Search results for: gas metal arc weld (GMAW)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2560

Search results for: gas metal arc weld (GMAW)

1600 Bimetallic Silver-Platinum Core-Shell Nanoparticles Formation and Spectroscopic Analysis

Authors: Mangaka C. Matoetoe, Fredrick O. Okumu

Abstract:

Metal nanoparticles have attracted a great interest in scientific research and industrial applications, owing to their unique large surface area-to-volume ratios and quantum-size effects. Supported metal nanoparticles play a pivotal role in areas such as nanoelectronics, energy storage and as catalysts for the sustainable production of fuels and chemicals. Monometallics (Ag, Pt) and Silver-platinum (Ag-Pt) bimetallic (BM) nanoparticles (NPs) with a mole fraction (1:1) were prepared by reduction / co-reduction of hexachloroplatinate and silver nitrate with sodium citrate. The kinetics of the nanoparticles formation was monitored using UV-visible spectrophotometry. Transmission electron microscopy (TEM) and Energy-dispersive X-ray (EDX) spectroscopy were used for size, film morphology as well as elemental composition study. Fast reduction processes was noted in Ag NPs (0.079 s-1) and Ag-Pt NPs 1:1 (0.082 s-1) with exception of Pt NPs (0.006 s-1) formation. The UV-visible spectra showed characteristic peaks in Ag NPs while the Pt NPs and Ag-Pt NPs 1:1 had no observable absorption peaks. UV visible spectra confirmed chemical reduction resulting to formation of NPs while TEM images depicted core-shell arrangement in the Ag-Pt NPs 1:1 with particle size of 20 nm. Monometallic Ag and Pt NPs reported particle sizes of 60 nm and 2.5 nm respectively. The particle size distribution in the BM NPs was found to directly depend on the concentration of Pt NPs around the Ag core. EDX elemental composition analysis of the nanoparticle suspensions confirmed presence of the Ag and Pt in the Ag-Pt NPs 1:1. All the spectroscopic analysis confirmed the successful formation of the nanoparticles.

Keywords: kinetics, morphology, nanoparticles, platinum, silver

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1599 Multi-Omics Investigation of Ferroptosis-Related Gene Expression in Ovarian Aging and the Impact of Nutritional Intervention

Authors: Chia-Jung Li, Kuan-Hao Tsui

Abstract:

As women age, the quality of their oocytes deteriorates irreversibly, leading to reduced fertility. To better understand the role of Ferroptosis-related genes in ovarian aging, we employed a multi-omics analysis approach, including spatial transcriptomics, single-cell RNA sequencing, human ovarian pathology, and clinical biopsies. Our study identified excess lipid peroxide accumulation in aging germ cells, metal ion accumulation via oxidative reduction, and the interaction between ferroptosis and cellular energy metabolism. We used multi-histological prediction of ferroptosis key genes to evaluate 75 patients with ovarian aging insufficiency and then analyzed changes in hub genes after supplementing with DHEA, Ubiquinol CoQ10, and Cleo-20 T3 for two months. Our results demonstrated a significant increase in TFRC, GPX4, NCOA4, and SLC3A2, which were consistent with our multi-component prediction. We theorized that these supplements increase the mitochondrial tricarboxylic acid cycle (TCA) or electron transport chain (ETC), thereby increasing antioxidant enzyme GPX4 levels and reducing lipid peroxide accumulation and ferroptosis. Overall, our findings suggest that supplementation intervention significantly improves IVF outcomes in senescent cells by enhancing metal ion and energy metabolism and enhancing oocyte quality in aging women.

Keywords: multi-omics, nutrients, ferroptosis, ovarian aging

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1598 Synthesis of Iron Oxide Nanoparticles Using Different Stabilizers and Study of Their Size and Properties

Authors: Mohammad Hassan Ramezan zadeh 1 , Majid Seifi 2 , Hoda Hekmat ara 2 1Biomedical Engineering Department, Near East University, Nicosia, Cyprus 2Physics Department, Guilan University , P.O. Box 41335-1914, Rasht, Iran.

Abstract:

Magnetic nano particles of ferric chloride were synthesised using a co-precipitation technique. For the optimal results, ferric chloride at room temperature was added to different surfactant with different ratio of metal ions/surfactant. The samples were characterised using transmission electron microscopy, X-ray diffraction and Fourier transform infrared spectrum to show the presence of nanoparticles, structure and morphology. Magnetic measurements were also carried out on samples using a Vibrating Sample Magnetometer. To show the effect of surfactant on size distribution and crystalline structure of produced nanoparticles, surfactants with various charge such as anionic cetyl trimethyl ammonium bromide (CTAB), cationic sodium dodecyl sulphate (SDS) and neutral TritonX-100 was employed. By changing the surfactant and ratio of metal ions/surfactant the size and crystalline structure of these nanoparticles were controlled. We also show that using anionic stabilizer leads to smallest size and narrowest size distribution and the most crystalline (polycrystalline) structure. In developing our production technique, many parameters were varied. Efforts at reproducing good yields indicated which of the experimental parameters were the most critical and how carefully they had to be controlled. The conditions reported here were the best that we encountered but the range of possible parameter choice is so large that these probably only represent a local optimum. The samples for our chemical process were prepared by adding 0.675 gr ferric chloride (FeCl3, 6H2O) to three different surfactant in water solution. The solution was sonicated for about 30 min until a transparent solution was achieved. Then 0.5 gr sodium hydroxide (NaOH) as a reduction agent was poured to the reaction drop by drop which resulted to participate reddish brown Fe2O3 nanoparticles. After washing with ethanol the obtained powder was calcinated in 600°C for 2h. Here, the sample 1 contained CTAB as a surfactant with ratio of metal ions/surfactant 1/2, sample 2 with CTAB and ratio 1/1, sample 3 with SDS and ratio 1/2, sample 4 SDS 1/1, sample 5 is triton-X-100 with 1/2 and sample 6 triton-X-100 with 1/1.

Keywords: iron oxide nanoparticles, stabilizer, co-precipitation, surfactant

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1597 Estimation of the Exergy-Aggregated Value Generated by a Manufacturing Process Using the Theory of the Exergetic Cost

Authors: German Osma, Gabriel Ordonez

Abstract:

The production of metal-rubber spares for vehicles is a sequential process that consists in the transformation of raw material through cutting activities and chemical and thermal treatments, which demand electricity and fossil fuels. The energy efficiency analysis for these cases is mostly focused on studying of each machine or production step, but is not common to study of the quality of the production process achieves from aggregated value viewpoint, which can be used as a quality measurement for determining of impact on the environment. In this paper, the theory of exergetic cost is used for determining of aggregated exergy to three metal-rubber spares, from an exergy analysis and thermoeconomic analysis. The manufacturing processing of these spares is based into batch production technique, and therefore is proposed the use of this theory for discontinuous flows from of single models of workstations; subsequently, the complete exergy model of each product is built using flowcharts. These models are a representation of exergy flows between components into the machines according to electrical, mechanical and/or thermal expressions; they determine the demanded exergy to produce the effective transformation in raw materials (aggregated exergy value), the exergy losses caused by equipment and irreversibilities. The energy resources of manufacturing process are electricity and natural gas. The workstations considered are lathes, punching presses, cutters, zinc machine, chemical treatment tanks, hydraulic vulcanizing presses and rubber mixer. The thermoeconomic analysis was done by workstation and by spare; first of them describes the operation of the components of each machine and where the exergy losses are; while the second of them estimates the exergy-aggregated value for finished product and wasted feedstock. Results indicate that exergy efficiency of a mechanical workstation is between 10% and 60% while this value in the thermal workstations is less than 5%; also that each effective exergy-aggregated value is one-thirtieth of total exergy required for operation of manufacturing process, which amounts approximately to 2 MJ. These troubles are caused mainly by technical limitations of machines, oversizing of metal feedstock that demands more mechanical transformation work, and low thermal insulation of chemical treatment tanks and hydraulic vulcanizing presses. From established information, in this case, it is possible to appreciate the usefulness of theory of exergetic cost for analyzing of aggregated value in manufacturing processes.

Keywords: exergy-aggregated value, exergy efficiency, thermoeconomics, exergy modeling

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1596 Effect of Punch and Die Profile Radii on the Maximum Drawing Force and the Total Consumed Work in Deep Drawing of a Flat Ended Cylindrical Brass

Authors: A. I. O. Zaid

Abstract:

Deep drawing is considered to be the most widely used sheet metal forming processes among the particularly in automobile and aircraft industries. It is widely used for manufacturing a large number of the body and spare parts. In its simplest form it may be defined as a secondary forming process by which a sheet metal is formed into a cylinder or alike by subjecting the sheet to compressive force through a punch with a flat end of the same geometry as the required shape of the cylinder end while it is held by a blank holder which hinders its movement but does not stop it. The punch and die profile radii play In this paper, the effects of punch and die profile radii on the autographic record, the minimum thickness strain location where the cracks normally start and cause the fracture, the maximum deep drawing force and the total consumed work in the drawing flat ended cylindrical brass cups are investigated. Five punches and five dies each having different profile radii were manufactured for this investigation. Furthermore, their effect on the quality of the drawn cups is also presented and discussed. It was found that the die profile radius has more effect on the maximum drawing force and the total consumed work than the punch profile radius.

Keywords: punch and die profile radii, deep drawing process, maximum drawing force, total consumed work, quality of produced parts, flat ended cylindrical brass cups

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1595 Depression of Copper-Activated Pyrite by Potassium Ferrate in Copper Ore Flotation Using High Salinity Process Water

Authors: Yufan Mu

Abstract:

High salinity process water (HSPW) is often applied in copper ore flotation to alleviate freshwater shortage; however, it is detrimental to copper flotation as it strongly enhances copper activation of pyrite. In this study, the depression effect of a strong oxidiser, potassium ferrate (𝐾₂𝐹₄), on the flotation of copper-activated pyrite was tested to realise the selective separation of pyrite from copper minerals (e.g., chalcopyrite) in flotation using HSPW. The flotation results show that when (𝐾₂𝐹₄) was added in the flotation cell during conditioning, (𝐾₂𝐹₄) could selectively depress copper-activated pyrite while improving chalcopyrite flotation. The depression mechanism of (𝐾₂𝐹₄) on pyrite was ascribed to the significant increase in the pulp potential (Eₕ), dissolved oxygen (DO) concentration and the amount of ferric oxyhydroxides as a result of ferrate decomposition. In the flotation cell, the high Eh and DO concentration promoted the oxidation of low valency metal species (𝐶⁺𝐹e²⁺) released from mineral surfaces and forged steel grinding media, and the resultant high valency metal oxyhydroxides 𝐶u(𝑂H)₂⁄Fe(OH)₃ together with the ferric oxyhydroxides from ferrate decomposition preferentially precipitated on pyrite surface due to its more cathodic nature compared with chalcopyrite, which increased pyrite surface hydrophilicity and reduced its floatability. This study reveals that (𝐾₂𝐹₄) is a highly efficient depressant for pyrite when separating copper minerals from pyrite in flotation using HSPW if dosed properly.

Keywords: copper flotation, pyrite depression, copper-activated pyrite, potassium ferrate, high salinity process water

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1594 Ultrathin Tin-Silicalite 1 Zeolite Membrane in Ester Solvent Recovery

Authors: Kun Liang Ang, Eng Toon Saw, Wei He, Xuecheng Dong, Seeram Ramakrishna

Abstract:

Ester solvents are widely used in pharmaceutical, printing and flavor industry due to their good miscibility, low toxicity, and high volatility. Through pervaporation, these ester solvents can be recovered from industrial wastewater. While metal-doped silicalite 1 zeolite membranes are commonly used in organic solvent recovery in the pervaporation process, these ceramic membranes suffer from low membrane permeation flux, mainly due to the high thickness of the metal-doped zeolite membrane. Herein, a simple method of fabricating an ultrathin tin-silicalite 1 membrane supported on alumina tube is reported. This ultrathin membrane is able to achieve high permeation flux and separation factor for an ester in a diluted aqueous solution. Nanosized tin-Silicalite 1 seeds which are smaller than 500nm has been formed through hydrothermal synthesis. The sn-Silicalite 1 seeds were then seeded onto alumina tube through dip coating, and the tin-Silicalite 1 membrane was then formed by hydrothermal synthesis in an autoclave through secondary growth method. Multiple membrane synthesis factors such as seed size, ceramic substrate surface pore size selection, and secondary growth conditions were studied for their effects on zeolite membrane growth. The microstructure, morphology and the membrane thickness of tin-Silicalite 1 zeolite membrane were examined. The membrane separation performance and stability will also be reported.

Keywords: ceramic membrane, pervaporation, solvent recovery, Sn-MFI zeolite

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1593 Comparative Study of Ni Catalysts Supported by Silica and Modified by Metal Additions Co and Ce for The Steam Reforming of Methane

Authors: Ali Zazi, Ouiza Cherifi

Abstract:

The Catalysts materials Ni-SiO₂, Ni-Co-SiO₂ and Ni-Ce-SiO₂ were synthetized by classical method impregnation and supported by silica. This involves combing the silica with an adequate rate of the solution of nickel nitrates, or nickel nitrate and cobalt nitrate, or nickel nitrate and cerium nitrate, mixed, dried and calcined at 700 ° c. These catalysts have been characterized by different physicochemical analysis techniques. The atomic absorption spectrometry indicates that the real contents of nickel, cerium and cobalt are close to the theoretical contents previously assumed, which let's say that the nitrate solutions have impregnated well the silica support. The BET results show that the surface area of the specific surfaces decreases slightly after impregnation with nickel nitrates or Co and Ce metals and a further slight decrease after the reaction. This is likely due to coke deposition. X-ray diffraction shows the presence of the different SiO₂ and NiO phases for all catalysts—theCoO phase for that promoted by Co and the Ce₂O₂ phase for that promoted by Ce. The methane steam reforming reaction was carried out on a quartz reactor in a fixed bed. Reactants and products of the reaction were analyzed by a gas chromatograph. This study shows that the metal addition of Cerium or Cobalt improves the majority of the catalytic performance of Ni for the steam reforming reaction of methane. And we conclude the classification of our Catalysts in order of decreasing activity and catalytic performances as follows: Ni-Ce / SiO₂ >Ni-Co / SiO₂> Ni / SiO₂ .

Keywords: cerium, cobalt, heterogeneous catalysis, hydrogen, methane, steam reforming, synthesis gas

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1592 Acetic Acid Adsorption and Decomposition on Pt(111): Comparisons to Ni(111)

Authors: Lotanna Ezeonu, Jason P. Robbins, Ziyu Tang, Xiaofang Yang, Bruce E. Koel, Simon G. Podkolzin

Abstract:

The interaction of organic molecules with metal surfaces is of interest in numerous technological applications, such as catalysis, bone replacement, and biosensors. Acetic acid is one of the main products of bio-oils produced from the pyrolysis of hemicellulosic feedstocks. However, their high oxygen content makes them unsuitable for use as fuels. Hydrodeoxygenation is a proven technique for catalytic deoxygenation of bio-oils. An understanding of the energetics and control of the bond-breaking sequences of biomass-derived oxygenates on metal surfaces will enable a guided optimization of existing catalysts and the development of more active/selective processes for biomass transformations to fuels. Such investigations have been carried out with the aid of ultrahigh vacuum and its concomitant techniques. The high catalytic activity of platinum in biomass-derived oxygenate transformations has sparked a lot of interest. We herein exploit infrared reflection absorption spectroscopy(IRAS), temperature-programmed desorption(TPD), and density functional theory(DFT) to study the adsorption and decomposition of acetic acid on a Pt(111) surface, which was then compared with Ni(111), a model non-noble metal. We found that acetic acid adsorbs molecularly on the Pt(111) surface, interacting through the lone pair of electrons of one oxygen atomat 90 K. At 140 K, the molecular form is still predominant, with some dissociative adsorption (in the form of acetate and hydrogen). Annealing to 193 K led to complete dehydrogenation of molecular acetic acid species leaving adsorbed acetate. At 440 K, decomposition of the acetate species occurs via decarbonylation and decarboxylation as evidenced by desorption peaks for H₂,CO, CO₂ and CHX fragments (x=1, 2) in theTPD.The assignments for the experimental IR peaks were made using visualization of the DFT-calculated vibrational modes. The results showed that acetate adsorbs in a bridged bidentate (μ²η²(O,O)) configuration. The coexistence of linear and bridge bonded CO was also predicted by the DFT results. Similar molecular acid adsorption energy was predicted in the case of Ni(111) whereas a significant difference was found for acetate adsorption.

Keywords: acetic acid, platinum, nickel, infared-absorption spectrocopy, temperature programmed desorption, density functional theory

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1591 Demetallization of Crude Oil: Comparative Analysis of Deasphalting and Electrochemical Removal Methods of Ni and V

Authors: Nurlan Akhmetov, Abilmansur Yeshmuratov, Aliya Kurbanova, Gulnar Sugurbekova, Murat Baisariyev

Abstract:

Extraction of the vanadium and nickel compounds is complex due to the high stability of porphyrin, nickel is catalytic poison which deactivates catalysis during the catalytic cracking of the oil, while vanadyl is abrasive and valuable metal. Thus, high concentration of the Ni and V in the crude oil makes their removal relevant. Two methods of the demetallization of crude oil were tested, therefore, the present research is conducted for comparative analysis of the deasphalting with organic solvents (cyclohexane, carbon tetrachloride, chloroform) and electrochemical method. Percentage of Ni extraction reached maximum of approximately 55% by using the electrochemical method in electrolysis cell, which was developed for this research and consists of three sections: oil and protonating agent (EtOH) solution between two conducting membranes which divides it from two capsules of 10% sulfuric acid and two graphite electrodes which cover all three parts in electrical circuit. Ions of metals pass through membranes and remain in acid solutions. The best result was obtained in 60 minutes with ethanol to oil ratio 25% to 75% respectively, current fits in to the range from 0.3A to 0.4A, voltage changed from 12.8V to 17.3V. Maximum efficiency of deasphalting, with cyclohexane as the solvent, in Soxhlet extractor was 66.4% for Ni and 51.2% for V. Thus, applying the voltammetry, ICP MS (Inductively coupled plasma mass spectrometry) and AAS (atomic absorption spectroscopy), these mentioned types of metal extraction methods were compared in this paper.

Keywords: electrochemistry, deasphalting of crude oil, demetallization of crude oil, petrolium engineering

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1590 Approximation of PE-MOCVD to ALD for TiN Concerning Resistivity and Chemical Composition

Authors: D. Geringswald, B. Hintze

Abstract:

The miniaturization of circuits is advancing. During chip manufacturing, structures are filled for example by metal organic chemical vapor deposition (MOCVD). Since this process reaches its limits in case of very high aspect ratios, the use of alternatives such as the atomic layer deposition (ALD) is possible, requiring the extension of existing coating systems. However, it is an unsolved question to what extent MOCVD can achieve results similar as an ALD process. In this context, this work addresses the characterization of a metal organic vapor deposition of titanium nitride. Based on the current state of the art, the film properties coating thickness, sheet resistance, resistivity, stress and chemical composition are considered. The used setting parameters are temperature, plasma gas ratio, plasma power, plasma treatment time, deposition time, deposition pressure, number of cycles and TDMAT flow. The derived process instructions for unstructured wafers and inside a structure with high aspect ratio include lowering the process temperature and increasing the number of cycles, the deposition and the plasma treatment time as well as the plasma gas ratio of hydrogen to nitrogen (H2:N2). In contrast to the current process configuration, the deposited titanium nitride (TiN) layer is more uniform inside the entire test structure. Consequently, this paper provides approaches to employ the MOCVD for structures with increasing aspect ratios.

Keywords: ALD, high aspect ratio, PE-MOCVD, TiN

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1589 Opto-Thermal Frequency Modulation of Phase Change Micro-Electro-Mechanical Systems

Authors: Syed A. Bukhari, Ankur Goswmai, Dale Hume, Thomas Thundat

Abstract:

Here we demonstrate mechanical detection of photo-induced Insulator to metal transition (MIT) in ultra-thin vanadium dioxide (VO₂) micro strings by using < 100 µW of optical power. Highly focused laser beam heated the string locally resulting in through plane and along axial heat diffusion. Localized temperature increase can cause temperature rise > 60 ºC. The heated region of VO₂ can transform from insulating (monoclinic) to conducting (rutile) phase leading to lattice compressions and stiffness increase in the resonator. The mechanical frequency of the resonator can be tuned by changing optical power and wavelength. The first mode resonance frequency was tuned in three different ways. A decrease in frequency below a critical optical power, a large increase between 50-120 µW followed by a large decrease in frequency for optical powers greater than 120 µW. The dynamic mechanical response was studied as a function of incident optical power and gas pressure. The resonance frequency and amplitude of vibration were found to be decreased with increasing laser power from 25-38 µW and increased by1-2 % when the laser power was further increased to 52 µW. The transition in films was induced and detected by a single pump and probe source and by employing external optical sources of different wavelengths. This trend in dynamic parameters of the strings can be co-related with reversible Insulator to metal transition in VO₂ films which creates change in density of the material and hence the overall stiffness of the strings leading to changes in string dynamics. The increase in frequency at a particular optical power manifests a transition to a more ordered metallic phase which tensile stress onto the string. The decrease in frequency at higher optical powers can be correlated with poor phonon thermal conductivity of VO₂ in conducting phase. Poor thermal conductivity of VO₂ can force in-plane penetration of heat causing the underneath SiN supporting VO₂ which can result as a decrease in resonance frequency. This noninvasive, non-contact laser-based excitation and detection of Insulator to metal transition using micro strings resonators at room temperature and with laser power in few µWs is important for low power electronics, and optical switching applications.

Keywords: thermal conductivity, vanadium dioxide, MEMS, frequency tuning

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1588 Removal Efficiency of Some Heavy Metals from Aqueous Solution on Magnetic Nanoparticles

Authors: Gehan El-Sayed Sharaf El-Deen

Abstract:

In this study, super paramagnetic iron-oxide nano- materials (SPMIN) were investigated for removal of toxic heavy metals from aqueous solution. The magnetic nanoparticles of 12 nm were synthesized using a co-precipitation method and characterized by transmission electron microscopy (TEM), transform infrared spectroscopy (FTIR), x-ray diffraction (XRD) and vibrating sample magnetometer (VSM). Batch experiments carried out to investigate the influence of different parameters such as contact time, initial concentration of metal ions, the dosage of SPMIN, desorption,pH value of solutions. The adsorption process was found to be highly pH dependent, which made the nanoparticles selectively adsorb these three metals from wastewater. Maximum sorption for all the studies cations obtained at the first half hour and reached equilibrium at one hour. The adsorption data of heavy metals studied were well fitted with the Langmuir isotherm and the equilibrium data show the percent removal of Ni2+, Zn2+ and Cd2+ were 96.5%, 80% and 75%, respectively. Desorption studies in acidic medium indicate that Zn2+, Ni2+ and Cd2+ were removed by 89%, 2% and 18% from the first cycle. Regeneration studies indicated that SPMIN nanoparticles undergoing successive adsorption–desorption processes for Zn2+ ions retained original metal removal capacity. The results revealed that the most prominent advantage of the prepared SPMIN adsorbent consisted in their separation convenience compared to the other adsorbents and SPMIN has high efficiency for removal the investigated metals from aqueous solution.

Keywords: heavy metals, magnetic nanoparticles, removal efficiency, Batch technique

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1587 The Trial Using Bio-Product for Reducing Arsenic Heavy Metal in Soil in Grow Organic Vegetables

Authors: Nittaya Nokham, Nattaphon Kamon, Pipatpong Pimkhot, Pedcharada Yusuk

Abstract:

Testing efficacy of a bio-product (bp) to reduce amount of arsenic was carried out in soil which were used for cultivation of organic vegetables, at Watchan Royal Project Development Center, Kulayaniwattana district, Chiang Mai. The test consists of 6 treatments e.g. Tr.1) Control: To underlie the planting pits (pp)with compost; Tr.2) Using bp: To underlie thepp with compost mixed with (+) bp at 100 g/pit; Tr.3) Using bp: To underlie the pp with compost + bp at 100 g/pit and to spray the vegetables with bp at 2 l/20 l of water, once a week; Tr.4) Using bp: To spread the compost bp on the planting area at 3 kg/1 m2 ; Tr.5) Using bp: To spread the compost + bp on the planting area at 3 kg/1 m2and to spray vegetables with bp at 2 l/20 l of water; Tr.6) Using bp: To spray vegetables with bp at 2 l/20 l of water. Result showed that after first trial of pointed cabbage cultivation, only Tr.6 had a small reduction of arsenic; while the others had higher amount of the metal. After second trial of growing red oak leaf, Tr.6 had more reduction of arsenic while Tr.5 and Tr.3 had less reduction compared to Tr.6 but more reduction than the others. In the third trial of growing mustard, very small reduction could be found on Tr.6 and Tr.5 but more reduction in Tr.3. For the fourth (last) trial with cos romaine lettuce: Tr.6, Tr.5 showed most reduction of arsenic to about half of the original amount. So, it can be concluded that this bio-product can help reducing arsenic when using this product by spraying the bp to vegetables at concentration of 2 l/20 l of water once week (Tr.6), or using the bio-product mixed with compost to spread on the planting area at 3 kg/1 m2 together with spraying the product (Tr.5). The results obtained from continuous planting 4 kinds of vegetables at the same area. The amount of arsenic found in roots and stem is very small in the 4 vegetables.

Keywords: organic vegetables, bio-product, arsenic, soil

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1586 Degree of Bending in Axially Loaded Tubular KT-Joints of Offshore Structures: Parametric Study and Formulation

Authors: Hamid Ahmadi, Shadi Asoodeh

Abstract:

The fatigue life of tubular joints commonly found in offshore industry is not only dependent on the value of hot-spot stress (HSS), but is also significantly influenced by the through-the-thickness stress distribution characterized by the degree of bending (DoB). The determination of DoB values in a tubular joint is essential for improving the accuracy of fatigue life estimation using the stress-life (S–N) method and particularly for predicting the fatigue crack growth based on the fracture mechanics (FM) approach. In the present paper, data extracted from finite element (FE) analyses of tubular KT-joints, verified against experimental data and parametric equations, was used to investigate the effects of geometrical parameters on DoB values at the crown 0˚, saddle, and crown 180˚ positions along the weld toe of central brace in tubular KT-joints subjected to axial loading. Parametric study was followed by a set of nonlinear regression analyses to derive DoB parametric formulas for the fatigue analysis of KT-joints under axial loads. The tubular KT-joint is a quite common joint type found in steel offshore structures. However, despite the crucial role of the DoB in evaluating the fatigue performance of tubular joints, this paper is the first attempt to study and formulate the DoB values in KT-joints.

Keywords: tubular KT-joint, fatigue, degree of bending (DoB), axial loading, parametric formula

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1585 Green Synthesis of Silver Nanoparticles, Their Toxicity and Biomedical Applications

Authors: Kiran Shehzadi, Yasmeen Akhtar, Mujahid Ameen, Tabinda Ijaz, Shoukat Siddique

Abstract:

Nanoparticles, due to their different sizes and morphologies, are employed in various fields such as the medical field, cosmetics, pharmaceutical, textile industry as well as in paints, adhesives, and electronics. Metal nanoparticles exhibit excellent antimicrobial activity, dye degradation and can be used as anti-cancerous drug loading agents. In this study, sZilver nanoparticles (Ag-NPs) were synthesized employing doxycycline (antibiotic) as a reducing and capping agent (biological/green synthesis). Produced Ag-NPS were characterized using UV/VIS spectrophotometry, XRD, SEM, and FTIR. Surface plasmon resonance (SPR) of silver nanoparticles was observed at 411nm with 90nm size with homogenized spherical shape. These particles revealed good inhibition zones for Fungi such as Candida albicans and Candida tropicalis. In this study, toxic properties of Ag-NPs were monitored by allowing them to penetrate in the cell, causing an abrupt increase in oxidative stress, which resulted ultimately in cell death. Histopathological analysis of mice organs was performed by administering definite concentrations of silver nanoparticles orally to mice for 14 days. Toxic properties were determined, and it was revealed that the toxicity of silver nanoparticles mainly depends on the size. Silver nanoparticles of this work presented mild toxicity for different organs (liver, kidney, spleen, heart, and stomach) of mice.

Keywords: metal nanoparticles, green/biological methods, toxicity, Candida albicans, Candida tropicalis

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1584 Removal of Heavy Metals Pb, Zn and Cu from Sludge Waste of Paper Industries Using Biosurfactant

Authors: Nurul Hidayati

Abstract:

Increasing public awareness of environmental pollution influences the search and development of technologies that help in clean up of organic and inorganic contaminants such as metals. Sludge waste of paper industries as toxic and hazardous material from specific source contains Pb, Zn, and Cu metal from waste soluble ink. An alternative and eco-friendly method of remediation technology is the use of biosurfactants and biosurfactant-producing microorganisms. Soil washing is among the methods available to remove heavy metal from sediments. The purpose of this research is to study effectiveness of biosurfactant with concentration = CMC for the removal of heavy metals, lead, zinc and copper in batch washing test under four different biosurfactant production by microbial origin. Pseudomonas putida T1(8), Bacillus subtilis 3K, Acinetobacter sp, and Actinobacillus sp was grown on mineral salt medium that had been already added with 2% concentration of molasses that it is a low cost application. The samples were kept in a shaker 120 rpm at room temperature for 3 days. Supernatants and sediments of sludge were separated by using a centrifuge and samples from supernatants were measured by atomic absorption spectrophotometer. The highest removal of Pb was up to 14,04% by Acinetobacter sp. Biosurfactant of Pseudomonas putida T1(8) have the highest removal for Zn and Cu up to 6,5% and 2,01% respectively. Biosurfactants have a role for removal process of the metals, including wetting, contact of biosurfactant to the surface of the sediments and detachment of the metals from the sediment. Biosurfactant has proven its ability as a washing agent in heavy metals removal from sediments, but more research is needed to optimize the process of removal heavy metals.

Keywords: biosurfactant, removal of heavy metals, sludge waste, paper industries

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1583 Developing an Empirical Relationship to Predict Tensile Strength and Micro Hardness of Friction Stir Welded Aluminium Alloy Joints

Authors: Gurmeet Singh Cheema, Gurjinder Singh, Amardeep Singh Kang

Abstract:

Aluminium alloy 6061 is a medium to high strength heat-treatable alloy which has very good corrosion resistance and very good weldability. Friction Stir Welding was developed and this technique has attracted considerable interest from the aerospace and automotive industries since it is able to produce defect free joints particularly for light metals i.e aluminum alloy and magnesium alloy. In the friction stir welding process, welding parameters such as tool rotational speed, welding speed and tool shoulder diameter play a major role in deciding the weld quality. In this research work, an attempt has been made to understand the effect of tool rotational speed, welding speed and tool shoulder diameter on friction stir welded AA6061 aluminium alloy joints. Statistical tool such as central composite design is used to develop the mathematical relationships. The mathematical model was developed to predict mechanical properties of friction stir welded aluminium alloy joints at the 95% confidence level.

Keywords: aluminium alloy, friction stir welding, central composite design, mathematical relationship

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1582 Characterizing the Fracture Toughness Properties of Aluminum I-Rod Removed from National Research Universal Reactor

Authors: Michael Bach

Abstract:

Extensive weld repair was carried out in 2009 after a leak was detected in the aluminum 5052 vessel of the National Research Universal (NRU) reactor. This was the second vessel installed since 1974. In support of the NRU vessel leak repair and fitness for service assessments, an estimate of property changes due to irradiation exposure is required to extend the service of the reactor until 2018. In order to fully evaluate the property changes in the vessel wall, an Iodine-125 rod (I rod) made from the same material and irradiated in the NRU reactor from 1974 1991, was retrieved and sectioned for microstructure characterization and mechanical testing. The different sections of the I rod were exposed to various levels of thermal neutron fluences from 0 to a maximum of 11.9 x 1022 n/cm2. The end of life thermal neutron fluence of the NRU vessel is estimated to be 2.2 x 1022 n/cm2 at 35 years of service. Tensile test and fracture toughness test was performed on the I-rod material at various axial locations. The changes in tensile properties were attributed primarily to the creation of finely dispersed Mg-Si precipitates that harden the material and reduced the ductility. Despite having a reduction in fracture toughness, the NRU vessel is still operation at the current fluence levels.

Keywords: aluminum alloy, fitness-for-service assessment , fracutre toughness, nuclear reactor, precipitate strengthening, radiation damage, tensile strength

Procedia PDF Downloads 185
1581 Assessment of Water Quality of Selected Lakes of Coimbatore District, Tamil Nadu, India

Authors: K. P. Ganesh, T. Gomathi, L. Arul Pragasan

Abstract:

Degradation of lake water quality is one of the serious environmental threats for the last few decades, particularly, the lakes situated in and around urban and industrial areas. The present study aimed to analyze the physicochemical and biological parameters, and metal elements to determine the water quality of Krishnampathi, Ukkadam, Kurichi, Sulur and Singanallur Lakes. Of the 23 physicochemical parameters analyzed in the five lakes, except TDS, Chloride and Total hardness values all the 20 parameters were found within the prescribed limit as recommended by World Health Organization (WHO) and Bureau of Indian Standards (BIS). In case of biological parameter, both Total Coliform and Fecal Coliform bacteria (Escherichia coli) were identified. This indicates the contamination of lakes by fecal matter, and warns of potential of disease causing by viruses, bacteria and other organisms. Among the twelve metal elements (Al, Cr, Mn, Fe, Ni, Cu, Zn, As, Se, Mo, Cd and Pb) determined by inductively coupled plasma-mass spectroscopy, except Cd (for all lakes), and Pb (for Ukkadam, Kurichi, Sulur & Singanallur), all the elements were found above the prescribed limits of BIS. The results of the present study revealed that all the five major lakes of Coimbatore were contaminated. It is recommended that proper implementation of the new wetland waste management system and monitoring of water quality be of the urgent need to sustain the water bodies for future generations.

Keywords: heavy metals, inductively coupled plasma-mass spectroscopy, physicochemical and biological parameters, water quality

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1580 Reducing the Chemical Activity of Ceramic Casting Molds for Producing Decorated Glass Moulds

Authors: Nilgun Kuskonmaz

Abstract:

Ceramic molding can produce castings with fine detail, smooth surface and high degree of dimensional accuracy. All these features are the key factors for producing decorated glass moulds. In the ceramic mold casting process, the fundamental parameters affecting the mold-metal reactions are the composition and the properties of the refractory materials used in the production of ceramic mold. As a result of the reactions taking place between the liquid metal and mold surface, it is not possible to achieve a perfect surface quality, a fine surface detail and maintain a high standard dimensional tolerances. The present research examines the effects of the binder composition on the structural and physical properties of the zircon ceramic mold. In the experiment, the ceramic slurry was prepared by mixing the refractory powders (zircon(ZrSiO4), mullit(3Al2O32SiO2) and alumina (Al2O3)) with the low alkaline silica (ethyl silicate (C8H20O4Si)) and acidic type gelling material suitable binder and gelling agent. This was followed by pouring that ceramic slurry on to a silicon pattern. After being gelled, the mold was removed from the silicon pattern and dried. Then, the ceramic mold was subjected to the reaction sintering at 1600°C for 2 hours in the furnace. The stainless steel (SS) was cast into the sintered ceramic mold. At the end of this process it was observed that the surface quality of decorated glass mold.

Keywords: ceramic mold, stainless steel casting, decorated glass mold

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1579 Optimization of Air Pollution Control Model for Mining

Authors: Zunaira Asif, Zhi Chen

Abstract:

The sustainable measures on air quality management are recognized as one of the most serious environmental concerns in the mining region. The mining operations emit various types of pollutants which have significant impacts on the environment. This study presents a stochastic control strategy by developing the air pollution control model to achieve a cost-effective solution. The optimization method is formulated to predict the cost of treatment using linear programming with an objective function and multi-constraints. The constraints mainly focus on two factors which are: production of metal should not exceed the available resources, and air quality should meet the standard criteria of the pollutant. The applicability of this model is explored through a case study of an open pit metal mine, Utah, USA. This method simultaneously uses meteorological data as a dispersion transfer function to support the practical local conditions. The probabilistic analysis and the uncertainties in the meteorological conditions are accomplished by Monte Carlo simulation. Reasonable results have been obtained to select the optimized treatment technology for PM2.5, PM10, NOx, and SO2. Additional comparison analysis shows that baghouse is the least cost option as compared to electrostatic precipitator and wet scrubbers for particulate matter, whereas non-selective catalytical reduction and dry-flue gas desulfurization are suitable for NOx and SO2 reduction respectively. Thus, this model can aid planners to reduce these pollutants at a marginal cost by suggesting control pollution devices, while accounting for dynamic meteorological conditions and mining activities.

Keywords: air pollution, linear programming, mining, optimization, treatment technologies

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1578 Preparation and Characterization of Mixed Cu-Ag-Pd Oxide Supported Catalysts for Complete Catalytic Oxidation of Methane

Authors: Ts. Lazarova, V. Tumbalev, S. Atanacova-Vladimirova, G. Ivanov, A. Naydenov, D. Kovacheva

Abstract:

Methane is a major Greenhouse Gas (GHG) that accounts for 14% of the world’s total amount of GHG emissions, originating mainly from agriculture, Coal mines, land fields, wastewater and oil and gas facilities. Nowadays the problem caused by the methane emissions has been a subject of an increased concern. One of the methods for neutralization of the methane emissions is it's complete catalytic oxidation. The efforts of the researchers are focused on the development of new types of catalysts and optimizing the existing catalytic systems in order to prevent the sintering of the palladium, providing at the same time a sufficient activity at temperatures below 500oC. The aim of the present work is to prepare mixed Cu-Ag-Pd oxide catalysts supported on alumina and to test them for methane complete catalytic oxidation. Cu-Ag-Pd/Al2O3 were prepared on a γ-Al2O3 (BET surface area = 220 m2/g) by the incipient wetness method using the corresponding metal nitrates (Cu:Ag = 90:10, Cu:Pd =97:3, Cu:Ag:Pd= 87:10:3) as precursors. A second set of samples were prepared with addition of urea to the metal nitrate solutions with the above mentioned ratios assuming increased dispersivity of the catalysts. The catalyst samples were dried at 100°C for 3 hours and calcined at 550°C for 30 minutes. Catalysts samples were characterized using X-ray diffraction (XRD), low temperature adsorption of nitrogen (BET) and scanning electron microscopy (SEM). The catalytic activity tests were carried out in a continuous flow type of reactor at atmospheric pressure. The effect of catalyst aging at 500 oC for 120 h on the methane combustion activity was also investigated. The results clearly indicate the synergetic effect of Ag and Pd on the catalytic activity.

Keywords: catalysts, XRD, BET, SEM, catalytic oxidation

Procedia PDF Downloads 382
1577 Changes in Some Morphological Characters of Dill Under Cadmium Stress

Authors: A. M. Daneshian Moghaddam, A. H. Hosseinzadeh, A. Bandehagh

Abstract:

To investigate the effect of cadmium heavy metal stress on five ecotype of dill, this experiment was conducted in the greenhouse of Tabriz University and Shabestar Islamic Azad University’s laboratories with tree replications. After growing the plants, cadmium treatments (concentration 0,300, 600 µmol) were applied. The essential oil of the samples was measured by hydro distillation and using a Clevenger apparatus. Variables used in this study include: wet and dry roots and aerial part of plant, plant height, stem diameter, and root length. The results showed that different concentrations of heavy metal has statistical difference (p < 0.01) on the fresh weight, dry weight, plant height and root length but hadn’t significant difference on essential oil percentage and root length. Dill ecotypes have statistical significant difference on essential oil percent, fresh plant weight, plant height, root length, except plant dry weight. The interactions between Cd concentration and dill ecotypes have not significant effect on all traits, except root length. Maximum fresh weight (4.98 gr) and minimum amount (3.13 gr) were obtained in control trait and 600 ppm of cd concentration, respectively. Highest amount of fresh weight (4.78 gr) was obtained in Birjand ecotype. Maximum plant dry weight (1.2 gr) was obtained at control. The highest plant height (32.54 cm) was obtained in control and with applies cadmium concentrations from zero to 300 and 600 ppm was found significantly reduced in plant height.

Keywords: pollution, essential oil, ecotype, dill, heavy metals, cadmium

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1576 A Novel Environmentally Benign Positive Electrode Material with Improved Energy Density for Lithium Ion Batteries

Authors: Wassima El Mofid, Svetlozar Ivanov, Andreas Bund

Abstract:

The increasing requirements for high power and energy lithium ion batteries have led to the development of several classes of positive electrode materials. Among those one promising material is LiNixMnyCo1−x−yO2 due to its high reversible capacity and remarkable cycling performance. Further structural stabilization and improved electrochemical performance of this class of cathode materials can be achieved by cationic substitution to a transition metal such as Al, Mg, Cr, etc. The current study discusses a novel NMC type material obtained by simultaneous cationic substitution of the cobalt which is a toxic element, with aluminum and iron. A compound with the composition LiNi0.6Mn0.2Co0.15Al0.025Fe0.025O2 (NMCAF) was synthesized by the self-combustion method using sucrose as fuel. The material has a layered α-NaFeO2 type structure with a good hexagonal ordering. Rietveld refinement analysis of the XRD patterns revealed a very low cationic mixing compared to the non-substituted material LiNi0.6Mn0,2Co0.2O2 suggesting a structural stabilization. Galvanostatic cycling measurements indicate improved electrochemical performance after the metal substitution. An initial discharge capacity of about 190 mAh.g−1 at slow rate (C/20), and a good cycling stability even at moderately faster rates (C/5 and C) have been observed. The long term cycling displayed a capacity retention of about 90% after 10 cycles.

Keywords: cationic substitution, lithium ion batteries, positive electrode material, self-combustion synthesis method

Procedia PDF Downloads 417
1575 Understanding the Effect of Material and Deformation Conditions on the “Wear Mode Diagram”: A Numerical Study

Authors: A. Mostaani, M. P. Pereira, B. F. Rolfe

Abstract:

The increasing application of Advanced High Strength Steel (AHSS) in the automotive industry to fulfill crash requirements has introduced higher levels of wear in stamping dies and parts. Therefore, understanding wear behaviour in sheet metal forming is of great importance as it can help to reduce the high costs currently associated with tool wear. At the contact between the die and the sheet, the tips of hard tool asperities interact with the softer sheet material. Understanding the deformation that occurs during this interaction is important for our overall understanding of the wear mechanisms. For these reasons, the scratching of a perfectly plastic material by a rigid indenter has been widely examined in the literature; with finite element modelling (FEM) used in recent years to further understand the behaviour. The ‘wear mode diagram’ has been commonly used to classify the deformation regime of the soft work-piece during scratching, into three modes: ploughing, wedge formation, and cutting. This diagram, which is based on 2D slip line theory and upper bound method for perfectly plastic work-piece and rigid indenter, relates different wear modes to attack angle and interfacial strength. This diagram has been the basis for many wear studies and wear models to date. Additionally, it has been concluded that galling is most likely to occur during the wedge formation mode. However, there has been little analysis in the literature of how the material behaviour and deformation conditions associated with metal forming processes influence the wear behaviour. Therefore, the first aim of this work is first to use a commercial FEM package (Abaqus/Explicit) to build a 3D model to capture wear modes during scratching with indenters with different attack angles and different interfacial strengths. The second goal is to utilise the developed model to understand how wear modes might change in the presence of bulk deformation of the work-piece material as a result of the metal forming operation. Finally, the effect of the work-piece material properties, including strain hardening, will be examined to understand how these influence the wear modes and wear behaviour. The results show that both strain hardening and substrate deformation can change the critical attack angle at which the wedge formation regime is activated.

Keywords: finite element, pile-up, scratch test, wear mode

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1574 Assessment of Potentially Harmful Elements in Floodplain Soils and Stream Sediments in Ile-Ife Area, South-Western Nigeria: Using Geographic Information System and Multi-Variances Approaches

Authors: I. T. Asowata, A. S. Akinwumiju

Abstract:

The enrichment of potentially harmful elements (PHEs) in stream sediments (SS) and floodplain soils (FS) poses great environmental hazards to water bodies and other parts of the ecosystem. The aim of this research was to assess the distribution pattern of selected PHEs (Cu, Pb, Zn, Co, Mn, As, Cd, V, Cr, Ni, Th, Sr, and La) in SS of selected rivers that drain Ile-Ife area and their adjacent FS, to ascertain the pollution status of these elements in the study area. 60 samples (40 SS and 20 FS) were purposely collected for this study; the samples were air-dried at room temperature, disaggregated, sieved with > 63 µm and digested with modified aqua reqia (1:1:1 HCl:HNO₃:H₂O) and were analysed with ultra-trace inductively coupled plasma mass spectrometry method (ICP-ES). The geochemical results showed decreasing trend of average contents of PHEs studied Mn > Zn > V > Cr > Pb > La > Sr > Cu > Ni > Co > Th > As > Cd for both SS and FS. Floodplain topsoil in ppm, Cu range from 10.0-180.0; mean, 71.1, Pb, 17.1-255.0; 93.5 and Zn, 83.0-3122.2; 826.0. Also, floodplain sub-soils, Cu range from 30.0-203.1; mean of 76.6, Pb, 16.0-214.0; 77.9 and Zn, 59.1-2351.0; 622.3. Similarly, SS results for Cu, 22.1-257.0; 70.3, Pb, 15.0-172.0; 67.3 and Zn, 65.0-1285.0; 357.8, among other PHEs, suggesting significant level of PHEs enrichment in the studied geo media. Elemental association showed positive and/or negative correlation among the PHEs and also showed different sources of metal enrichment to be largely anthropogenic with some geogenic. Geoaccumulation and metal ratio indexes indicated that FS and SS studied have received significant PHEs of between moderately to strongly polluted, which implies significant environmental implications in the study area.

Keywords: aqua regia, enrichment, GIS, Ile-Ife, potentially harmful elements

Procedia PDF Downloads 162
1573 Synthesis, Characterization and Antibacterial Activity of Metalloporphyrins: Role of Central Metal Ion

Authors: Belete B. Beyene, Ayenew M. Mihirteu, Misganaw T. Ayana, Amogne W. Yibeltal

Abstract:

Modification of synthetic porphyrins is one of the promising strategies in an attempt to get molecules with desired properties and applications. Here in, we report synthesis, photophysical characterization and antibacterial activity of 5, 10, 15, 20-tetrakis-(4- methoxy carbonyl phenyl) porphyrin M(II); where M = Co, Fe, Ni, Zn. Metallation of the ligand was confirmed by using UV–Vis spectroscopy and ESI-Ms measurement, in which the number of Q bands in absorption spectra of the ligand decreased from four to one or two as a result of metal insertion to the porphyrin core. The antibacterial activity study of the complexes toward two Gram-positive (Staphylococcus aureus (S. aureus) and Streptococcus pyogenes (s. pyogenes)) and two Gram-negative (Escherichia coli (E. coli) and Klebsiella pneumoniae (K. pneumoniae)) bacteria by disc diffusion method showed a promising inhibitory activity. The complexes exhibited highest activities at highest concentration and were better than the activity of free base ligand, the salts, and blank solution. This could be explained on the basis of Overton's concept of cell permeability and Tweed's Chelation theory. An increased lipo-solubility enhances the penetration of the complexes into the lipid membrane and interferes with the normal activities of the bacteria. Our study, therefore, showed that the growth inhibitory effect of these metalloporphyrins is generally in order of ZnTPPCOOMe > NiTPPCOOMe > CoTPPCOOMe> FeTPPCOOMe, which may be attributed to the better lipophilicity and binding of the complex with the cellular components.

Keywords: porphyrins, metalloporphyrins, spectral property, antibacterial activity, synthesis

Procedia PDF Downloads 76
1572 Optimization of the Enzymatic Synthesis of the Silver Core-Shell Nanoparticles

Authors: Lela Pintarić, Iva Rezić, Ana Vrsalović Presečki

Abstract:

Considering an enormous increase of the use of metal nanoparticles with the exactly defined characteristics, the main goal of this research was to found the optimal and environmental friendly method of their synthesis. The synthesis of the inorganic core-shell nanoparticles was optimized as a model. The core-shell nanoparticles are composed of the enzyme core belted with the metal ions, oxides or salts as a shell. In this research, enzyme urease was the core catalyst and the shell nanoparticle was made of silver. Silver nanoparticles are widespread utilized and some of their common uses are: as an addition to disinfectants to ensure an aseptic environment for the patients, as a surface coating for neurosurgical shunts and venous catheters, as an addition to implants, in production of socks for diabetics and athletic clothing where they improve antibacterial characteristics, etc. Characteristics of synthesized nanoparticles directly depend on of their size, so the special care during this optimization was given to the determination of the size of the synthesized nanoparticles. For the purpose of the above mentioned optimization, sixteen experiments were generated by the Design of Experiments (DoE) method and conducted under various temperatures, with different initial concentration of the silver nitrate and constant concentration of the urease of two separate manufacturers. Synthesized nanoparticles were analyzed by the Nanoparticle Tracking Analysis (NTA) method on Malvern NanoSight NS300. Results showed that the initial concentration of the silver ions does not affect the concentration of the synthesized silver nanoparticles neither their size distribution. On the other hand, temperature of the experiments has affected both of the mentioned values.

Keywords: core-shell nanoparticles, optimization, silver, urease

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1571 Ab-initio Calculations on the Mechanism of Action of Platinum and Ruthenium Complexes in Phototherapy

Authors: Eslam Dabbish, Fortuna Ponte, Stefano Scoditti, Emilia Sicilia, Gloria Mazzone

Abstract:

The medical techniques based on the use of light for activating the drug are occupying a prominent place in the cancer treatment due to their selectivity that contributes to reduce undesirable side effects of conventional chemotherapy. Among these therapeutic treatments, photodynamic therapy (PDT) and photoactivated chemotherapy (PACT) are emerging as complementary approaches for selective destruction of neoplastic tissue through direct cellular damage. Both techniques rely on the employment of a molecule, photosensitizer (PS), able to absorb within the so-called therapeutic window. Thus, the exposure to light of otherwise inert molecules promotes the population of excited states of the drug, that in PDT are able to produce the cytotoxic species, such as 1O2 and other ROS, in PACT can be responsible of the active species release or formation. Following the success of cisplatin in conventional treatments, many other transition metal complexes were explored as anticancer agents for applications in different medical approaches, including PDT and PACT, in order to improve their chemical, biological and photophysical properties. In this field, several crucial characteristics of candidate PSs can be accurately predicted from first principle calculations, especially in the framework of density functional theory and its time-dependent formulation, contributing to the understanding of the entire photochemical pathways involved which can ultimately help in improving the efficiency of a drug. A brief overview of the outcomes on some platinum and ruthenium-based PSs proposed for the application in the two phototherapies will be provided.

Keywords: TDDFT, metal complexes, PACT, PDT

Procedia PDF Downloads 105