Search results for: chemical polymerization
3921 Status of Bio-Graphene Extraction from Biomass: A Review
Authors: Simon Peter Wafula, Ziporah Nakabazzi Kitooke
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Graphene is a carbon allotrope made of a two-dimensional shape. This material has got a number of materials researchers’ interest due to its properties that are special compared to ordinary material. Graphene is thought to enhance a number of material properties in the manufacturing, energy, and construction industries. Many studies consider graphene to be a wonder material, just like plastic in the 21st century. This shows how much should be invested in graphene research. This review highlights the status of graphene extracted from various biomass sources together with their appropriate extraction techniques, including the pretreatment methods for a better product. The functional groups and structure of graphene extracted using several common methods of synthesis are in this paper as well. The review explores methods like chemical vapor deposition (CVD), hydrothermal, chemical exfoliation method, liquid exfoliation, and Hummers. Comparative analysis of the various extraction techniques gives an insight into each of their advantages, challenges, and potential scalability. The review also highlights the pretreatment process for biomass before carbonation for better quality of bio-graphene. The various graphene modes, as well as their applications, are in this study. Recommendations for future research for improving the efficiency and sustainability of bio-graphene are highlighted.Keywords: exfoliation, nanomaterials, biochar, large-scale, two-dimension
Procedia PDF Downloads 513920 Quince Seed Mucilage (QSD)/ Multiwall Carbonano Tube Hybrid Hydrogels as Novel Controlled Drug Delivery Systems
Authors: Raouf Alizadeh, Kadijeh Hemmati
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The aim of this study is to synthesize several series of hydrogels from combination of a natural based polymer (Quince seed mucilage QSD), a synthetic copolymer contained methoxy poly ethylene glycol -polycaprolactone (mPEG-PCL) in the presence of different amount of multi-walled carbon nanotube (f-MWNT). Mono epoxide functionalized mPEG (mP EG-EP) was synthesized and reacted with sodium azide in the presence of NH4Cl to afford mPEG- N3(-OH). Then ring opening polymerization (ROP) of ε–caprolactone (CL) in the presence of mPEG- N3(-OH) as initiator and Sn(Oct)2 as catalyst led to preparation of mPEG-PCL- N3(-OH ) which was grafted onto propagylated f-MWNT by the click reaction to obtain mPEG-PCL- f-MWNT (-OH ). In the presence of mPEG- N3(-Br) and mixture of NHS/DCC/ QSD, hybrid hydrogels were successfully synthesized. The copolymers and hydrogels were characterized using different techniques such as, scanning electron microscope (SEM) and thermogravimetric analysis (TGA). The gel content of hydrogels showed dependence on the weight ratio of QSD:mPEG-PCL:f-MWNT. The swelling behavior of the prepared hydrogels was also studied under variation of pH, immersion time, and temperature. According to the results, the swelling behavior of the prepared hydrogels showed significant dependence in the gel content, pH, immersion time and temperature. The highest swelling was observed at room temperature, in 60 min and at pH 8. The loading and in-vitro release of quercetin as a model drug were investigated at pH of 2.2 and 7.4, and the results showed that release rate at pH 7.4 was faster than that at pH 2.2. The total loading and release showed dependence on the network structure of hydrogels and were in the range of 65- 91%. In addition, the cytotoxicity and release kinetics of the prepared hydrogels were also investigated.Keywords: antioxidant, drug delivery, Quince Seed Mucilage(QSD), swelling behavior
Procedia PDF Downloads 3213919 Assessment of Groundwater Quality in Karakulam Grama Panchayath in Thiruvananthapuram, Kerala State, South India
Authors: D. S. Jaya, G. P. Deepthi
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Groundwater is vital to the livelihoods and health of the majority of the people since it provides almost the entire water resource for domestic, agricultural and industrial uses. Groundwater quality comprises the physical, chemical, and bacteriological qualities. The present investigation was carried out to determine the physicochemical and bacteriological quality of the ground water sources in the residential areas of Karakulam Grama Panchayath in Thiruvananthapuram district, Kerala state in India. Karakulam is located in the eastern suburbs of Thiruvananthapuram city. The major drinking water source of the residents in the study area are wells. The present study aims to assess the portability and irrigational suitability of groundwater in the study area. The water samples were collected from randomly selected dug wells and bore wells in the study area during post monsoon and pre-monsoon seasons of the year 2014 after a preliminary field survey. The physical, chemical and bacteriological parameters of the water samples were analysed following standard procedures. The concentration of heavy metals (Cd, Pb, and Mn) in the acid digested water samples were determined by using an Atomic Absorption Spectrophotometer. The results showed that the pH of well water samples ranged from acidic to the alkaline level. In the majority of well water samples ( > 54%) the iron and magnesium content were found high in both the seasons studied, and the values were above the permissible limits of WHO drinking water quality standards. Bacteriological analyses showed that 63% of the wells were contaminated with total coliforms in both the seasons studied. Irrigational suitability of groundwater was assessed by determining the chemical indices like Sodium Percentage (%Na), Sodium Adsorption Ratio (SAR), Residual Sodium Carbonate (RSC), Permeability Index (PI), and the results indicate that the well water in the study area is good for irrigation purposes. Therefore, the study reveals the degradation of drinking water quality groundwater sources in Karakulam Grama Panchayath in Thiruvananthapuram District, Kerala in terms of its chemical and bacteriological characteristics and is not potable without proper treatment. In the study, more than 1/3rd of the wells tested were positive for total coliforms, and the bacterial contamination may pose threats to public health. The study recommends the need for periodic well water quality monitoring in the study area and to conduct awareness programs among the residents.Keywords: bacteriological, groundwater, irrigational suitability, physicochemical, portability
Procedia PDF Downloads 2653918 PPRA Regulates DNA Replication Initiation and Cell Morphology in Escherichia coli
Authors: Ganesh K. Maurya, Reema Chaudhary, Neha Pandey, Hari S. Misra
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PprA, a pleiotropic protein participating in radioresistance, has been reported for its roles in DNA replication initiation, genome segregation, cell division and DNA repair in polyextremophile Deinococcus radiodurans. Interestingly, expression of deinococcal PprA in E. coli suppresses its growth by reducing the number of colony forming units and provides better resistance against γ-radiation than control. We employed different biochemical and cell biology studies using PprA and its DNA binding/polymerization mutants (K133E & W183R) in E. coli. Cells expressing wild type PprA or its K133E mutant showed reduction in the amount of genomic DNA as well as chromosome copy number in comparison to W183R mutant of PprA and control cells, which suggests the role of PprA protein in regulation of DNA replication initiation in E. coli. Further, E. coli cells expressing PprA or its mutants exhibited different impact on cell morphology than control. Expression of PprA or K133E mutant displayed a significant increase in cell length upto 5 folds while W183R mutant showed cell length similar to uninduced control cells. We checked the interaction of deinococcal PprA and its mutants with E. coli DnaA using Bacterial two-hybrid system and co-immunoprecipitation. We observed a functional interaction of EcDnaA with PprA and K133E mutant but not with W183R mutant of PprA. Further, PprA or K133E mutant has suppressed the ATPase activity of EcDnaA but W183R mutant of PprA failed to do so. These observations suggested that PprA protein regulates DNA replication initiation and cell morphology of surrogate E. coli.Keywords: DNA replication, radioresistance, protein-protein interaction, cell morphology, ATPase activity
Procedia PDF Downloads 693917 A Dissolution Mechanism of the Silicon Carbide in HF/K₂Cr₂O₇ Solutions
Authors: Karima Bourenane, Aissa Keffous
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In this paper, we present an experimental method on the etching reaction of p-type 6H-SiC, etching that was carried out in HF/K₂Cr₂O₇ solutions. The morphology of the etched surface was examined with varying K₂Cr₂O₇ concentrations, etching time and temperature solution. The surfaces of the etched samples were analyzed using Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR) and Photoluminescence. The surface morphology of samples etched in HF/K₂Cr₂O₇ is shown to depend on the solution composition and bath temperature. The investigation of the HF/K₂Cr₂O₇ solutions on 6H-SiC surface shows that as K₂Cr₂O₇ concentration increases, the etch rate increases to reach a maximum value at about 0.75 M and then decreases. Similar behavior has been observed when the temperature of the solution is increased. The maximum etch rate is found for 80 °C. Taking into account the result, a polishing etching solution of 6H-SiC has been developed. In addition, the result is very interesting when, to date, no chemical polishing solution has been developed on silicon carbide (SiC). Finally, we have proposed a dissolution mechanism of the silicon carbide in HF/K₂Cr₂O₇ solutions.Keywords: silicon carbide, dissolution, Chemical etching, mechanism
Procedia PDF Downloads 533916 Physicochemical Characterization of Asphalt Ridge Froth Bitumen
Authors: Nader Nciri, Suil Song, Namho Kim, Namjun Cho
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Properties and compositions of bitumen and bitumen-derived liquids have significant influences on the selection of recovery, upgrading and refining processes. Optimal process conditions can often be directly related to these properties. The end uses of bitumen and bitumen products are thus related to their compositions. Because it is not possible to conduct a complete analysis of the molecular structure of bitumen, characterization must be made in other terms. The present paper focuses on physico-chemical analysis of two different types of bitumens. These bitumen samples were chosen based on: the original crude oil (sand oil and crude petroleum), and mode of process. The aim of this study is to determine both the manufacturing effect on chemical species and the chemical organization as a function of the type of bitumen sample. In order to obtain information on bitumen chemistry, elemental analysis (C, H, N, S, and O), heavy metal (Ni, V) concentrations, IATROSCAN chromatography (thin layer chromatography-flame ionization detection), FTIR spectroscopy, and 1H NMR spectroscopy have all been used. The characterization includes information about the major compound types (saturates, aromatics, resins and asphaltenes) which can be compared with similar data for other bitumens, more importantly, can be correlated with data from petroleum samples for which refining characteristics are known. Examination of Asphalt Ridge froth bitumen showed that it differed significantly from representative petroleum pitches, principally in their nonhydrocarbon content, heavy metal content and aromatic compounds. When possible, properties and composition were related to recovery and refining processes. This information is important because of the effects that composition has on recovery and processing reactions.Keywords: froth bitumen, oil sand, asphalt ridge, petroleum pitch, thin layer chromatography-flame ionization detection, infrared spectroscopy, 1H nuclear magnetic resonance spectroscopy
Procedia PDF Downloads 4283915 Enhancement in Bactericidal Activity of Hydantoin Based Microsphere from Smooth to Rough
Authors: Rajani Kant Rai, Jayakrishnan Athipet
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There have been several attempts to prepare polymers with antimicrobial properties by doping with various N-halamines. Hydantoins (Cyclic N-halamine) is of importance due to their stability rechargeable chloroamide function, broad-spectrum anti-microbial action and ability to prevent resistance to the organisms. Polymerizable hydantoins are synthesized by tethering vinyl moieties to 5,5,-dialkyl hydantoin sacrificing the imide hydrogen in the molecule thereby restricting the halogen capture only to the amide nitrogen that results in compromised antibacterial activity. In order to increase the activity of the antimicrobial polymer, we have developed a scheme to maximize the attachment of chlorine to the amide and the imide moieties of hydantoin. Vinyl hydantoin monomer, (Z)-5-(4-((3-methylbuta-1,3-dien-2-yl)oxy)benzylidene)imidazolidine-2,4-dione (MBBID) was synthesized and copolymerized with a commercially available monomer, methyl methacrylate, by free radical polymerization. The antimicrobial activity of hydantoin is strongly dependent on their surface area and hence their microbial activity increases when incorporated in microspheres or nanoparticles as compared to their bulk counterpart. In this regard, smooth and rough surface microsphere of the vinyl monomer (MBBID) with commercial monomer was synthesized. The oxidative chlorine content of the copolymer ranged from 1.5 to 2.45 %. Further, to demonstrate the water purification potential, the thin column was packed with smooth or rough microspheres and challenged with simulated contaminated water that exhibited 6 log kill (total kill) of the bacteria in 20 minutes of exposure with smooth (25 mg/ml) and rough microsphere (15.0 mg/ml).Keywords: cyclic N-halamine, vinyl hydantoin monomer, rough surface microsphere, simulated contaminated water
Procedia PDF Downloads 1463914 PPRA Controls DNA Replication and Cell Growth in Escherichia Coli
Authors: Ganesh K. Maurya, Reema Chaudhary, Neha Pandey, Hari S. Misra
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PprA, a pleiotropic protein participating in radioresistance, has been reported for its roles in DNA replication initiation, genome segregation, cell division and DNA repair in polyextremophile Deinococcus radiodurans. Interestingly, expression of deinococcal PprA in E. coli suppresses its growth by reducing the number of colony forming units and provide better resistance against γ-radiation than control. We employed different biochemical and cell biology studies using PprA and its DNA binding/polymerization mutants (K133E & W183R) in E. coli. Cells expressing wild type PprA or its K133E mutant showed reduction in the amount of genomic DNA as well as chromosome copy number in comparison to W183R mutant of PprA and control cells, which suggests the role of PprA protein in regulation of DNA replication initiation in E. coli. Further, E. coli cells expressing PprA or its mutants exhibited different impact on cell morphology than control. Expression of PprA or K133E mutant displayed a significant increase in cell length upto 5 folds while W183R mutant showed cell length similar to uninduced control cells. We checked the interaction of deinococcal PprA and its mutants with E. coli DnaA using Bacterial two-hybrid system and co-immunoprecipitation. We observed a functional interaction of EcDnaA with PprA and K133E mutant but not with W183R mutant of PprA. Further, PprA or K133E mutant has suppressed the ATPase activity of EcDnaA but W183R mutant of PprA failed to do so. These observations suggested that PprA protein regulates DNA replication initiation and cell morphology of surrogate E. coli.Keywords: DNA replication, radioresistance, protein-protein interaction, cell morphology, ATPase activity
Procedia PDF Downloads 713913 Antibacterial Property of ZnO Nanoparticles: Effect of Intrinsic Defects
Authors: Suresh Kumar Verma, Jugal Kishore Das, Ealisha Jha, Mrutyunjay Suar, SKS Parashar
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In recent years nanoforms of inorganic metallic oxides has attracted a lot of interest due to their small size and significantly improved physical, chemical and biological properties compared to their molecular precursor. Some of the inorganic materials such as TiO2, ZnO, MgO, CaO, Al2O3 have been extensively used in biological applications. Zinc Oxide is a Wurtzite-type semiconductor and piezo-electric material exhibiting excellent electrical, optical and chemical properties with a band energy gap of 3.1-3.4 eV. Nanoforms of Zinc Oxide (ZnO) are increasingly recognised for their utility in biological application. The significant physical parameters such as surface area, particle size, surface charge and Zeta potential of Zinc Oxide (ZnO) nanoparticles makes it suitable for the uptake, persistance, biological, and chemical activities inside the living cells. The present study shows the effect of intrinsic defects of ZnO nanocrystals synthesized by high energy ball milling (HEBM) technique in their antibacterial activities. Bulk Zinc oxide purchased from market were ball milled for 7 h, 10 h, and 15 h respectively to produce nanosized Zinc Oxide. The structural and optical modification of such synthesized particles were determined by X-ray diffraction (XRD), Scanning Electron Microscopy and Electron Paramagnetic Resonance (EPR). The antibacterial property of synthesized Zinc Oxide nanoparticles was tested using well diffusion, minimum inhibitory Concentration, minimum bacteriocidal concentration, reactive oxygen species (ROS) estimation and membrane potential determination methods. In this study we observed that antibacterial activity of ZnO nanoparticles is because of the intrinsic defects that exist as a function of difference in size and milling time.Keywords: high energy ball milling, ZnO nanoparticles, EPR, Antibacterial properties
Procedia PDF Downloads 4293912 Crosslinked Porous 3-Dimensional Cellulose Nanofibers/Gelatin Based Biocomposite Aerogels for Tissue Engineering Application
Authors: Ali Mirtaghavi, Andy Baldwin, Rajendarn Muthuraj, Jack Luo
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Recent advances in biomaterials have led to utilizing biopolymers to develop 3D scaffolds in tissue regeneration. One of the major challenges of designing biomaterials for 3D scaffolds is to mimic the building blocks similar to the extracellular matrix (ECM) of the native tissues. Biopolymer based aerogels obtained by freeze-drying have shown to provide structural similarities to the ECM owing to their 3D format and a highly porous structure with interconnected pores, similar to the ECM. Gelatin (GEL) is known to be a promising biomaterial with inherent regenerative characteristics owing to its chemical similarities to the ECM in native tissue, biocompatibility abundance, cost-effectiveness and accessible functional groups, which makes it facile for chemical modifications with other biomaterials to form biocomposites. Despite such advantages, gelatin offers poor mechanical properties, sensitive enzymatic degradation and high viscosity at room temperature which limits its application and encourages its use to develop biocomposites. Hydrophilic biomass-based cellulose nanofibrous (CNF) has been explored to use as suspension for biocomposite aerogels for the development of 3D porous structures with excellent mechanical properties, biocompatibility and slow enzymatic degradation. In this work, CNF biocomposite aerogels with various ratios of CNF:GEL) (90:10, 70:30 and 50:50) were prepared by freeze-drying technique, and their properties were investigated in terms of physicochemical, mechanical and biological characteristics. Epichlorohydrin (EPH) was used to investigate the effect of chemical crosslinking on the molecular interaction of CNF: GEL, and its effects on physicochemical, mechanical and biological properties of the biocomposite aerogels. Ultimately, chemical crosslinking helped to improve the mechanical resilience of the resulting aerogels. Amongst all the CNF-GEL composites, the crosslinked CNF: GEL (70:30) biocomposite was found to be favourable for cell attachment and viability. It possessed highly porous structure (porosity of ~93%) with pore sizes ranging from 16-110 µm, adequate mechanical properties (compression modulus of ~47 kPa) and optimal biocompatibility both in-vitro and in-vivo, as well as controlled enzymatic biodegradation, high water penetration, which could be considered a suitable option for wound healing application. In-vivo experiments showed improvement on inflammation and foreign giant body cell reaction for the crosslinked CNF: GEL (70:30) compared to the other samples. This could be due to the superior interaction of CNF with gelatin through chemical crosslinking, resulting in more optimal in-vivo improvement. In-vitro cell culture investigation on human dermal fibroblasts showed satisfactory 3D cell attachment over time. Overall, it has been observed that the developed CNF: GEL aerogel can be considered as a potential scaffold for soft tissue regeneration application.Keywords: 3D scaffolds, aerogels, Biocomposites , tissue engineering
Procedia PDF Downloads 1303911 Quantum Chemical Calculations Synthesis and Corrosion Inhibition Efficiency of Nonionic Surfactants on API X65 Steel Surface under H2s Environment
Authors: E. G. Zaki, M. A. Migahed, A. M. Al-Sabagh, E. A. Khamis
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Inhibition effect of four novel nonionic surfactants based on sulphonamide, of linear alkyl benzene sulphonic acid (LABS), was reacted with 1 mole triethylenetetramine, tetraethylenepentamine then Ethoxylation of amide X 65 type carbon steel in oil wells formation water under H2S environment was investigated by electrochemical measurements. Scanning electron microscopy (SEM) and energy dispersion X-ray (EDX) were used to characterize the steel surface. The results showed that these surfactants act as a corrosion inhibitor in and their inhibition efficiencies depend on the ethylene oxide content in the system. The obtained results showed that the percentage inhibition efficiency (η%) was increased by increasing the inhibitor concentration until the critical micelle concentration (CMC) reached The quantum chemistry calculations were carried out to study the molecular geometry and electronic structure of obtained derivatives. The energy gap between the highest occupied molecular orbital and lowest unoccupied molecular orbital has been calculated using the theoretical computations to reflect the chemical reactivity and kinetic stability of compounds.Keywords: corrosion, surfactants, steel surface, quantum
Procedia PDF Downloads 3773910 Functionalized Spherical Aluminosilicates in Biomedically Grade Composites
Authors: Damian Stanislaw Nakonieczny, Grazyna Simha Martynkova, Marianna Hundakova, G. Kratosová, Karla Cech Barabaszova
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The main aim of the research was to functionalize the surface of spherical aluminum silicates in the form of so-called cenospheres. Cenospheres are light ceramic particles with a density between 0.45 and 0.85 kgm-3 hat can be obtained as a result of separation from fly ash from coal combustion. However, their occurrence is limited to about 1% by weight of dry ash mainly derived from anthracite. Hence they are very rare and desirable material. Cenospheres are characterized by complete chemical inertness. Mohs hardness in range of 6 and completely smooth surface. Main idea was to prepare the surface by chemical etching, among others hydrofluoric acid (HF) and hydrogen peroxide, caro acid, silanization using (3-aminopropyl) triethoxysilane (APTES) and tetraethyl orthosilicate (TEOS) to obtain the maximum development and functionalization of the surface to improve chemical and mechanical connection with biomedically used polymers, i.e., polyacrylic methacrylate (PMMA) and polyetheretherketone (PEEK). These polymers are used medically mainly as a material for fixed and removable dental prostheses and PEEK spinal implants. The problem with their use is the decrease in mechanical properties over time and bacterial infections fungal during implantation and use of dentures. Hence, the use of a ceramic filler that will significantly improve the mechanical properties, improve the fluidity of the polymer during shape formation, and in the future, will be able to support bacteriostatic substances such as silver and zinc ions seem promising. In order to evaluate our laboratory work, several instrumental studies were performed: chemical composition and morphology with scanning electron microscopy with Energy-Dispersive X-Ray Probe (SEM/EDX), determination of characteristic functional groups of Fourier Transform Infrared Spectroscopy (FTIR), phase composition of X-ray Diffraction (XRD) and thermal analysis of Thermo Gravimetric Analysis/differentia thermal analysis (TGA/DTA), as well as assessment of isotherm of adsorption with Brunauer-Emmett-Teller (BET) surface development. The surface was evaluated for the future application of additional bacteria and static fungus layers. Based on the experimental work, it was found that orated methods can be suitable for the functionalization of the surface of cenosphere ceramics, and in the future it can be suitable as a bacteriostatic filler for biomedical polymers, i.e., PEEK or PMMA.Keywords: bioceramics, composites, functionalization, surface development
Procedia PDF Downloads 1203909 Solvent Free Microwave Extraction of Essential Oils: A Clean Chemical Processing in the Teaching and Research Laboratory
Authors: M. A. Ferhat, M. N. Boukhatem, F. Chemat
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Microwave Clevenger or microwave accelerated distillation (MAD) is a combination of microwave heating and distillation, performed at atmospheric pressure without added any solvent or water. Isolation and concentration of volatile compounds are performed by a single stage. MAD extraction of orange essential oil was studied using fresh orange peel from Valencia late cultivar oranges as the raw material. MAD has been compared with a conventional technique, which used a Clevenger apparatus with hydro-distillation (HD). MAD and HD were compared in term of extraction time, yields, chemical composition and quality of the essential oil, efficiency and costs of the process. Extraction of essential oils from orange peels with MAD was better in terms of energy saving, extraction time (30 min versus 3 h), oxygenated fraction (11.7% versus 7.9%), product yield (0.42% versus 0.39%) and product quality. Orange peels treated by MAD and HD were observed by scanning electronic microscopy (SEM). Micrographs provide evidence of more rapid opening of essential oil glands treated by MAD, in contrast to conventional hydro-distillation.Keywords: clevenger, microwave, extraction; hydro-distillation, essential oil, orange peel
Procedia PDF Downloads 3503908 The Use of Rice Husk Ash as a Stabilizing Agent in Lateritic Clay Soil
Authors: J. O. Akinyele, R. W. Salim, K. O. Oikelome, O. T. Olateju
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Rice Husk (RH) is the major byproduct in the processing of paddy rice. The management of this waste has become a big challenge to some of the rice producers, some of these wastes are left in open dumps while some are burn in the open space, and these two actions have been contributing to environmental pollution. This study evaluates an alternative waste management of this agricultural product for use as a civil engineering material. The RH was burn in a controlled environment to form Rice Husk Ash (RHA). The RHA was mix with lateritic clay at 0, 2, 4, 6, 8, and 10% proportion by weight. Chemical test was conducted on the open burn and controlled burn RHA with the lateritic clay. Physical test such as particle size distribution, Atterberg limits test, and density test were carried out on the mix material. The chemical composition obtained for the RHA showed that the total percentage compositions of Fe2O3, SiO2 and Al2O3 were found to be above 70% (class “F” pozzolan) which qualifies it as a very good pozzolan. The coefficient of uniformity (Cu) was 8 and coefficient of curvature (Cc) was 2 for the soil sample. The Plasticity Index (PI) for the 0, 2, 4, 6, 8. 10% was 21.0, 18.8, 16.7, 14.4, 12.4 and 10.7 respectively. The work concluded that RHA can be effectively used in hydraulic barriers and as a stabilizing agent in soil stabilization.Keywords: rice husk ash, pozzolans, paddy rice, lateritic clay
Procedia PDF Downloads 3263907 Study of Chemical and Physical - Mechanical Properties Lime Mortar with Addition of Natural Resins
Authors: I. Poot-Ocejo, H. Silva-Poot, J. C. Cruz, A. Yeladaqui-Tello
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Mexico has remarkable archaeological remains mainly in the Maya area, which are critical to the preservation of our cultural heritage, so the authorities have an interest in preserving and restoring these vestiges of the most original way, by employing techniques traditional, which has advantages such as compatibility, durability, strength, uniformity and chemical composition. Recent studies have confirmed the addition of natural resins extracted from the bark of trees, of which Brosium alicastrum (Ramon) has been the most evaluated, besides being one of the most abundant species in the vicinity of the archaeological sites, like that Manilkara Zapota (Chicozapote). Therefore, the objective is to determine if these resins are capable of being employed in archaeological restoration. This study shows the results of the chemical composition and physical-mechanical behavior of mortar mixtures eight made with commercial lime and off by hand, calcium sand, resins added with Brosium alicastrum (Ramon) and Manilkara zapota (Chicozapote), where determined and quantified properties and chemical composition of the resins by X-Ray Fluorescence (XRF), the pH of the material was determined, indicating that both resins are acidic (3.78 and 4.02), and the addition rate maximum was obtained from resins in water by means of ultrasonic baths pulses, being in the case of 10% Manilkara zapota, because it contains up to 40% rubber and for 40% alicastrum Brosium contain less rubber. Through quantitative methodology, the compressive strength 96 specimens of 5 cm x 5 cm x 5 cm of mortar binding, 72 with partial substitution of water mixed with natural resins in proportions 5 to 10% in the case was evaluated of Manilkara Zapota, for Brosium alicastrum 20 and 40%, and 12 artificial resin and 12 without additive (mortars witnesses). 24 specimens likewise glued brick with mortar, for testing shear adhesion was found where, then the microstructure more conducive additions was determined by SEM analysis were prepared sweep. The test results indicate that the addition Manilkara zapota resin in the proportion of 10% 1.5% increase in compressive strength and 1% with respect to adhesion, compared to the control without addition mortar; In the case of Brosium alicastrum results show that compressive strengths and adhesion were insignificant compared to those made with registered by Manilkara zapota mixtures. Mortars containing the natural resins have improvements in physical properties and increase the mechanical strength and adhesion, compared to those who do not, in addition to the components are chemically compatible, therefore have considered that can be employed in Archaeological restoration.Keywords: lime, mortar, natural resins, Manilkara zapota mixtures, Brosium alicastrum
Procedia PDF Downloads 3713906 Nanoprofiling of GaAs Surface in a Combined Low-Temperature Plasma for Microwave Devices
Authors: Victor S. Klimin, Alexey A. Rezvan, Maxim S. Solodovnik, Oleg A. Ageev
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In this paper, the problems of existing methods of profiling and surface modification of nanoscale arsenide-gallium structures are analyzed. The use of a combination of methods of local anodic oxidation and plasma chemical etching to solve this problem is considered. The main features that make this technology one of the promising areas of modification and profiling of near-surface layers of solids are demonstrated. In this paper, we studied the effect of formation stress and etching time on the geometrical parameters of the etched layer and the roughness of the etched surface. Experimental dependences of the thickness of the etched layer on the time and stress of formation were obtained. The surface analysis was carried out using atomic force microscopy methods, the corresponding profilograms were constructed from the obtained images, and the roughness of the etched surface was studied accordingly. It was shown that at high formation voltage, the depth of the etched surface increased, this is due to an increase in the number of active particles (oxygen ions and hydroxyl groups) formed as a result of the decomposition of water molecules in an electric field, during the formation of oxide nanostructures on the surface of gallium arsenide. Oxide layers were used as negative masks for subsequent plasma chemical etching by the STE ICPe68 unit. BCl₃ was chosen as the chlorine-containing gas, which differs from analogs in some parameters for the effect of etching of nanostructures based on gallium arsenide in the low-temperature plasma. The gas mixture of reaction chamber consisted of a buffer gas NAr = 100 cm³/min and a chlorine-containing gas NBCl₃ = 15 cm³/min at a pressure P = 2 Pa. The influence of these methods modes, which are formation voltage and etching time, on the roughness and geometric parameters, and corresponding dependences are demonstrated. Probe nanotechnology was used for surface analysis.Keywords: nanostructures, GaAs, plasma chemical etching, modification structures
Procedia PDF Downloads 1453905 Developing Cucurbitacin a Minimum Inhibition Concentration of Meloidogyne Incognita Using a Computer-Based Model
Authors: Zakheleni P. Dube, Phatu W. Mashela
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Minimum inhibition concentration (MIC) is the lowest concentration of a chemical that brings about significant inhibition of target organism. The conventional method for establishing the MIC for phytonematicides is tedious. The objective of this study was to use the Curve-fitting Allelochemical Response Data (CARD) to determine the MIC for pure cucurbitacin A on Meloidogyne incognita second-stage juveniles (J2) hatch, immobility and mortality. Meloidogyne incognita eggs and freshly hatched J2 were separately exposed to a series of pure cucurbitacin A concentrations of 0.00, 0.25, 0.50, 0.75, 1.00, 1.25, 1.50, 1.75, 2.00, 2.25 and 2.50 μg.mL⁻¹for 12, 24, 48 and 72 h in an incubator set at 25 ± 2°C. Meloidogyne incognita J2 hatch, immobility and mortality counts were determined using a stereomicroscope and the significant means were subjected to the CARD model. The model exhibited density-dependent growth (DDG) patterns of J2 hatch, immobility and mortality to increasing concentrations of cucurbitacin A. The average MIC for cucurbitacin A on M. incognita J2 hatch, immobility and mortality were 2.2, 0.58 and 0.63 µg.mL⁻¹, respectively. Meloidogyne incognita J2 hatch had the highest average MIC value followed by mortality and immobility had the least. In conclusion, the CARD model was able to generate MIC for cucurbitacin A, hence it could serve as a valuable tool in the chemical-nematode bioassay studies.Keywords: inhibition concentration, phytonematicide, sensitivity index, threshold stimulation, triterpenoids.
Procedia PDF Downloads 1923904 Effect of Cooling Approaches on Chemical Compositions, Phases, and Acidolysis of Panzhihua Titania Slag
Authors: Bing Song, Kexi Han, Xuewei Lv
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Titania slag is a high quality raw material containing titanium in the subsequent process of titanium pigment. The effects of cooling approaches of granulating, water cooling, and air cooling on chemical, phases, and acidolysis of Panzhihua titania slag were investigated. Compared to the original slag which was prepared by the conventional processing route, the results show that the titania slag undergoes oxidation of Ti3+during different cooling ways. The Ti2O3 content is 17.50% in the original slag, but it is 16.55% and 16.84% in water cooled and air-cooled slag, respectively. Especially, the Ti2O3 content in granulated slag is decreased about 27.6%. The content of Fe2O3 in granulated slag is approximately 2.86% also obviously higher than water (<0.5%) or air-cooled slag (<0.5%). Rutile in cooled titania slag was formed because of the oxidation of Ti3+. The rutile phase without a noticeable change in water cooled and air-cooled slag after the titania slag was cooled, but increased significantly in the granulated slag. The rate of sulfuric acid acidolysis of cooled slag is less than the original slag. The rate of acidolysis is 90.61% and 92.46% to the water-cooled slag and air-cooled slag, respectively. However, the rate of acidolysis of the granulated slag is less than that of industry slag about 20%, only 74.72%.Keywords: cooling approaches, titania slag, granulating, sulfuric acid acidolysis
Procedia PDF Downloads 2383903 Analysis of Chemical Composition of Raw Milk in Some Farms Animals in El Khoms, Libya
Authors: Dukali Abujnah
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This study was undertaken to knowledge the chemical composition of some farm animals (cows ) by using ultrasonic milk analyzer. This method was used first time in our country in the field of milk hygiene to determine and comparison the composition percent of raw milk for farm animals as attempt to protect the health of consumers 240 raw milk samples for each species of animals included in this study for two different season of year first (Novembe 2014 - January 2015) , second from (May – Novembe2015) .The chemical analysis. In this way, a range of building suitable to put in the Libyan market product structures, and milk, for use as a new product or exposure to treatment such as pasteurized milk and long-life may be wider study project..Controls have been implemented in operating in Libya, companies which are part of the business created by the Libyan state. It was created only after the companies that made many of the studies and research carried out on areas of Libya which it was possible to intervene. Although troops spent in recent years, companies have not yet found their balance and milk production has not yet come to those set forth in the action plans, due to problems of various types that will be discussed in this study. We believe that these data have been taken in four years if analyzed properly, can provide more accurate information to farmers in their companies want to take dairy cattle breeding. The total bacterial count was 76 and 38 cfu/ml for locally produced and imported UHT milk respectively. Coliforms were negative for all examined locally produce and imported samples. E. coli were not isolated from any of the examined UHT samples. Aerobic spore-formers count mean count was 49 and 27 cfu/ml for both examined samples respectively. Obtained results show that most of the locally produced UHT milk does not satisfy the suggested Libyan Standards for UHT milk for fat% as well as total bacterial count/ml. Economical and public health importance of the obtained results were discussed, and control measures for improving the quality of UHT locally made milk were also discussed.Keywords: locally, UHT milks, farms animals, raw milk analysis milk
Procedia PDF Downloads 2873902 Structural and Optical Properties of Silver Sulfide/Reduced Graphene Oxide Nanocomposite
Authors: Oyugi Ngure Robert, Kallen Mulilo Nalyanya, Tabitha A. Amollo
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Nanomaterials have attracted significant attention in research because of their exemplary properties, making them suitable for diverse applications. This paper reports the successful synthesis as well as the structural properties of silver sulfide/reduced graphene oxide (Ag_2 S-rGO) nanocomposite. The nanocomposite was synthesized by the chemical reduction method. Scanning electron microscopy (SEM) showed that the reduced graphene oxide (rGO) sheets were intercalated within the Ag_2 S nanoparticles during the chemical reduction process. The SEM images also showed that Ag_2 S had the shape of nanowires. Further, SEM energy dispersive X-ray (SEM EDX) showed that Ag_2 S-rGO is mainly composed of C, Ag, O, and S. X-ray diffraction analysis manifested a high crystallinity for the nanowire-shaped Ag2S nanoparticles with a d-spacing ranging between 1.0 Å and 5.2 Å. Thermal gravimetric analysis (TGA) showed that rGO enhances the thermal stability of the nanocomposite. Ag_2 S-rGO nanocomposite exhibited strong optical absorption in the UV region. The formed nanocomposite is dispersible in polar and non-polar solvents, qualifying it for solution-based device processing.Keywords: silver sulfide, reduced graphene oxide, nanocomposite, structural properties, optical properties
Procedia PDF Downloads 1013901 Enhanced Magnetic Hyperthermic Efficiency of Ferrite Based Nanoparticles
Authors: J. P. Borah, R. D. Raland
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Hyperthermia is one of many techniques used destroys cancerous cell. It uses the physical methods to heat certain organ or tissue delivering an adequate temperature in an appropriate period of time, to the entire tumor volume for achieving optimal therapeutic results. Magnetic Metal ferrites nanoparticles (MFe₂O₄ where M = Mn, Zn, Ni, Co, Mg, etc.) are one of the most potential candidates for hyperthermia due to their tunability, biocompatibility, chemical stability and notable ability to mediate high rate of heat induction. However, to obtain the desirable properties for these applications, it is important to optimize their chemical composition, structure and magnetic properties. These properties are mainly sensitive to cation distribution of tetrahedral and octahedral sites. Among the ferrites, zinc ferrite (ZnFe₂O₄) and Manganese ferrite ((MnFe₂O₄) is one of a strong candidate for hyperthermia application because Mn and zinc have a non-magnetic cation and therefore the magnetic property is determined only by the cation distribution of iron, which provides a better platform to manipulate or tailor the properties. In this talk, influence of doping and surfactant towards cation re-distribution leading to an enhancement of magnetic properties of ferrite nanoparticles will be demonstrated. The efficiency of heat generation in association with the enhanced magnetic property is also well discussed in this talk.Keywords: magnetic nanoparticle, hyperthermia, x-ray diffraction, TEM study
Procedia PDF Downloads 1653900 Contributions of Natural and Human Activities to Urban Surface Runoff with Different Hydrological Scenarios (Orléans, France)
Authors: Al-Juhaishi Mohammed, Mikael Motelica-Heino, Fabrice Muller, Audrey Guirimand-Dufour, Christian Défarge
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This study aims at improving the urban hydrological cycle of the Orléans agglomeration (France) and understanding the relationship between physical and chemical parameters of urban surface runoff and the hydrological conditions. In particular water quality parameters such as pH, conductivity, total dissolved solids, major dissolved cations and anions, and chemical and biological oxygen demands were monitored for three types of urban water discharges (wastewater treatment plant output (WWTP), storm overflow and stormwater outfall) under two hydrologic scenarii (dry and wet weather). The first results were obtained over a period of five months.Each investigated (Ormes and l’Egoutier) outfall represents an urban runoff source that receives water from runoff roads, gutters, the irrigation of gardens and other sources of flow over the Earth’s surface that drains in its catchments and carries it to the Loire River. In wet weather conditions there is rain water runoff and an additional input from the roof gutters that have entered the stormwater system during rainfall. For the comparison the results La Chilesse is a storm overflow that was selected in our study as a potential source of waste water which is located before the (WWTP).The comparison of the physical-chemical parameters (total dissolved solids, turbidity, pH, conductivity, dissolved organic carbon (DOC), concentration of major cations and anions) together with the chemical oxygen demand (COD) and biological oxygen demand (BOD) helped to characterize sources of runoff waters in the different watersheds. It also helped to highlight the infiltration of wastewater in some stormwater systems that reject directly in the Loire River. The values of the conductivity measured in the outflow of Ormes were always higher than those measured in the other two outlets. The results showed a temporal variation for the Ormes outfall of conductivity from 1465 µS cm-1 in the dry weather flow to 650 µS cm-1 in the wet weather flow and also a spatial variation in the wet weather flow from 650 µS cm-1 in the Ormes outfall to 281 μS cm-1 in L’Egouttier outfall. The ultimate BOD (BOD28) showed a significant decrease in La Corne outfall from 210 mg L-1 in the wet weather flow to 75 mg L-1 in the dry weather flow because of the nutrient load that was transported by the runoff.Keywords: BOD, COD, the Loire River, urban hydrology, urban dry and wet weather discharges, macronutrients
Procedia PDF Downloads 2673899 Formation of ZnS/ZnO Heterojunction for Photocatalytic Hydrogen Evolution Using Partial Oxidation and Chemical Precipitation Synthesis Methods
Authors: Saba Didarataee, Abbas Ali Khodadadi, Yadollah Mortazavi, Fatemeh Mousavi
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Photocatalytic water splitting is one of the most attractive alternative methods for hydrogen evolution. A variety of nanoparticle engineering techniques were introduced to improve the activity of semiconductor photocatalysts. Among these methods, heterojunction formation is an appealing method due to its ability to effectively preventing electron-hole recombination and improving photocatalytic activity. Reaching an optimal ratio of the two target semiconductors for the formation of heterojunctions is still an open question. Considering environmental issues as well as the cost and availability, ZnS and ZnO are frequently studied as potential choices. In this study, first, the ZnS nanoparticle was synthesized in a hydrothermal process; the formation of ZnS nanorods with a diameter of 14-30 nm was confirmed by field emission scanning electron microscope (FESEM). Then two different methods, partial oxidation and chemical precipitation were employed to construct ZnS/ZnO core-shell heterojunction. X-ray diffraction (XRD), BET, and diffuse reflectance spectroscopy (DRS) analysis were carried out to determine crystallite phase, surface area, and bandgap of photocatalysts. Furthermore, the temperature of oxidation was specified by a temperature programmed oxidation (TPO) and was fixed at 510℃, at which mild oxidation occurred. The bandgap was calculated by the Kubelka-Munk method and decreased by increasing oxide content from 3.53 (pure ZnS) to 3.18 (pure ZnO). The optimal samples were determined by testing the photocatalytic activity of hydrogen evolution in a quartz photoreactor with side irradiation of UVC lamps with a wavelength of 254 nm. In both procedures, it was observed that the photocatalytic activity of the ZnS/ZnO composite was sensibly higher than the pure ZnS and ZnO, which is attributed to forming a type-II heterostructure. The best ratio of oxide to sulfide was 0.24 and 0.37 in partial oxidation and chemical precipitation, respectively. The highest hydrogen evolution was 1081 µmol/gr.h, gained from partial oxidizing of ZnS nanoparticles at 510℃ for 30 minutes.Keywords: heterostructure, hydrogen, partial oxidation, photocatalyst, water splitting, ZnS
Procedia PDF Downloads 1283898 Physicochemical and Bacteriological Quality Characterization of Some Selected Wells in Ado-Ekiti, Nigeria
Authors: Olu Ale, Olugbenga Aribisala, Sanmi Awopetu
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Groundwater (Wells) is obtained from several well-defined and different water-bearing geological layers or strata. The physical, chemical and bacteriological quality of the water contributed from each of these water-bearing formations and resultant effects of indiscriminate wastes disposal will be dependent on the dissolution of material within the formation. Therefore, water withdrawn from any ground water source will be a composite of these individual aquifers. The water quality was determined by actual sampling and analysis of the completed wells. This study attempted to examine the physicochemical and bacteriological water quality of twenty five selected wells comprising twenty boreholes (deep wells) and five hand dug wells (shallow wells). The twenty five wells cut across the entire Ado Ekiti Metropolitan area. The water samples collected using standard method was promptly taken to water laboratory at the Federal Polytechnic Ado-Ekiti for analysis, physical, chemical and bacteriological tests were carried out. Quality characteristics tested were found to meet WHO’s standard and generally acceptable, making it potable for drinking in most situations, thus encouraging the use of groundwater. Possible improvement strategies to groundwater exploitation were highlighted while remedies to poor quality water were suggested.Keywords: bacteriological, physicochemical, quality, wells, Ado Ekiti
Procedia PDF Downloads 3683897 Vitamin C Enhances Growth and Productivity of Sunflower Plants Grown under Newly-Reclaimed Saline Soil Conditions
Authors: Saad M. Howladar, Mostafa M. Rady, Wael M. Semida
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A field experiment was conducted during the two successive seasons of 2012 and 2013 in the Experimental Farm (newly-reclaimed saline soil; EC = 7.8 dS m-1), Faculty of Agriculture, Fayoum University, Fayoum, Egypt to investigate the effect of vitamin C foliar application at the rates of 1, 2, 3 and 4 mM on the possibility of improving growth, seed and oil yields, and some chemical constituents of Helianthus annuus L. plants under the adverse conditions of the selected soil. Significant positive influences of all vitamin C treatments were observed on growth, seed and oil yields and some chemical constituents in both seasons. Compared to unsprayed plants (control), spraying plants with various rates of vitamin C significantly increased vegetative growth traits (i.e. plant height, No. of leaves plant-1, leaf area leaf-1, total leaves area plant-1, and dry weights of leaves and shoot plant-1) and seed and oil yields and their components (i.e. head diameter, seed weight head-1, 100-seed weight, seed yield feddan-1 and oil yield feddan-1). In addition, the concentrations of chlorophyll a, chlorophyll b, total chlorophylls, total carotenoids and total phenols in fresh leaves, and total carbohydrates, total soluble sugars, free proline and some nutrients (i.e. N, P, K, Fe, Mn, and Zn) in dry leaves were also increased significantly with all vitamin C applications. Vitamin C treatment at the rate of 3 mM was generated the best results. These results are important as the potential of vitamin C to alleviate the harmful effects of salt stress offer an opportunity to increase the resistance of sunflower plants to grow under saline conditions of the newly-reclaimed soils.Keywords: sunflower, Helianthus annuus L., ascorbic acid, salinity, growth, seed yield, oil content, chemical composition
Procedia PDF Downloads 4603896 A Comparative Performance of Polyaspartic Acid and Sodium Polyacrylate on Silicate Scale Inhibition
Authors: Ismail Bin Mohd Saaid, Abubakar Abubakar Umar
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Despite the successes recorded by Alkaline/Surfactant/Polymer (ASP) flooding as an effective chemical EOR technique, the combination CEOR is not unassociated with stern glitches, one of which is the scaling of downhole equipment. One of the major issues inside the oil industry is how to control scale formation, regardless of whether it is in the wellhead equipment, down-hole pipelines or even the actual field formation. The best approach to handle the challenge associated with oilfield scale formation is the application of scale inhibitors to avert the scale formation. Chemical inhibitors have been employed in doing such. But due to environmental regulations, the industry have focused on using green scale inhibitors to mitigate the formation of scales. This paper compares the scale inhibition performance of Polyaspartic acid and sodium polyacrylic acid, both commercial green scale inhibitors, in mitigating silicate scales formed during Alkaline/Surfactant/polymer flooding under static conditions. Both PASP and TH5000 are non-threshold inhibitors, therefore their efficiency was only seeing in delaying the deposition of the silicate scales.Keywords: alkaline/surfactant/polymer flooding (ASP), polyaspartic acid (PASP), sodium polyacrylate (SPA)
Procedia PDF Downloads 3523895 Analysis of Indoor Air Quality and Sick Building Syndrome in Control Room Oil Gas Refinery
Authors: Dessy Laksyana Utami
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The sick building syndrome comprises of various nonspecific symptoms that occur in the occupants of a building. It is commonly increases sickness absenteeism and causes a decrease in productivity of the workers. Evidence suggests that what is called the Sick Building Syndrome are at least three separate entities, which has at least one cause. The following are some of the factors that might be primarily responsible for Sick Building Syndrome such as: Chemical contaminants, Biological contaminants, Inadequate ventilation and Electromagnetic radiation. In many cases it is due to insufficient maintenance of the HVAC (heating, ventilation, air conditioning) system in the building. As this syndrome is increasingly becoming a major occupational hazard. It was used the analytic cross-sectional design. Based on data obtained 80% of respondents reported significant ongoing health problems in the eyes, head, and the nose. 60% had bad symptoms in the throat, the stomach and cough, 50% had gastrointestinal disorders, 40% fatigue and 25% occurred all symptoms sick building syndrome. The 40 respondents were recruited to the study, with a mean age of 35 years (range 20-55). To support the evidence of Sick Building Syndrome, further checks are needed for some of the factors in next research, i.e. measurement of Chemical contaminants, Biological contaminants, inadequate ventilation & Electromagnetic radiation.Keywords: indoor air pollution, sick building syndrome, indoor air quality, oil gas polution
Procedia PDF Downloads 1403894 Synthesis of Pendent Compartmental Ligand Derived from Polymethacrylate of 3-Formylsalicylic Acid Schiff Base and Its Application Studies
Authors: Dhivya Arumugam, Kaliyappan Thananjeyan
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The monomer of (3-((4-(methacryloyloxy)phenylimino)methyl)-2-hydroxybenzoic acid) schiff base polymer was prepared by reacting methacryloyl chloride with imine compound derived from 3-formylsalisylic acid and 4- aminophenol. The monomer was polymerized in DMF at 70oC using benzoyl peroxide as free radical initiator. Polymer metal complex was obtained in DMF solution of polymer with aqueous solution of metal ions. The polymer and the polymer metal complex were characterized by elemental analysis and spectral studies. The elemental analysis data suggest that the metal to ligand ratio is 1:1 and hence, it acts as a binucleating compartmental ligand. The IR spectral data of these complexes suggest that the metals are coordinated through nitrogen of the imine group, the oxygen of carboxylate ion and the oxygen of the phenolic –OH group which also acts as the bridging ligand. The electronic spectra and magnetic moments of the polychelates shows that octahedral and square planar structure for Ni(II) and Cu(II) complexes respectively. X-ray diffraction studies revealed that polychelates are highly crystalline. The thermal and electrical properties, catalytic activity, structure property relationships are discussed. Further the synthesized polymer was used for metal uptake studies from waste water, which is one of the effective waste water treatment strategies. And also, the polymers and polychelates were investigated for antimicrobial activity with various microorganisms by using agar well diffusion method and the results have been discussed.Keywords: acyclic compartmental ligands, binucleating ligand, 3-formylsalicylic acid, free radical polymerization, polluting ions, polychelate
Procedia PDF Downloads 1283893 Quantum Chemical Prediction of Standard Formation Enthalpies of Uranyl Nitrates and Its Degradation Products
Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet
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All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis
Procedia PDF Downloads 1893892 Quartz Crystal Microbalance Based Hydrophobic Nanosensor for Lysozyme Detection
Authors: F. Yılmaz, Y. Saylan, A. Derazshamshir, S. Atay, A. Denizli
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Quartz crystal microbalance (QCM), high-resolution mass-sensing technique, measures changes in mass on oscillating quartz crystal surface by measuring changes in oscillation frequency of crystal in real time. Protein adsorption techniques via hydrophobic interaction between protein and solid support, called hydrophobic interaction chromatography (HIC), can be favorable in many cases. Some nanoparticles can be effectively applied for HIC. HIC takes advantage of the hydrophobicity of proteins by promoting its separation on the basis of hydrophobic interactions between immobilized hydrophobic ligands and nonpolar regions on the surface of the proteins. Lysozyme is found in a variety of vertebrate cells and secretions, such as spleen, milk, tears, and egg white. Its common applications are as a cell-disrupting agent for extraction of bacterial intracellular products, as an antibacterial agent in ophthalmologic preparations, as a food additive in milk products and as a drug for treatment of ulcers and infections. Lysozyme has also been used in cancer chemotherapy. The aim of this study is the synthesis of hydrophobic nanoparticles for Lysozyme detection. For this purpose, methacryoyl-L-phenylalanine was chosen as a hydrophobic matrix. The hydrophobic nanoparticles were synthesized by micro-emulsion polymerization method. Then, hydrophobic QCM nanosensor was characterized by Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and zeta size analysis. Hydrophobic QCM nanosensor was tested for real-time detection of Lysozyme from aqueous solution. The kinetic and affinity studies were determined by using Lysozyme solutions with different concentrations. The responses related to a mass (Δm) and frequency (Δf) shifts were used to evaluate adsorption properties.Keywords: nanosensor, HIC, lysozyme, QCM
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