Search results for: polymer composite
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3111

Search results for: polymer composite

1581 Absorption Kinetic and Tensile Mechanical Properties of Swollen Elastomer/Carbon Black Nanocomposites using Typical Solvents

Authors: F. Elhaouzi, H. Lahlali, M. Zaghrioui, I. El Aboudi A. BelfKira, A. Mdarhri

Abstract:

The effect of physico chemical properties of solvents on the transport process and mechanical properties in elastomeric nano composite materials is reported. The investigated samples are formed by a semi-crystalline ethylene-co-butyl acrylate polymer filled with hard spherical carbon black (CB) nano particles. The swelling behavior was studied by immersion the dried samples in selected solvents at room temperature during 2 days. For this purpose, two chemical compounds methyl derivatives of aromatic hydrocarbons of benzene, i.e. toluene and xylene, are used to search for the mass and molar volume dependence on the absorption kinetics. Mass gain relative to the mass of dry material at specific times was recorded to probe the absorption kinetics. The transport of solvent molecules in these filled elastomeric composites is following a Fickian diffusion mechanism. Additionally, the swelling ratio and diffusivity coefficient deduced from the Fickian law are found to decrease with the CB concentration. These results indicate that the CB nano particles increase the effective path length for diffusion and consequently limit the absorption of the solvent by occupation free volumes in the material. According to physico chemical properties of the two used solvents, it is found that the diffusion is more important for the toluene molecules solvent due to their low values of the molecular weight and volume molar compared to those for the xylene. Differential Scanning Calorimetry (DSC) and X-ray photo electron (XPS) were also used to probe the eventual change in the chemical composition for the swollen samples. Mechanically speaking, the stress-strain curves of uniaxial tensile tests pre- and post- swelling highlight a remarkably decrease of the strength and elongation at break of the swollen samples. This behavior can be attributed to the decrease of the load transfer density between the matrix and the CB in the presence of the solvent. We believe that the results reported in this experimental investigation can be useful for some demanding applications e.g. tires, sealing rubber.

Keywords: nanocomposite, absorption kinetics, mechanical behavior, diffusion, modelling, XPS, DSC

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1580 Electrocatalytic Enhancement Mechanism of Dual-Atom and Single-Atom MXenes-Based Catalyst in Oxygen and Hydrogen Evolution Reactions

Authors: Xin Zhao. Xuerong Zheng. Andrey L. Rogach

Abstract:

Using single metal atoms has been considered an efficient way to develop new HER and OER catalysts. MXenes, a class of two-dimensional materials, have attracted tremendous interest as promising substrates for single-atom metal catalysts. However, there is still a lack of systematic investigations on the interaction mechanisms between various MXenes substrates and single atoms. Besides, due to the poor interaction between metal atoms and substrates resulting in low loading and stability, dual-atom MXenes-based catalysts have not been successfully synthesized. We summarized the electrocatalytic enhancement mechanism of three MXenes-based single-atom catalysts through experimental and theoretical results demonstrating the stronger hybridization between Co 3d and surface-terminated O 2p orbitals, optimizing the electronic structure of Co single atoms in the composite. This, in turn, lowers the OER and HER energy barriers and accelerates the catalytic kinetics in the case of the Co@V2CTx composite. The poor interaction between single atoms and substrates can be improved by a surface modification to synthesize dual-atom catalysts. The synergistic electronic structure enhances the stability and electrocatalytic activity of the catalyst. Our study provides guidelines for designing single-atom and dual-atom MXene-based electrocatalysts and sheds light on the origins of the catalytic activity of single-atoms on MXene substrates.

Keywords: dual-atom catalyst, single-atom catalyst, MXene substrates, water splitting

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1579 Investigation of Mode II Fracture Toughness in Orthotropic Materials

Authors: Mahdi Fakoor, Nabi Mehri Khansari, Ahmadreza Farokhi

Abstract:

Evaluation of mode II fracture toughness (KIIC) in composite materials is very hard problem to be solved, since it can be affected by many mechanisms of dissipation. Furthermore, non-linearity in its behavior can offer an extra difficulty to obtain accuracy in the results. Different reported values for KIIC in various references can prove the mentioned assertion. In this research, some solutions proposed based on the form of necessary corrections that should be executed on the common test fixtures. Due to the fact that the common test fixtures are not able to active toughening mechanisms in pure Mode II correctly, we have employed some structural modifications on common fixtures. Particularly, the Iosipescu test is used as start point. The tests are applied on graphite/epoxy; PMMA and Western White Pine Wood. Also, mixed mode I/II fracture limit curves are used to indicate the scattering in test results are really relevant to the creation of Fracture Process Zone (FPZ). In the present paper, shear load consideration applied at the predicted shear zone by considering some significant structural amendments that can active mode II toughening mechanisms. Indeed, the employed empirical method causes significant developing in repeatability and reproducibility as well. Moreover, a 3D Finite Element (FE) is performed for verification of the obtained results. Eventually, it is figured out that, a remarkable precision can be obtained in common test fixture in comparison with the previous one.

Keywords: FPZ, shear test fixture, mode II fracture toughness, composite material, FEM

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1578 Experimental Investigation, Analysis and Optimization of Performance and Emission Characteristics of Composite Oil Methyl Esters at 160 bar, 180 bar and 200 bar Injection Pressures by Multifunctional Criteria Technique

Authors: Yogish Huchaiah, Chandrashekara Krishnappa

Abstract:

This study considers the optimization and validation of experimental results using Multi-Functional Criteria Technique (MFCT). MFCT is concerned with structuring and solving decision and planning problems involving multiple variables. Production of biodiesel from Composite Oil Methyl Esters (COME) of Jatropha and Pongamia oils, mixed in various proportions and Biodiesel thus obtained from two step transesterification process were tested for various Physico-Chemical properties and it has been ascertained that they were within limits proposed by ASTME. They were blended with Petrodiesel in various proportions. These Methyl Esters were blended with Petrodiesel in various proportions and coded. These blends were used as fuels in a computerized CI DI engine to investigate Performance and Emission characteristics. From the analysis of results, it was found that 180MEM4B20 blend had the maximum Performance and minimum Emissions. To validate the experimental results, MFCT was used. Characteristics such as Fuel Consumption (FC), Brake Power (BP), Brake Specific Fuel Consumption (BSFC), Brake Thermal Efficiency (BTE), Carbon dioxide (CO2), Carbon Monoxide (CO), Hydro Carbon (HC) and Nitrogen oxide (NOx) were considered as dependent variables. It was found from the application of this method that the optimized combination of Injection Pressure (IP), Mix and Blend is 178MEM4.2B24. Overall corresponding variation between optimization and experimental results was found to be 7.45%.

Keywords: COME, IP, MFCT, optimization, PI, PN, PV

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1577 Design and Fabrication of ZSO Nanocomposite Thin Film Based NO2 Gas Sensor

Authors: Bal Chandra Yadav, Rakesh K. Sonker, Anjali Sharma, Punit Tyagi, Vinay Gupta, Monika Tomar

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In the present study, ZnO doped SnO2 thin films of various compositions were deposited on the surface of a corning substrate by dropping the two sols containing the precursors for composite (ZSO) with subsequent heat treatment. The sensor materials used for selective detection of nitrogen dioxide (NO2) were designed from the correlation between the sensor composition and gas response. The available NO2 sensors are operative at very high temperature (150-800 °C) with low sensing response (2-100) even in higher concentrations. Efforts are continuing towards the development of NO2 gas sensor aiming with an enhanced response along with a reduction in operating temperature by incorporating some catalysts or dopants. Thus in this work, a novel sensor structure based on ZSO nanocomposite has been fabricated using chemical route for the detection of NO2 gas. The structural, surface morphological and optical properties of prepared films have been studied by using X-ray diffraction (XRD), Atomic force microscopy (AFM), Transmission electron microscope (TEM) and UV-visible spectroscopy respectively. The effect of thickness variation from 230 nm to 644 nm of ZSO composite thin film has been studied and the ZSO thin film of thickness ~ 460 nm was found to exhibit the maximum gas sensing response ~ 2.1×103 towards 20 ppm NO2 gas at an operating temperature of 90 °C. The average response and recovery times of the sensor were observed to be 3.51 and 6.91 min respectively. Selectivity of the sensor was checked with the cross-exposure of vapour CO, acetone, IPA, CH4, NH3 and CO2 gases. It was found that besides the higher sensing response towards NO2 gas, the prepared ZSO thin film was also highly selective towards NO2 gas.

Keywords: ZSO nanocomposite thin film, ZnO tetrapod structure, NO2 gas sensor, sol-gel method

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1576 Polymerization of Epsilon-Caprolactone Using Lipase Enzyme for Medical Applications

Authors: Sukanya Devi Ramachandran, Vaishnavi Muralidharan, Kavya Chandrasekaran

Abstract:

Polycaprolactone is polymer belonging to the polyester family that has noticeable characteristics of biodegradability and biocompatibility which is essential for medical applications. Polycaprolactone is produced by the ring opening polymerization of the monomer epsilon-Caprolactone (ε-CL) which is a closed ester, comprising of seven-membered ring. This process is normally catalysed by metallic components such as stannous octoate. It is difficult to remove the catalysts after the reaction, and they are also toxic to the human body. An alternate route of using enzymes as catalysts is being employed to reduce the toxicity. Lipase enzyme is a subclass of esterase that can easily attack the ester bonds of ε-CL. This research paper throws light on the extraction of lipase from germinating sunflower seeds and the activity of the biocatalyst in the polymerization of ε-CL. Germinating Sunflower seeds were crushed with fine sand in phosphate buffer of pH 6.5 into a fine paste which was centrifuged at 5000rpm for 10 minutes. The clear solution of the enzyme was tested for activity at various pH ranging from 5 to 7 and temperature ranging from 40oC to 70oC. The enzyme was active at pH6.0 and at 600C temperature. Polymerization of ε-CL was done using toluene as solvent with the catalysis of lipase enzyme, after which chloroform was added to terminate the reaction and was washed in cold methanol to obtain the polymer. The polymerization was done by varying the time from 72 hours to 6 days and tested for the molecular weight and the conversion of the monomer. The molecular weight obtained at 6 days is comparably higher. This method will be very effective, economical and eco-friendly to produce as the enzyme used can be regenerated as such at the end of the reaction and can be reused. The obtained polymers can be used for drug delivery and other medical applications.

Keywords: lipase, monomer, polycaprolactone, polymerization

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1575 Modeling the Effect of Thermal Gradation on Steady-State Creep Behavior of Isotropic Rotating Disc Made of Functionally Graded Material

Authors: Tania Bose, Minto Rattan, Neeraj Chamoli

Abstract:

In this paper, an attempt has been made to study the effect of thermal gradation on the steady-state creep behavior of rotating isotropic disc made of functionally graded material using threshold stress based Sherby’s creep law. The composite discs made of aluminum matrix reinforced with silicon carbide particulate have been taken for analysis. The stress and strain rate distributions have been calculated for the discs rotating at elevated temperatures having thermal gradation. The material parameters of creep vary radially and have been estimated by regression fit of the available experimental data. Investigations for discs made up of linearly increasing particle content operating under linearly decreasing temperature from inner to outer radii have been done using von Mises’ yield criterion. The results are displayed and compared graphically in designer friendly format for the above said disc profile with the disc made of particle reinforced composite operating under uniform temperature profile. It is observed that radial and tangential stresses show minor variation and the strain rates vary significantly in the presence of thermal gradation as compared to disc having uniform temperature.

Keywords: creep, isotropic, steady-state, thermal gradation

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1574 Characteristics of Wood Plastics Nano-Composites Made of Agricultural Residues and Urban Recycled Polymer Materials

Authors: Amir Nourbakhsh Habibabadi, Alireza Ashori

Abstract:

Context: The growing concern over the management of plastic waste and the high demand for wood-based products have led to the development of wood-plastic composites. Agricultural residues, which are abundantly available, can be used as a source of lignocellulosic fibers in the production of these composites. The use of recycled polymers and nanomaterials is also a promising approach to enhance the mechanical and physical properties of the composites. Research Aim: The aim of this study was to investigate the feasibility of using recycled high-density polyethylene (rHDPE), polypropylene (rPP), and agricultural residues fibers for manufacturing wood-plastic nano-composites. The effects of these materials on the mechanical properties of the composites, specifically tensile and flexural strength, were studied. Methodology: The study utilized an experimental approach where extruders and hot presses were used to fabricate the composites. Five types of cellulosic residues fibers (bagasse, corn stalk, rice straw, sunflower, and canola stem), three levels of nanomaterials (carbon nanotubes, nano silica, and nanoclay), and coupling agent were used to chemically bind the wood/polymer fibers, chemicals, and reinforcement. The mechanical properties of the composites were then analyzed. Findings: The study found that composites made with rHDPE provided moderately superior tensile and flexural properties compared to rPP samples. The addition of agricultural residues in several types of wood-plastic nano-composites significantly improved their bending and tensile properties, with bagasse having the most significant advantage over other lignocellulosic materials. The use of recycled polymers, agricultural residues, and nano-silica resulted in composites with the best strength properties. Theoretical Importance: The study's findings suggest that using agricultural fiber residues as reinforcement in wood/plastic nanocomposites is a viable approach to improve the mechanical properties of the composites. Additionally, the study highlights the potential of using recycled polymers in the development of value-added products without compromising the product's properties. Data Collection and Analysis Procedures: The study collected data on the mechanical properties of the composites using tensile and flexural tests. Statistical analyses were performed to determine the significant effects of the various materials used. Question addressed: Can agricultural residues and recycled polymers be used to manufacture wood-plastic nano-composites with enhanced mechanical properties? Conclusion: The study demonstrates the feasibility of using agricultural residues and recycled polymers in the production of wood-plastic nano-composites. The addition of these materials significantly improved the mechanical properties of the composites, with bagasse being the most effective agricultural residue. The study's findings suggest that composites made from recycled materials can offer value-added products without sacrificing performance.

Keywords: polymer, composites, wood, nano

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1573 The Influence of Incorporating in the Concrete of Recycled Waste from Shredding Used Tires and Crushed Glass on Their Characteristics and Behavior

Authors: Samiha Ramdani, Abdelhamid Geuttala

Abstract:

There is no doubt that the batteries increasingly used tires create environmental concerns. Algeria generates large amounts of by industrial and household waste, such as used tires and colored glass bottles and dishes, whose valuation in cementitious materials could be an interesting ecological and economical alternative for broadening eliminating cumbersome landfills. This work is a contribution to the promotion of local materials with the use of waste tires and glass bottle in the development of a new cementitious composite having the acceptable compressive strength and a capacity of improved strains. For this purpose, rubber crumb (GC) from shredding used tires were used as partial replacement of quarry sand with 10%, 20%, 40, 60%. In addition, some mixtures also contain glass powder at15% cement replacement by volume. The compressive strength, tensile strength, deformability, the water permeability and penetration Inions chlorides are studied. As results; an acceptable compressive strength was obtained with the substitution rate of 10% and 20% by volume, the deformability of the composite increases with increased replacement rate. The addition of finely ground glass as a partial replacement of cement concrete increases the resistance to penetration of Inions chloride and reduce the water permeability thereof; then increases their durability.

Keywords: crumb rubber, deformability, compressive strength, finely ground glass, durability, behavior law

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1572 Full-Spectrum Photo-thermal Conversion of Point-mode Cu₂O/TiN Plasmonic Nanofluids

Authors: Xiaoxiao Yu, Guodu He, Zihua Wu, Yuanyuan Wang, Huaqing Xie

Abstract:

Core-shell composite structure is a common method to regulate the spectral absorption of nanofluids, but there occur complex preparation processes, which limit the applications in some fields, such as photothermal utilization and catalysis. This work proposed point-mode Cu₂O/TiN plasmonic nanofluids to regulate the spectral capturing ability and simplify the preparation process. Non-noble TiN nanoparticles with the localized surface plasmon resonance effect are dispersed in Cu₂O nanoparticles for forming a multi-point resonance source to enhance the spectral absorption performance. The experimental results indicate that the multiple resonance effect of TiN effectively improves the optical absorption and expands the absorption region. When the radius of Cu₂O nanoparticles is equal to 150nm, the optical absorption of point-mode Cu₂O/TiN plasmonic nanoparticles is best. Moreover, the photothermal conversion efficiency of Cu₂O/TiN plasmonic nanofluid can reach 97.5% at a volume fraction of 0.015% and an optical depth of 10mm. The point-mode nanostructure effectively enhances the optical absorption properties and greatly simplifies the preparation process of the composite nanoparticles, which can promote the application of multi-component photonic nanoparticles in the field of solar energy.

Keywords: solar energy, nanofluid, point-mode structure, Cu₂O/TiN, localized surface plasmon resonance effect

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1571 Measuring the Economic Empowerment of Women Using an Index: An Application to Small-Scale Fisheries and Agriculture in Sebaste, Antique

Authors: Ritchie Ann Dionela, Jorilyn Tabuena

Abstract:

This study measured the economic empowerment of women from small-scale fisheries and agriculture sector of Sebaste, Antique. There were a total of 199 respondents selected using stratified random sampling. The Five Domains of Empowerment (5DE) Index was used in measuring the economic empowerment of study participants. Through this composite index, it was determined how women scored in the five domains of empowerment, namely production, resources, income, leadership, and time. The result of the study shows that women fishers are more economically empowered than women farmers. The two sectors showed high disparity in their scores on input in productive decision; autonomy in production; ownership of assets; control over use of income; group member; speaking in public; workload; and leisure. Group member indicator contributed largely to the disempowered population in both sectors. Although income of women farmers is higher than that of women fishers, the latter are still economically empowered which suggests that economic empowerment is not dependent on income alone. The study recommends that fisheries and agriculture organization for women should be established so that their needs and concerns will be heard and addressed. It is further recommended that government projects focused on enhancing women empowerment should also give importance on other factors such as organization and leisure and not just income to totally promote of women empowerment. Further studies on measuring women’s empowerment using other methods should be pursued to provide more information on women’s well-being.

Keywords: agriculture, composite index, fisheries, women economic empowerment

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1570 A Method for solving Legendre's Conjecture

Authors: Hashem Sazegar

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Legendre’s conjecture states that there is a prime number between n^2 and (n + 1)^2 for every positive integer n. In this paper we prove that every composite number between n2 and (n + 1)2 can be written u^2 − v^2 or u^2 − v^2 + u − v that u > 0 and v ≥ 0. Using these result as well as induction and residues (modq) we prove Legendre’s conjecture.

Keywords: bertrand-chebyshev theorem, landau’s problems, goldbach’s conjecture, twin prime, ramanujan proof

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1569 Microencapsulation of Phenobarbital by Ethyl Cellulose Matrix

Authors: S. Bouameur, S. Chirani

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The aim of this study was to evaluate the potential use of EthylCellulose in the preparation of microspheres as a Drug Delivery System for sustained release of phenobarbital. The microspheres were prepared by solvent evaporation technique using ethylcellulose as polymer matrix with a ratio 1:2, dichloromethane as solvent and Polyvinyl alcohol 1% as processing medium to solidify the microspheres. Size, shape, drug loading capacity and entrapement efficiency were studied.

Keywords: phenobarbital, microspheres, ethylcellulose, polyvinylacohol

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1568 Frictional Behavior of Glass Epoxy and Aluminium Particulate Glass Epoxy Composites Sliding against Smooth Stainless Steel Counterface

Authors: Pujan Sarkar

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Frictional behavior of glass epoxy and Al particulate glass-epoxy composites sliding against mild steel are investigated experimentally at normal atmospheric condition. Glass epoxy (0 wt% Al) and 5, 10 and 15 wt% Al particulate filled glass-epoxy composites are fabricated in conventional hand lay-up technique followed by light compression moulding process. A pin on disc type friction apparatus is used under dry sliding conditions. Experiments are carried out at a normal load of 5-50 N, and sliding speeds of 0.5-5.0 m/s for a fixed duration. Variations of friction coefficient with sliding time at different loads and speeds for all the samples are considered. Results show that the friction coefficient is influenced by sliding time, normal loads, sliding speeds, and wt% of Al content. In general, with respect to time, friction coefficient increases initially with a lot of fluctuations for a certain duration. After that, it becomes stable for the rest of the experimental time. With the increase of normal load, friction coefficient decreases at all speed levels and for all the samples whereas, friction coefficient increases with the increase of sliding speed at all normal loads for glass epoxy and 5 wt% Al content glass-epoxy composites. But for 10 and 15 wt%, Al content composites at all loads, reverse trend of friction coefficient has been recorded. Under different tribological conditions, the suitability of composites in respect of wt% of Al content is noted, and 5 wt% Al content glass-epoxy composite reports as the lowest frictional material at all loads compared to other samples.

Keywords: Al powder, composite, epoxy, friction, glass fiber

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1567 Preparation and Characterization of Phosphate-Nickel-Titanium Composite Coating Obtained by Sol Gel Process for Corrosion Protection

Authors: Khalidou Ba, Abdelkrim Chahine, Mohamed Ebn Touhami

Abstract:

A strong industrial interest is focused on the development of coatings for anticorrosion protection. In this context, phosphate composite materials are expanding strongly due to their chemical characteristics and their interesting physicochemical properties. Sol-gel coatings offer high homogeneity and purity that may lead to obtain coating presenting good adhesion to metal surface. The goal behind this work is to develop efficient coatings for corrosion protection of steel to extend its life. In this context, a sol gel process allowing to obtain thin film coatings on carbon steel with high resistance to corrosion has been developed. The optimization of several experimental parameters such as the hydrolysis time, the temperature, the coating technique, the molar ratio between precursors, the number of layers and the drying mode has been realized in order to obtain a coating showing the best anti-corrosion properties. The effect of these parameters on the microstructure and anticorrosion performance of the films sol gel coating has been investigated using different characterization methods (FTIR, XRD, Raman, XPS, SEM, Profilometer, Salt Spray Test, etc.). An optimized coating presenting good adhesion and very stable anticorrosion properties in salt spray test, which consists of a corrosive attack accelerated by an artificial salt spray consisting of a solution of 5% NaCl, pH neutral, under precise conditions of temperature (35 °C) and pressure has been obtained.

Keywords: sol gel, coating, corrosion, XPS

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1566 Ionic Liquids as Substrates for Metal-Organic Framework Synthesis

Authors: Julian Mehler, Marcus Fischer, Martin Hartmann, Peter S. Schulz

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During the last two decades, the synthesis of metal-organic frameworks (MOFs) has gained ever increasing attention. Based on their pore size and shape as well as host-guest interactions, they are of interest for numerous fields related to porous materials, like catalysis and gas separation. Usually, MOF-synthesis takes place in an organic solvent between room temperature and approximately 220 °C, with mixtures of polyfunctional organic linker molecules and metal precursors as substrates. Reaction temperatures above the boiling point of the solvent, i.e. solvothermal reactions, are run in autoclaves or sealed glass vessels under autogenous pressures. A relatively new approach for the synthesis of MOFs is the so-called ionothermal synthesis route. It applies an ionic liquid as a solvent, which can serve as a structure-directing template and/or a charge-compensating agent in the final coordination polymer structure. Furthermore, this method often allows for less harsh reaction conditions than the solvothermal route. Here a variation of the ionothermal approach is reported, where the ionic liquid also serves as an organic linker source. By using 1-ethyl-3-methylimidazolium terephthalates ([EMIM][Hbdc] and [EMIM]₂[bdc]), the one-step synthesis of MIL-53(Al)/Boehemite composites with interesting features is possible. The resulting material is already formed at moderate temperatures (90-130 °C) and is stabilized in the usually unfavored ht-phase. Additionally, in contrast to already published procedures for MIL-53(Al) synthesis, no further activation at high temperatures is mandatory. A full characterization of this novel composite material is provided, including XRD, SS-NMR, El-Al., SEM as well as sorption measurements and its interesting features are compared to MIL-53(Al) samples produced by the classical solvothermal route. Furthermore, the syntheses of the applied ionic liquids and salts is discussed. The influence of the degree of ionicity of the linker source [EMIM]x[H(2-x)bdc] on the crystal structure and the achievable synthesis temperature are investigated and give insight into the role of the IL during synthesis. Aside from the synthesis of MIL-53 from EMIM terephthalates, the use of the phosphonium cation in this approach is discussed as well. Additionally, the employment of ILs in the preparation of other MOFs is presented briefly. This includes the ZIF-4 framework from the respective imidazolate ILs and chiral camphorate based frameworks from their imidazolium precursors.

Keywords: ionic liquids, ionothermal synthesis, material synthesis, MIL-53, MOFs

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1565 Smart Energy Storage: W₁₈O₄₉ NW/Ti₃C₂Tₓ Composite-Enabled All Solid State Flexible Electrochromic Supercapacitors

Authors: Muhammad Hassan, Kemal Celebi

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Developing a highly efficient electrochromic energy storage device with sufficient color fluctuation and significant electrochemical performance is highly desirable for practical energy-saving applications. Here, to achieve a highly stable material with a large electrochemical storage capacity, a W₁₈O₄₉ NW/Ti₃C₂Tₓ composite has been fabricated and deposited on a pre-assembled Ag and W₁₈O₄₉ NW conductive network by Langmuir-Blodgett technique. The resulting hybrid electrode composed of 15 layers of W₁₈O₄₉ NW/Ti₃C₂Tₓ exhibits an areal capacitance of 125 mF/cm², with a fast and reversible switching response. An optical modulation of 98.2% can be maintained at a current density of 5 mAcm⁻². Using this electrode, we fabricated a bifunctional symmetric electrochromic supercapacitor device having an energy density of 10.26 μWh/cm² and a power density of 0.605 mW/cm², with high capacity retention and full columbic efficiency over 4000 charge-discharge cycles. Meanwhile, the device displays remarkable electrochromic characteristics, including fast switching time (5 s for coloring and 7 s for bleaching) and a significant coloration efficiency of 116 cm²/C with good optical modulation stability. In addition, the device exhibits remarkable mechanical flexibility and fast switching while being stable over 100 bending cycles, which is promising for real-world applications.

Keywords: MXene, nanowires, supercapacitor, ion diffusion, electrochromic, coloration efficiency

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1564 Synthesis of Pyrimidine-Based Polymers Consist of 2-{4-[4,6-Bis-(4-Hexyl-Thiophen-2-yl)-Pyrimidin-2-yl]-Phenyl}-Thiazolo[5,4-B]Pyridine with Deep HOMO Level for Photovoltaics

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

Abstract:

Photovoltaics, which have many advantages in cost, easy processing, and light-weight, have attracted attention. We synthesized pyrimidine-based conjugated polymers with 2-{4-[4,6-bis-(4-hexyl-thiophen-2-yl)-pyrimidin-2-yl]-phenyl}-thiazolo[5,4-b]pyridine (pPTP) which have an ability of powerful electron withdrawing and introduced into the PSCs. By Stille polymerization, we designed the conjugated polymers, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI. The HOMO energy levels of four polymers (pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH and pPTPTTI) were at -5.61 ~ -5.89 eV, their LUMO (Lowest Unoccupied Molecular Orbital) energy levels were at -3.95 ~ -4.09 eV. The device including pPTPBDT-12 and PC71BM (1:2) indicated a V_oc of 0.67 V, a J_sc of 1.33 mA/cm², and a fill factor (FF) of 0.25, giving a power conversion efficiency (PCE) of 0.23%. The device including pPTPBDT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 2.56 mA/cm², and a fill factor (FF) of 0.30, giving a power conversion efficiency of 0.56%. The device including pPTPBDTT-EH and PC71BM (1:2) indicated a V_oc of 0.72 V, a J_sc of 3.61 mA/cm², and a fill factor (FF) of 0.29, giving a power conversion efficiency of 0.74%. The device including pPTPTTI and PC71BM (1:2) indicated a V_oc of 0.83 V, a J_sc of 4.41 mA/cm², and a fill factor (FF) of 0.31, giving a power conversion efficiency of 1.13%. Therefore, pPTPBDT-12, pPTPBDT-EH, pPTPBDTT-EH, and pPTPTTI were synthesized by Stille polymerization. And We find one of the best efficiency for these polymers, called pPTPTTI. Their optical properties were measured and the results show that pyrimidine-based polymers especially like pPTPTTI have a great promise to act as the donor of the active layer.

Keywords: polymer solar cells, pyrimidine-based polymers, photovoltaics, conjugated polymer

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1563 Service Life Study of Polymers Used in Renovation of Heritage Buildings and Other Structures

Authors: Parastou Kharazmi

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Degradation of building materials particularly pipelines causes environmental damage during renovation or replacement and is a time consuming and costly process. Rehabilitation by polymer composites is a solution for renovation of degraded pipeline in heritage buildings and other structures which are less costly, faster and causes less damage to the environment; however, it is still not clear for how long these materials can perform as expected in the field and working condition. To study their service life, two types of composites based on Epoxy and Polyester resins have been evaluated by accelerated exposure and field exposure. The primary degradation agent used in accelerated exposure has been cycling temperature with half of the tests performed in presence of water. Thin films of materials used in accelerated testing were prepared in laboratory by using the same amount of material as well as technique of multi-layers application used in majority of the field installations. Extreme intensity levels of degradation agents have been used only to evaluate materials properties and as also mentioned in ISO 15686, are not directly correlated with degradation mechanisms that would be experienced in service. In the field exposure study, the focus has been to identify possible failure modes, causes, and effects. In field exposure, it has been observed that there are other degradation agents present which can be investigated further such as presence of contaminants and rust before application which prevents formation of a uniform layer of polymer or incompatibility between dissimilar materials. This part of the study also highlighted the importance of application’s quality of the materials in the field for providing the expected performance and service life. Results from extended accelerated exposure and field exposure can help in choosing inspection techniques, establishing the primary degradation agents and can be used for ageing exposure programs with clarifying relationship between different exposure periods and sites.

Keywords: building, renovation, service life, pipelines

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1562 A Multi-Templated Fe-Ni-Cu Ion Imprinted Polymer for the Selective and Simultaneous Removal of Toxic Metallic Ions from Wastewater

Authors: Morlu Stevens, Bareki Batlokwa

Abstract:

The use of treated wastewater is widely employed to compensate for the scarcity of safe and uncontaminated freshwater. However, the existence of toxic heavy metal ions in the wastewater pose a health hazard to animals and the environment, hence, the importance for an effective technique to tackle the challenge. A multi-templated ion imprinted sorbent (Fe,Ni,Cu-IIP) for the simultaneous removal of heavy metal ions from waste water was synthesised employing molecular imprinting technology (MIT) via thermal free radical bulk polymerization technique. Methacrylic acid (MAA) was employed as the functional monomer, and ethylene glycol dimethylacrylate (EGDMA) as cross-linking agent, azobisisobutyronitrile (AIBN) as the initiator, Fe, Ni, Cu ions as template ions, and 1,10-phenanthroline as the complexing agent. The template ions were exhaustively washed off the synthesized polymer by solvent extraction in several washing steps, while periodically increasing solvent (HCl) concentration from 1.0 M to 10.0 M. The physical and chemical properties of the sorbents were investigated using Fourier Transform Infrared Spectroscopy (FT-IR), X-ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were employed. Optimization of operational parameters such as time, pH and sorbent dosage to evaluate the effectiveness of sorbents were investigated and found to be 15 min, 7.5 and 666.7 mg/L respectively. Selectivity of ion-imprinted polymers and competitive sorption studies between the template and similar ions were carried out and showed good selectivity towards the targeted metal ion by removing 90% - 98% of the templated ions as compared to 58% - 62% of similar ions. The sorbents were further applied for the selective removal of Fe, Ni and Cu from real wastewater samples and recoveries of 92.14 ± 0.16% - 106.09 ± 0.17% and linearities of R2 = 0.9993 - R2 = 0.9997 were achieved.

Keywords: ion imprinting, ion imprinted polymers, heavy metals, wastewater

Procedia PDF Downloads 302
1561 Chitosan Doped Curcumin Gold Clusters Flexible Nanofiber for Wound Dressing and Anticancer Activities

Authors: Saravanan Govindaraju, Kyusik Yun

Abstract:

The purpose of this study is to develop the chitosan doped curcumin gold cluster nanofiber for wound healing and skin cancer drug delivery applications. Chitosan is a typical marine polysaccharide composed of glucosamine and n-acetyl glucosamine biodegradable and biocompatible polymer. Curcumin is a natural bioactive molecule obtained from Curcuma longo, it mostly occurs in some Asian countries like India and China. It has naturally antioxidant, antimicrobial, wound healing and anticancer property. Due to this advantage, we prepared a combination of natural polymer chitosan with Curcumin and gold nanocluster nanofiber (CH-CUR-AuNCs nanofibers). The prepared nanofiber was characterized by using Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). Antibacterial studies were performed with E.coli and S.aureus. Antioxidant assay, drug release test, and cytotoxicity will be evaluated. Prepared nanofiber emits low intensity of red fluorescent. The FTIR confirm the presence of chitosan and Curcumin in the nanofiber. In vitro study clearly shows the antibacterial activity against the gram negative and gram positive bacteria. Particularly, synthesised nanofibers provide better antibacterial activity against gram negative than gram positive. Cytotoxicity study also provides better killing rate in cancer cell, biocompatible with normal cell. Prepared CH-CUR-AuNCs nanofibers provide the better killing rate to bacterial strains and cancer cells. Finally, prepared nanofiber can be possible to use for wound healing dressing, patch for skin cancer and other biomedical applications.

Keywords: curcumin, chitosan, gold clusters, nanofibers

Procedia PDF Downloads 251
1560 Analysis of the Detachment of Water Droplets from a Porous Fibrous Surface

Authors: Ibrahim Rassoul, E-K. Si Ahmed

Abstract:

The growth, deformation, and detachment of fluid droplets adherent to solid substrates is a problem of fundamental interest with numerous practical applications. Specific interest in this proposal is the problem of a droplet on a fibrous, hydrophobic substrate subjected to body or external forces (gravity, convection). The past decade has seen tremendous advances in proton exchange membrane fuel cell (PEMFC) technology. However, there remain many challenges to bring commercially viable stationary PEMFC products to the market. PEMFCs are increasingly emerging as a viable alternative clean power source for automobile and stationary applications. Before PEMFCs can be employed to power automobiles and homes, several key technical challenges must be properly addressed. One technical challenge is elucidating the mechanisms underlying water transport in and removal from PEMFCs. On the one hand, sufficient water is needed in the polymer electrolyte membrane or PEM to maintain sufficiently high proton conductivity. On the other hand, too much liquid water present in the cathode can cause 'flooding' (that is, pore space is filled with excessive liquid water) and hinder the transport of the oxygen reactant from the gas flow channel (GFC) to the three-phase reaction sites. The aim of this work is to investigate the stability of a liquid water droplet emerging form a GDL pore, to gain fundamental insight into the instability process leading to detachment. The approach will combine analytical and numerical modeling with experimental visualization and measurements.

Keywords: polymer electrolyte fuel cell, water droplet, gas diffusion layer, contact angle, surface tension

Procedia PDF Downloads 235
1559 Solvent-Aided Dispersion of Tannic Acid to Enhance Flame Retardancy of Epoxy

Authors: Matthew Korey, Jeffrey Youngblood, John Howarter

Abstract:

Background and Significance: Tannic acid (TA) is a bio-based high molecular weight organic, aromatic molecule that has been found to increase thermal stability and flame retardancy of many polymer matrices when used as an additive. Although it is biologically sourced, TA is a pollutant in industrial wastewater streams, and there is a desire to find applications in which to downcycle this molecule after extraction from these streams. Additionally, epoxy thermosets have revolutionized many industries, but are too flammable to be used in many applications without additives which augment their flame retardancy (FR). Many flame retardants used in epoxy thermosets are synthesized from petroleum-based monomers leading to significant environmental impacts on the industrial scale. Many of these compounds also have significant impacts on human health. Various bio-based modifiers have been developed to improve the FR of the epoxy resin; however, increasing FR of the system without tradeoffs with other properties has proven challenging, especially for TA. Methodologies: In this work, TA was incorporated into the thermoset by use of solvent-exchange using methyl ethyl ketone, a co-solvent for TA, and epoxy resin. Samples were then characterized optically (UV-vis spectroscopy and optical microscopy), thermally (thermogravimetric analysis and differential scanning calorimetry), and for their flame retardancy (mass loss calorimetry). Major Findings: Compared to control samples, all samples were found to have increased thermal stability. Further, the addition of tannic acid to the polymer matrix by the use of solvent greatly increased the compatibility of the additive in epoxy thermosets. By using solvent-exchange, the highest loading level of TA found in literature was achieved in this work (40 wt%). Conclusions: The use of solvent-exchange shows promises for circumventing the limitations of TA in epoxy.

Keywords: sustainable, flame retardant, epoxy, tannic acid

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1558 High Performance Liquid Cooling Garment (LCG) Using ThermoCore

Authors: Venkat Kamavaram, Ravi Pare

Abstract:

Modern warfighters experience extreme environmental conditions in many of their operational and training activities. In temperatures exceeding 95°F, the body’s temperature regulation can no longer cool through convection and radiation. In this case, the only cooling mechanism is evaporation. However, evaporative cooling is often compromised by excessive humidity. Natural cooling mechanisms can be further compromised by clothing and protective gear, which trap hot air and moisture close to the body. Creating an efficient heat extraction apparel system that is also lightweight without hindering dexterity or mobility of personnel working in extreme temperatures is a difficult technical challenge and one that needs to be addressed to increase the probability for the future success of the US military. To address this challenge, Oceanit Laboratories, Inc. has developed and patented a Liquid Cooled Garment (LCG) more effective than any on the market today. Oceanit’s LCG is a form-fitting garment with a network of thermally conductive tubes that extracts body heat and can be worn under all authorized and chemical/biological protective clothing. Oceanit specifically designed and developed ThermoCore®, a thermally conductive polymer, for use in this apparel, optimizing the product for thermal conductivity, mechanical properties, manufacturability, and performance temperatures. Thermal Manikin tests were conducted in accordance with the ASTM test method, ASTM F2371, Standard Test Method for Measuring the Heat Removal Rate of Personal Cooling Systems Using a Sweating Heated Manikin, in an environmental chamber using a 20-zone sweating thermal manikin. Manikin test results have shown that Oceanit’s LCG provides significantly higher heat extraction under the same environmental conditions than the currently fielded Environmental Control Vest (ECV) while at the same time reducing the weight. Oceanit’s LCG vests performed nearly 30% better in extracting body heat while weighing 15% less than the ECV. There are NO cooling garments in the market that provide the same thermal extraction performance, form-factor, and reduced weight as Oceanit’s LCG. The two cooling garments that are commercially available and most commonly used are the Environmental Control Vest (ECV) and the Microclimate Cooling Garment (MCG).

Keywords: thermally conductive composite, tubing, garment design, form fitting vest, thermocore

Procedia PDF Downloads 100
1557 Role of Micro-Patterning on Stem Cell-Material Interaction Modulation and Cell Fate

Authors: Lay Poh Tan, Chor Yong Tay, Haiyang Yu

Abstract:

Micro-contact printing is a form of soft lithography that uses the relief patterns on a master polydimethylsiloxane (PDMS) stamp to form patterns of self-assembled monolayers (SAMs) of ink on the surface of a substrate through conformal contact technique. Here, we adopt this method to print proteins of different dimensions on our biodegradable polymer substrates. We started off with printing 20-500 μm scale lanes of fibronectin to engineer the shape of bone marrow derived human mesenchymal stem cell (hMSCs). After 8 hours of culture, the hMSCs adopted elongated shapes, and upon analysis of the gene expressions, genes commonly associated with myogenesis (GATA-4, MyoD1, cTnT and β-MHC) and neurogenesis (NeuroD, Nestin, GFAP, and MAP2) were up-regulated but gene expression associated to osteogenesis (ALPL, RUNX2, and SPARC) were either down modulated or remained at the nominal level. This is the first evidence that cellular morphology control via micropatterning could be used to modulate stem cell fate without external biochemical stimuli. We further our studies to modulate the focal adhesion (FA) instead of the macro shape of cells. Micro-contact printed islands of different smaller dimensions were investigated. We successfully regulated the FAs into dense FAs and elongated FAs by micropatterning. Additionally, the combined effects of hard (40.4 kPa), and intermediate (10.6 kPa) PA gel and FAs patterning on hMSCs differentiation were studied. Results showed that FA and matrix compliance plays an important role in hMSCs differentiation, and there is a cross-talk between different physical stimulants and the significance of these stimuli can only be realized if they are combined at the optimum level.

Keywords: micro-contact printing, polymer substrate, cell-material interaction, stem cell differentiation

Procedia PDF Downloads 159
1556 Transdermal Medicated- Layered Extended-Release Patches for Co-delivery of Carbamazepine and Pyridoxine

Authors: Sarah K. Amer, Walaa Alaa

Abstract:

Epilepsy is an important cause of mortality and morbidity, according to WHO statistics. It is characterized by the presence of frequent seizures occurring more than 24 hours apart. Carbamazepine (CBZ) is considered first-line treatment for epilepsy. However, reports have shown that CBZ oral formulations failed to achieve optimum systemic delivery, minimize side effects, and enhance patient compliance. Besides, the literature has signified the lack of therapeutically efficient CBZ transdermal formulation and the urge for its existence owing to its ease and convenient method of application and highlighted capability to attain higher bioavailability and more extended-release profiles compared to conventional oral CBZ tablets. This work aims to prepare CBZ microspheres (MS) that are embedded in a transdermal gel containing Vitamin B to be co-delivered. MS were prepared by emulsion-solvent diffusion method using Eudragit S as core forming polymer and hydroxypropyl methylcellulose (HPMC) polymer. The MS appeared to be spherical and porous in nature, offering a large surface area and high entrapment efficiency of CBZ. The transdermal gel was prepared by solvent-evaporation technique using HPMC that, offered high entrapment efficiency and Eudragit S that provided an extended-release profile. Polyethylene glycol, Span 80 and Pyridoxine were also added. Data indicated that combinations of CBZ with pyridoxine can reduce epileptic seizures without affecting motor coordination. Extended-release profiles were evident for this system. The patches were furthermore tested for thickness, moisture content, folding endurance, spreadability and viscosity measurements. This novel pharmaceutical formulation would be of great influence on seizure control, offering better therapeutic effects.

Keywords: epilepsy, carbamazepine, pyridoxine, transdermal

Procedia PDF Downloads 38
1555 Improving the Exploitation of Fluid in Elastomeric Polymeric Isolator

Authors: Haithem Elderrat, Huw Davies, Emmanuel Brousseau

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Elastomeric polymer foam has been used widely in the automotive industry, especially for isolating unwanted vibrations. Such material is able to absorb unwanted vibration due to its combination of elastic and viscous properties. However, the ‘creep effect’, poor stress distribution and susceptibility to high temperatures are the main disadvantages of such a system. In this study, improvements in the performance of elastomeric foam as a vibration isolator were investigated using the concept of Foam Filled Fluid (FFFluid). In FFFluid devices, the foam takes the form of capsule shapes, and is mixed with viscous fluid, while the mixture is contained in a closed vessel. When the FFFluid isolator is affected by vibrations, energy is absorbed, due to the elastic strain of the foam. As the foam is compressed, there is also movement of the fluid, which contributes to further energy absorption as the fluid shears. Also, and dependent on the design adopted, the packaging could also attenuate vibration through energy absorption via friction and/or elastic strain. The present study focuses on the advantages of the FFFluid concept over the dry polymeric foam in the role of vibration isolation. This comparative study between the performance of dry foam and the FFFluid was made according to experimental procedures. The paper concludes by evaluating the performance of the FFFluid isolator in the suspension system of a light vehicle. One outcome of this research is that the FFFluid may preferable over elastomer isolators in certain applications, as it enables a reduction in the effects of high temperatures and of ‘creep effects’, thereby increasing the reliability and load distribution. The stiffness coefficient of the system has increased about 60% by using an FFFluid sample. The technology represented by the FFFluid is therefore considered by this research suitable for application in the suspension system of a light vehicle.

Keywords: FFFluid, dry foam, anti-vibration devices, elastomeric polymer foam

Procedia PDF Downloads 325
1554 Study of Structural Behavior and Proton Conductivity of Inorganic Gel Paste Electrolyte at Various Phosphorous to Silicon Ratio by Multiscale Modelling

Authors: P. Haldar, P. Ghosh, S. Ghoshdastidar, K. Kargupta

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In polymer electrolyte membrane fuel cells (PEMFC), the membrane electrode assembly (MEA) is consisting of two platinum coated carbon electrodes, sandwiched with one proton conducting phosphoric acid doped polymeric membrane. Due to low mechanical stability, flooding and fuel cell crossover, application of phosphoric acid in polymeric membrane is very critical. Phosphorous and silica based 3D inorganic gel gains the attention in the field of supercapacitors, fuel cells and metal hydrate batteries due to its thermally stable highly proton conductive behavior. Also as a large amount of water molecule and phosphoric acid can easily get trapped in Si-O-Si network cavities, it causes a prevention in the leaching out. In this study, we have performed molecular dynamics (MD) simulation and first principle calculations to understand the structural, electronics and electrochemical and morphological behavior of this inorganic gel at various P to Si ratios. We have used dipole-dipole interactions, H bonding, and van der Waals forces to study the main interactions between the molecules. A 'structure property-performance' mapping is initiated to determine optimum P to Si ratio for best proton conductivity. We have performed the MD simulations at various temperature to understand the temperature dependency on proton conductivity. The observed results will propose a model which fits well with experimental data and other literature values. We have also studied the mechanism behind proton conductivity. And finally we have proposed a structure for the gel paste with optimum P to Si ratio.

Keywords: first principle calculation, molecular dynamics simulation, phosphorous and silica based 3D inorganic gel, polymer electrolyte membrane fuel cells, proton conductivity

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1553 Rapid and Easy Fabrication of Collagen-Based Biocomposite Scaffolds for 3D Cell Culture

Authors: Esra Turker, Umit Hakan Yildiz, Ahu Arslan Yildiz

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The key of regenerative medicine is mimicking natural three dimensional (3D) microenvironment of tissues by utilizing appropriate biomaterials. In this study, a synthetic biodegradable polymer; poly (L-lactide-co-ε-caprolactone) (PLLCL) and a natural polymer; collagen was used to mimic the biochemical structure of the natural extracellular matrix (ECM), and by means of electrospinning technique the real physical structure of ECM has mimicked. PLLCL/Collagen biocomposite scaffolds enables cell attachment, proliferation and nutrient transport through fabrication of micro to nanometer scale nanofibers. Biocomposite materials are commonly preferred due to limitations of physical and biocompatible properties of natural and synthetic materials. Combination of both materials improves the strength, degradation and biocompatibility of scaffold. Literature studies have shown that collagen is mostly solved with heavy chemicals, which is not suitable for cell culturing. To overcome this problem, a new approach has been developed in this study where polyvinylpyrrolidone (PVP) is used as co-electrospinning agent. PVP is preferred due to its water solubility, so PLLCL/collagen biocomposite scaffold can be easily and rapidly produced. Hydrolytic and enzymatic biodegradation as well as mechanical strength of scaffolds were examined in vitro. Cell adhesion, proliferation and cell morphology characterization studies have been performed as well. Further, on-chip drug screening analysis has been performed over 3D tumor models. Overall, the developed biocomposite scaffold was used for 3D tumor model formation and obtained results confirmed that developed model could be used for drug screening studies to predict clinical efficacy of a drug.

Keywords: biomaterials, 3D cell culture, drug screening, electrospinning, lab-on-a-chip, tissue engineering

Procedia PDF Downloads 294
1552 The Effect of Lead(II) Lone Electron Pair and Non-Covalent Interactions on the Supramolecular Assembly and Fluorescence Properties of Pb(II)-Pyrrole-2-Carboxylato Polymer

Authors: M. Kowalik, J. Masternak, K. Kazimierczuk, O. V. Khavryuchenko, B. Kupcewicz, B. Barszcz

Abstract:

Recently, the growing interest of chemists in metal-organic coordination polymers (MOCPs) is primarily derived from their intriguing structures and potential applications in catalysis, gas storage, molecular sensing, ion exchanges, nonlinear optics, luminescence, etc. Currently, we are devoting considerable effort to finding the proper method of synthesizing new coordination polymers containing S- or N-heteroaromatic carboxylates as linkers and characterizing the obtained Pb(II) compounds according to their structural diversity, luminescence, and thermal properties. The choice of Pb(II) as the central ion of MOCPs was motivated by several reasons mentioned in the literature: i) a large ionic radius allowing for a wide range of coordination numbers, ii) the stereoactivity of the 6s2 lone electron pair leading to a hemidirected or holodirected geometry, iii) a flexible coordination environment, and iv) the possibility to form secondary bonds and unusual non-covalent interactions, such as classic hydrogen bonds and π···π stacking interactions, as well as nonconventional hydrogen bonds and rarely reported tetrel bonds, Pb(lone pair)···π interactions, C–H···Pb agostic-type interactions or hydrogen bonds, and chelate ring stacking interactions. Moreover, the construction of coordination polymers requires the selection of proper ligands acting as linkers, because we are looking for materials exhibiting different network topologies and fluorescence properties, which point to potential applications. The reaction of Pb(NO₃)₂ with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)₈(H₂O)]ₙ, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb2 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest Pb–O bonds was determined as the (4·8²) fes topology. Taking the secondary Pb–O bonds into account, the coordination number of Pb centres increased, Pb1 exhibited a hemidirected monocapped pentagonal pyramidal geometry, Pb2 and Pb4 exhibited a holodirected tricapped trigonal prismatic geometry, and Pb3 exhibited a holodirected bicapped trigonal prismatic geometry. Moreover, the Pb(II) lone pair stereoactivity was confirmed by DFT calculations. The 2D structure was expanded into 3D by the existence of non-covalent O/C–H···π and Pb···π interactions, which was confirmed by the Hirshfeld surface analysis. The above mentioned interactions improve the rigidity of the structure and facilitate the charge and energy transfer between metal centres, making the polymer a promising luminescent compound.

Keywords: coordination polymers, fluorescence properties, lead(II), lone electron pair stereoactivity, non-covalent interactions

Procedia PDF Downloads 135