)bis(4hydroxyphenyl)silane. This monomer has been used successfully used along with 1,1,1-tri-(p-tosyloxymethyl)-propane to prepare A2B3 hyperbranched polymers via step-growth polymerization. The characterization and the properties of these new host polymers will be presented and discussed in this contribution.

Keywords: carbazole, organic light emitting diodes, thermally activated delayed fluorescence, donor-acceptor, host and guest interaction

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Authors: Rajeev jain, D. C. Tiwari, Praveena Mishra

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Nano-composite of polypyrrole/multiwalled carbon nanotubes:mangenese oxide (PPy/MWCNT:MnO2) was electrochemically deposited on the surface of carbon cloth (CC). The nano-composite was structurally characterized by FTIR, SEM, TEM and UV-Vis studies. Nano-composite was also characterized by cyclic voltammetry (CV), current voltage measurements (I-V) and the optical band gaps of film were evaluated from UV-Vis absorption studies. The PPy/MWCNT:MnO2 nano-composite was used as anode in microbial fuel cell (MFC) for sewage waste water treatment, power and coulombic efficiency measurement. The prepared electrode showed good electrical conductivity (0.1185 S m-1). This was also supported by band gap measurements (direct 0.8 eV, indirect 1.3 eV). The obtained maximum power density was 1125.4 mW m-2, highest chemical oxygen demand (COD) removal efficiency was 93% and the maximum coulombic efficiency was 59%. For the first time PPy/MWCNT:MnO2 nano-composite for MFC prepared from nano-composite electrode having the potential for the use in MFC with good stability and better adhesion of microbes is being reported. The SEM images confirm the growth and development of microbe’s colony.

Keywords: carbon cloth, electro-polymerization, functionalization, microbial fuel cells, multi walled carbon nanotubes, polypyrrole

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Authors: Mookyada Mankrut, Manit Nithitanakul

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An increase in the amount of atmospheric carbon dioxide (CO2) resulting from anthropogenic CO2 emission has been a concerned problem so far. Adsorption using porous materials is feasible way to reduce the content of CO2 emission into the atmosphere due to several advantages: low energy consumption in regeneration process, low-cost raw materials and, high CO2 adsorption capacity. In this work, the porous poly(divinylbenzene) (poly(DVB)) support was synthesized under high internal phase emulsion (HIPE) polymerization then modified with polyethyleneimine (PEI) by using solution plasma process. These porous polymers were then used as adsorbents for CO2 adsorption study. All samples were characterized by some techniques: Fourier transform infrared spectroscopy (FT-IR), scanning electron spectroscopy (SEM), water contact angle measurement and, surface area analyzer. The results of FT-IR and a decrease in contact angle, pore volume and, surface area of PEI-loaded materials demonstrated that surface of poly(DVB) support was modified. In other words, amine groups were introduced to poly(DVB) surface. In addition, not only the outer surface of poly(DVB) adsorbent was modified, but also the inner structure as shown by FT-IR study. As a result, PEI-loaded materials exhibited higher adsorption capacity, comparing with those of the unmodified poly(DVB) support.

Keywords: polyHIPEs, CO2 adsorption, solution plasma process, high internal phase emulsion

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Authors: Hu-Cheng Weng, Jhen-Ting Huang, Chia-Chia Chang, An-Ya Lo

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In this study, carbon mesoporous material, CMK-3, was adopted as supporting material for electroactive polymerspolyaniline (PANI), polyaniline, for supercapacitor application, where hydroquinone (HQ) was integrated to enhance the redox reaction of PANI. The results show that the addition of PANI improves the capacitance of electrode from 89 F/g (CMK-3) to 337 F/g (PANI/CMK-3), the addition of HQ furtherly improves the capacitance to 463 F/g (PANI/CMK-3/HQ). The PANI provides higher energy density and also acts as binder of the electrode; the CMK-3 provides higher electron double layer capacitance EDLC and stabilize the polyaniline by its highly porosity. With the addition of HQ, the capacitance of PANI/CMK-3 was further enhanced. In-situ analyses including cyclic voltammetry (CV), chronopotentiometry (CP), electron impedance spectrum (EIS) analyses were applied for electrode performance examination. For materials characterization, the crystal structure, morphology, microstructure, and porosity were examined by X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscopy (TEM), and 77K N2 adsorption/desorption analyses, respectively. The effects of electrolyte pH value, PANI polymerization time, HQ concentration, and PANI/CMK-3 ratio on capacitance were discussed. The durability was also studied by long-term operation test. The results show that PANI/CMK-3/HQ with great potential for supercapacitor application. Finally, the potential of all-solid PANI/CMK-3/HQ based supercapacitor was successfully demonstrated.

Keywords: CMK3, PANI, redox electrolyte, solid supercapacitor

Procedia PDF Downloads 137

Authors: Irina Alexandra Paun, Mona Mihailescu, Marian Zamfirescu, Catalin Romeo Luculescu, Adriana Maria Acasandrei, Cosmin Catalin Mustaciosu, Roxana Cristina Popescu, Maria Dinescu

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A major concern in bone tissue engineering is to develop complex 3D architectures that mimic the natural cells environment, facilitate the cells growth in a defined manner and allow the flow transport of nutrients and metabolic waste. In particular, porous structures of controlled pore size and positioning are indispensable for growing human-like bone structures. Another concern is to monitor both the structures and the seeded cells with high spatial resolution and without interfering with the cells natural environment. The present approach relies on laser-based technologies employed for fabricating porous biomimetic structures that support the growth of osteoblast-like cells and for their non-invasive 3D imaging. Specifically, the porous structures were built by two photon polymerization –direct writing (2PP_DW) of the commercially available photoresists IL-L780, using the Photonic Professional 3D lithography system. The structures consist of vertical tubes with micrometer-sized heights and diameters, in a honeycomb-like spatial arrangement. These were fabricated by irradiating the IP-L780 photoresist with focused laser pulses with wavelength centered at 780 nm, 120 fs pulse duration and 80 MHz repetition rate. The samples were precisely scanned in 3D by piezo stages. The coarse positioning was done by XY motorized stages. The scanning path was programmed through a writing language (GWL) script developed by Nanoscribe. Following laser irradiation, the unexposed regions of the photoresist were washed out by immersing the samples in the Propylene Glycol Monomethyl Ether Acetate (PGMEA). The porous structures were seeded with osteoblast like MG-63 cells and their osteogenic potential was tested in vitro. The cell-seeded structures were analyzed in 3D using the digital holographic microscopy technique (DHM). DHM is a marker free and high spatial resolution imaging tool, where the hologram acquisition is performed non-invasively i.e. without interfering with the cells natural environment. Following hologram recording, a digital algorithm provided a 3D image of the sample, as well as information about its refractive index, which is correlated with the intracellular content. The axial resolution of the images went down to the nanoscale, while the temporal scales ranged from milliseconds up to hours. The hologram did not involve sample scanning and the whole image was available in one frame recorded going over 200μm field of view. The digital holograms processing provided 3D quantitative information on the porous structures and allowed a quantitative analysis of the cellular response in respect to the porous architectures. The cellular shape and dimensions were found to be influenced by the underlying micro relief. Furthermore, the intracellular content gave evidence on the beneficial role of the porous structures in promoting osteoblast differentiation. In all, the proposed laser-based protocol emerges as a promising tool for the fabrication and non-invasive imaging of porous constructs for bone tissue engineering. Acknowledgments: This work was supported by a grant of the Romanian Authority for Scientific Research and Innovation, CNCS-UEFISCDI, project PN-II-RU-TE-2014-4-2534 (contract 97 from 01/10/2015) and by UEFISCDI PN-II-PT-PCCA no. 6/2012. A part of this work was performed in the CETAL laser facility, supported by the National Program PN 16 47 - LAPLAS IV.

Keywords: biomimetic, holography, laser, osteoblast, two photon polymerization

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Authors: Talakokula Visalakshi

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Concrete is the most commonly used construction material across the globe, its usage is second only to water. It is prepared using ordinary Portland cement whose production contributes to 5-8% of total carbon emission in the world. On the other hand the fly ash by product from the power plants is produced in huge quantities is termed as waste and disposed in landfills. In order to address the above issues mentioned, it is essential that other forms of binding material must be developed in place of cement to make concrete. The geo polymer concrete is one such alternative developed by Davidovits in 1980’s. Geopolymer do not form calcium-silicate hydrates for matrix formation and strength but undergo polycondensation of silica and alumina precursors to attain structural strength. Its setting mechanism depends upon polymerization rather than hydration. As a result it is able to achieve its strength in 3-5 days whereas concrete requires about a month to do the same. The objective of this research is to assess the performance of geopolymer concrete under sulphate and acid attack. The assessment is done based on the experiments conducted on geopolymer concrete. The expected outcomes include that if geopolymer concrete is more durable than normal concrete, then it could be a competitive replacement option of concrete and can lead to significant reduction of carbon foot print and have a positive impact on the environment. Fly ash based geopolymer concrete offers an opportunity to completely remove the cement content from concrete thereby making the concrete a greener and future construction material.

Keywords: fly ash, geo polymer, geopolymer concrete, construction material

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Authors: D. E. Abulyazied, S. M. Mokhtar, A. M. Motawie

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Polymer blends represent an important class of materials in engineering applications. The incorporation of clay nanofiller may provide new opportunities for this type of materials to enhance their applications. This article reports on the effects of clay on the structure and properties of polymer blends nanocomposites, based on Polyvinyl chloride PVC and styrene co-maleic anhydride SMA blend. Modification of the Egyptian Bentonite EB was carried out using organo-modifier namely; octadecylamine ODA. Before the modification, the cation exchange capacity CEC of the EB was measured. The octadecylamine bentonite ODA-B was characterized using Fourier transform infrared Spectroscopy FTIR, X-Ray Diffraction XRD, and Transition Electron Microscope TEM. A blend of Polyvinyl chloride PVC and styrene co-maleic anhydride SMA (50:50) was prepared in Tetra Hydro Furan (THF). Then nanocomposites of PVC/SMA/ODA-B were prepared by solution intercalation polymerization from 0.50% up to 5% by weight of ODA-B. The nanocomposites are characterized by XRD, TEM. Thermal, nanoindentation, swelling and electrical properties of the nanocomposites were measured. The morphology of the nanocomposites showed that ODA-B achieved good dispersion in the PVC/SMA matrix. Incorporation of 0.5 %, 1%, 3% and 5% by weight nanoclay into the PVC/SMA blends results in an improvement in nanohardness of 16%, 76%, 92%, and 68% respectively. The elastic modulus increased from 4.59 GPa for unreinforced PVC/SMA blend to 6.30 GPa (37% increase) with the introduction of 3% by weight nanoclay. The cross-link density of the nanocomposites increases with increasing the content of ODA-B.

Keywords: PVC, SMA, nanocomposites, nanoindentation, organo-bentonite

Procedia PDF Downloads 371

Authors: Michal Natan, Ori Gutman, Shlomo Margel, Ehud Banin

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Biofilm formation is a serious problem in medical and industrial settings due to the increased resistance of these communities to killing compared to free-living bacteria. This has prompted the search for agents that can inhibit both bacterial growth and biofilm formation. In this study, N-halamine rechargeable nanoparticles (NPs) were synthesized by co-polymerization of the monomer methacryl amide and the cross-linker monomer N,N-methylene bisacryl amide, and were subsequently loaded with Cl+, using bleach. The chlorinated NPs exhibited remarkable stability to organic reagents. The antibacterial mechanism of the P(MAA-MBAA)-Cl NPs involved generation of reactive oxygen species (ROS) only upon exposure to organic media, but not upon incubation in water, suggesting a specific activation. Moreover, a unique interaction of the P(MAA-MBAA)-Cl NPs with Staphylococcus aureus bacteria but not with human cells was discovered, whereby these microorganisms were all specifically targeted and marked for destruction. Finally, in collaboration with Netafim Ltd. irrigation drippers containing the P(MAA-MBAA)-Cl were incubated in the field and were shown to prevent fouling on them for 5 months as opposed to the control drippers that exhibited substantial fouling. Further, the NPs offer recharging to the surface, thus providing long-lasting protection that does not exist in the products available today. Taken together, the results demonstrate the great potential of implementing the charged NPs in devices and surfaces to prevent bacterial growth.

Keywords: bacteria, biofilm, fouling, nanoparticles

Procedia PDF Downloads 198