Search results for: Co(II) ions
246 Hydro-Chemical Characterization of Glacial Melt Waters Draining from Shaune Garang Glacier, Himachal Himalaya
Authors: Ramesh Kumar, Rajesh Kumar, Shaktiman Singh, Atar Singh, Anshuman Bhardwaj, Ravindra Kumar Sinha, Anupma Kumari
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A detailed study of the ion chemistry of the Shaune Garnag glacier meltwater has been carried out to assess the role of active glacier in the chemical denudation rate. The chemical compositions of various ions in meltwater of the Shaune Garang glacier were analyzed during the melting period 2015 and 2016. Total 112 of melt water samples twice in a day were collected during ablation season of 2015 and 2016. To identify various factors controlling the dissolved ionic strength of Shaune Garang Glacier meltwater statistical analysis such as correlation matrix, Principle Component Analysis (PCA) and factor analysis were applied to deduce the result. Cation concentration for Ca²⁺ > Mg²⁺ > Na⁺ > K⁺ in the meltwater for both the years can be arranged in the order as Ca²⁺ > Mg²⁺ > Na⁺ > K⁺. Study showed that Ca²⁺ and HCO₃⁻ found to be dominant on the both melting period. Carbonate weathering identified as the dominant process controlling the dissolved ion chemistry of meltwater due to the high ratios of (Ca²⁺ + Mg²⁺) versus TZ+ and (Ca²⁺ + Mg²⁺) versus (Na⁺ + K⁺) in the study area. The cation denudation rate of the Shaune Garnag catchment is 3412.2 m⁻² a⁻¹, i.e. higher than the other glacierised catchment in the Himalaya, indicating intense chemical erosion in this catchment.Keywords: Shaune Garang glacier, Hydrochemistry, chemical composition, cation denudation rate, carbonate weathering
Procedia PDF Downloads 373245 Structural, Electrochemical and Electrocatalysis Studies of a New 2D Metal-Organic Coordination Polymer of Ni (II) Constructed by Naphthalene-1,4-Dicarboxylic Acid; Oxidation and Determination of Fructose
Authors: Zohreh Derikvand
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One new 2D metal-organic coordination polymer of Ni(II) namely [Ni2(ndc)2(DMSO)4(H2O)]n, where ndc = naphthalene-1,4-dicarboxylic acid and DMSO= dimethyl sulfoxide has been synthesized and characterized by elemental analysis, spectral (IR, UV-Vis), thermal (TG/DTG) analysis and single crystal X-ray diffraction. Compound 1 possesses a 2D layer structure constructed from dinuclear nickel(II) building blocks in which two crystallographically independent Ni2+ ions are bridged by ndc2– ligands and water molecule. The ndc2– ligands adopt μ3 bridging modes, linking the metal centers into a two-dimensional coordination framework. The two independent NiII cations are surrounded by dimethyl sulfoxide and naphthalene-1,4-dicarboxylate molecules in distorted octahedron geometry. In the crystal structures of 1 there are non-classical hydrogen bonding arrangements and C-H–π stacking interactions. Electrochemical behavior of [Ni2(ndc)2(DMSO)4(H2O)]n, (Ni-NDA) on the surface of carbon nanotube (CNTs) glassy carbon electrode (GCE) was described. The surface structure and composition of the sensor were characterized by scanning electron microscopy (SEM). Oxidation of fructose on the surface of modified electrode was investigated with cyclic voltammetry and electrochemical impedance spectroscopy (EIS) and the results showed that the Ni-NDA/CNTs film displays excellent electrochemical catalytic activities towards fructose oxidation.Keywords: naphthalene-1, 4-dicarboxylic acid, crystal structure, coordination polymer, electrocatalysis, impedance spectroscopy
Procedia PDF Downloads 331244 Synthesis and Modification of Azardirachta indica (Neem Leaf) with Nimibidin: Bioadsorptive Remediation
Authors: Nene Pearl Eluchie
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Globally, metal ion, particularly those generated from oil and gas effluents, form environmental pollution, particularly in developing regions like Nigeria, where water borne disease is fatal. This is clear evidence for metal ion contamination within the environment. Ecofriendly and cost effective biomaterials are the best ways of reducing metal ion contamination, thus reducing the need for chemical treatment of oil and gas effluent. Despite this, research efforts to understand the mechanism of adsorption and possible bio-adsorptive remediation interventions are limited. The study combined biomaterial and adsorption techniques: A. Indica, UV-Visible spectroscopy, SEM, FTIR in a progressive manner to provide insight. The biosorption efficiency of Azadirachta Indica silver nanoparticle AI-AgNPs was within the range of 63-95%. The study demonstrates that AI-AgNPs can be a promising agent, cheap, efficient, and biodegradable bio-sorbent for lowering oil and gas effluents. This is one of the studies to show that Azadirachta Indica is just one of the many biomaterials to synthesize silver nanoparticles through the reduction of active constituents (Nimbidin) present in them to ensure stability and surface properties, which are critical for their performance in effluent treatment. Therefore, leveraging the knowledge from this study to raise awareness through public health initiatives and community engagement will help. The prevalence of metal ions observed in the visible region in the study indicates the need for bio-adsorptive remediation interventions, not only in social settings but also in the immediate environment. There is, thus, an urgent need for targeted interventions in vulnerable communities.Keywords: Azadirachta indica, bioadsorption, biosynthesis, effluent, nimbidin, silver nanoparticle
Procedia PDF Downloads 27243 SEAWIZARD-Multiplex AI-Enabled Graphene Based Lab-On-Chip Sensing Platform for Heavy Metal Ions Monitoring on Marine Water
Authors: M. Moreno, M. Alique, D. Otero, C. Delgado, P. Lacharmoise, L. Gracia, L. Pires, A. Moya
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Marine environments are increasingly threatened by heavy metal contamination, including mercury (Hg), lead (Pb), and cadmium (Cd), posing significant risks to ecosystems and human health. Traditional monitoring techniques often fail to provide the spatial and temporal resolution needed for real-time detection of these contaminants, especially in remote or harsh environments. SEAWIZARD addresses these challenges by leveraging the flexibility, adaptability, and cost-effectiveness of printed electronics, with the integration of microfluidics to develop a compact, portable, and reusable sensor platform designed specifically for real-time monitoring of heavy metal ions in seawater. The SEAWIZARD sensor is a multiparametric Lab-on-Chip (LoC) device, a miniaturized system that integrates several laboratory functions into a single chip, drastically reducing sample volumes and improving adaptability. This platform integrates three printed graphene electrodes for the simultaneous detection of Hg, Cd and Pb via square wave voltammetry. These electrodes share the reference and the counter electrodes to improve space efficiency. Additionally, it integrates printed pH and temperature sensors to correct environmental interferences that may impact the accuracy of metal detection. The pH sensor is based on a carbon electrode with iridium oxide electrodeposited while the temperature sensor is graphene based. A protective dielectric layer is printed on top of the sensor to safeguard it in harsh marine conditions. The use of flexible polyethylene terephthalate (PET) as the substrate enables the sensor to conform to various surfaces and operate in challenging environments. One of the key innovations of SEAWIZARD is its integrated microfluidic layer, fabricated from cyclic olefin copolymer (COC). This microfluidic component allows a controlled flow of seawater over the sensing area, allowing for significant improved detection limits compared to direct water sampling. The system’s dual-channel design separates the detection of heavy metals from the measurement of pH and temperature, ensuring that each parameter is measured under optimal conditions. In addition, the temperature sensor is finely tuned with a serpentine-shaped microfluidic channel to ensure precise thermal measurements. SEAWIZARD also incorporates custom electronics that allow for wireless data transmission via Bluetooth, facilitating rapid data collection and user interface integration. Embedded artificial intelligence further enhances the platform by providing an automated alarm system, capable of detecting predefined metal concentration thresholds and issuing warnings when limits are exceeded. This predictive feature enables early warnings of potential environmental disasters, such as industrial spills or toxic levels of heavy metal pollutants, making SEAWIZARD not just a detection tool, but a comprehensive monitoring and early intervention system. In conclusion, SEAWIZARD represents a significant advancement in printed electronics applied to environmental sensing. By combining flexible, low-cost materials with advanced microfluidics, custom electronics, and AI-driven intelligence, SEAWIZARD offers a highly adaptable and scalable solution for real-time, high-resolution monitoring of heavy metals in marine environments. Its compact and portable design makes it an accessible, user-friendly tool with the potential to transform water quality monitoring practices and provide critical data to protect marine ecosystems from contamination-related risks.Keywords: lab-on-chip, printed electronics, real-time monitoring, microfluidics, heavy metal contamination
Procedia PDF Downloads 27242 Reentrant Spin-Glass State Formation in Polycrystalline Er₂NiSi₃
Authors: Santanu Pakhira, Chandan Mazumdar, R. Ranganathan, Maxim Avdeev
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Magnetically frustrated systems are of great interest and one of the most adorable topics for the researcher of condensed matter physics, due to their various interesting properties, viz. ground state degeneracy, finite entropy at zero temperature, lowering of ordering temperature, etc. Ternary intermetallics with the composition RE₂TX₃ (RE = rare-earth element, T= d electron transition metal and X= p electron element) crystallize in hexagonal AlB₂ type crystal structure (space group P6/mmm). In a hexagonal crystal structure with the antiferromagnetic interaction between the moments, the center moment is geometrically frustrated. Magnetic frustration along with disorder arrangements of non-magnetic ions are the building blocks for metastable spin-glass ground state formation for most of the compounds of this stoichiometry. The newly synthesized compound Er₂NiSi₃ compound forms in single phase in AlB₂ type structure with space group P6/mmm. The compound orders antiferromagnetically below 5.4 K and spin freezing of the frustrated magnetic moments occurs below 3 K for the compound. The compound shows magnetic relaxation behavior and magnetic memory effect below its freezing temperature. Neutron diffraction patterns for temperatures below the spin freezing temperature have been analyzed using FULLPROF software package. Diffuse magnetic scattering at low temperatures yields spin glass state formation for the compound.Keywords: antiferromagnetism, magnetic frustration, spin-glass, neutron diffraction
Procedia PDF Downloads 262241 Mechanism of Melanin Inhibition of Morello Flavone- 7″- Sulphate and Sargaol extracts from Garcinia livingstonei (Clusiaceae): Homology Modelling, Molecular Docking, and Molecular Dynamics Simulations
Authors: Ncoza Dlova, Tivani Mashamba-Thompson
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Garcinia livingstonei (Clusiaceae) extracts, morelloflavone- 7″- sulphate and sargaol were shown to be effective against hyper-pigmentation through inhibition of tyrosinase enzyme, in vitro . The aim of this study is to elucidate the structural mechanism through which morelloflavone- 7″- sulphate and sargaol binds human tyrosinase. Implementing a homology model to construct a tyrosinase model using the crystal structure of a functional unit from Octopus hemocyanin (PDB: 1JS8) as a reference template enabled us to create a human tyrosinase model. Molecular dynamics and binding free energy calculations were optimized to enable molecular dynamics simulation of the copper dependent inhibitors. Results show the importance of the hydrogen bond formation morelloflavone- 7″- sulphate and sargaol between compound and active site residues. Both complexes demonstrated the metallic coordination between compound and arginine residue as well as copper ions within the active site. The comprehensive molecular insight gained from this study should be vital in understanding the binding mechanism morelloflavone- 7″- sulphate and sargaol. Moreover, these results will assist in the design of novel of metal ion dependent enzyme inhibitors as potential anti-hyper-pigmentation disorder therapies.Keywords: hyper-pigmentation disorders, dyschromia African skin, morelloflavone- 7″- sulphate, sagoal
Procedia PDF Downloads 404240 The Moveable Cathode Water Cold Atmospheric Pressure Plasma Jet for Titanium Surface Treatment of Dental Implant
Authors: Nazanin Gerami, Shirin Adlparvar
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In the present time in the laboratory, one can create an ionized gas, that is to say, plasma from room temperature up to ten times more than the temperature of the sun center (150,000,000). All these temperature spectrums of plasma have applications in different disciplines, including dentistry, medicine, science, surface treatment, nuclear waste disinfection, nuclear fusion technology, etc. However, for the sick of simplicity, all these plasma temperature spectrums are classified as cold or low-pressure non-thermal plasma and warm or high-pressure equilibrium plasma. The cold plasma, as we are interested in this paper, exists at lower ion and neutral temperatures with respect to electron temperature, but in the equilibrium plasma, the temperatures of ion and electron are fairly equal. The cold plasma is a partially ionized gas comprising ions, electrons, ultraviolet photons and reactive neutrals such as radicals, excited and ground-state molecules. Cold atmospheric pressure plasmas are widely used in diverse fields of dental medicine, such as the titanium surface of dental implants, which helps in reducing contact angle and supporting the spread of osteoblastic cells and is known to aid in osteoblastic proliferation and osseointegration, thus increasing the success rates of implants. This article focuses on the anticipated uses of a newly designed water-cooled adjustable cathode cold atmospheric pressure plasma Jet (CAPPJ) for titanium surface treatment in dental implant placement.Keywords: CAPPJ, surface modification, osseointegration, plasma medicine, dentistry
Procedia PDF Downloads 149239 Chemistry and Sources of Solid Biofuel Derived Ambient Aerosols during Cooking and Non-Cooking Hours in Rural Area of Khairatpur, North-Central India
Authors: Sudha Shukla, Bablu Kumar, Gyan Prakash Gupta, U. C. Kulshrestha
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Air pollutants emitted from solid biofuels during cooking are the major contributors to poor air quality, respiratory problems, and radiative forcing, etc. in rural areas of most of developing countries. The present study reports the chemical characteristics and sources of ambient aerosols and traces gases during cooking and non-cooking hours emitted during biofuel combustion in a village in North-Central India. Fine aerosol samples along with gaseous species (Sox, NOx, and NH₃) were collected during September 2010-March 2011 at Khairatpur village (KPV) which is located in the Uttar Pradesh state in North-Central India. Results indicated that most of the major ions in aerosols and Sox, NOx, and NH₃ gases were found to be higher during cooking hours as compared to non-cooking hours suggesting that solid biofuel combustion is an important source of air pollution. Results of Principal Component Analysis (PCA) revealed that combustion of solid biofuel, vehicular emissions, and brick kilns were the major sources of fine aerosols and trace gases in the village. A health survey was conducted to find out the relation between users of biofuels and their health effects and the results revealed that most of the women in the village were suffering from diseases associated with biofuel combustion during cooking.Keywords: ambient aerosols, biofuel combustion, cooking, health survey, rural area
Procedia PDF Downloads 238238 Crystallization in the TeO2 - Ta2O5 - Bi2O3 System: From Glass to Anti-Glass to Transparent Ceramic
Authors: Hasnaa Benchorfi
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The Tellurite glasses exhibit interesting properties, notably their low melting point (700-900°C), high refractive index (≈2), high transparency in the infrared region (up to 5−6 μm), interesting linear and non-linear optical properties and high rare earth ions solubility. These properties give tellurite glasses a great interest in various optical applications. Transparent ceramics present advantages compared to glasses, such as improved mechanical, thermal and optical properties. But, the elaboration process of these ceramics requires complex sintering conditions. The full crystallization of glass into transparent ceramics is an alternative to circumvent the technical challenges related to the ceramics obtained by conventional processing. In this work, a crystallization study of a specific glass composition in the system TeO2-Ta2O5-Bi2O3 shows structural transitions from the glass to the stabilization of an unreported anti-glass phase to a transparent ceramic upon heating. An anti-glass is a material with a cationic long-range order and a disordered anion sublattice. Thus, the X-ray diffraction patterns show sharp peaks, while the Raman bands are broad and similar to those of the parent glass. The structure and microstructure of the anti-glass and corresponding ceramic were characterized by Powder X-Ray Diffraction, Electron Back Scattered Diffraction, Transmission Electron Microscopy and Raman spectroscopy. The optical properties of the Er3+-doped samples are also discussed.Keywords: glass, congruent crystallization, anti-glass, glass-ceramic, optics
Procedia PDF Downloads 78237 Apatite-Forming Ability of Doped-Ceria Coatings for Orthopedic Implants
Authors: Ayda Khosravanihaghighi, Pramod Koshy, Bill Walsh, Vedran Lovric, Charles Christopher Sorrell
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There is an increasing demand for orthopedic implants owing to the increasing numbers of the aging population. Titanium alloy (Ti6Al4V) is a common material used for orthopedic implants owing to its advantageous properties in terms of good corrosion resistance, minimal elastic modulus mismatch with bone, bio-inertness, and high mechanical strength. However, it is important to improve the bioactivity and osseointegration of the titanium alloy and this can be achieved by coating the implant surface with suitable ceramic materials. In the present work, pure and doped-ceria (CeO₂) coatings were deposited by spin coating on the titanium alloy surface in order to enhance the biological interactions between the surface of the implant and the surrounding tissue. In order to examine the bone-binding ability of an implant, simulated body fluid (SBF) tests were conducted in order to assess the capability of apatite layer formation on the surface and thus predict in vivo bone bioactivity. Characterization was done using scanning electron microscopy (SEM) and X-ray diffraction (XRD) analyses to determine the extent of apatite formation. Preliminary tests showed that the CeO₂ coatings were biocompatible and that the extent of apatite formation and its characteristics can be enhanced by doping with suitable metal ions.Keywords: apatite layer, biocompatibility, ceria, orthopaedic implant, SBF, spin coater, Ti-implant
Procedia PDF Downloads 160236 Influence of Layer-by-Layer Coating Parameters on the Properties of Hybrid Membrane for Water Treatment
Authors: Jenny Radeva, Anke-Gundula Roth, Christian Goebbert, Robert Niestroj-Pahl, Lars Daehne, Axel Wolfram, Juergen WIese
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The presented investigation studies the correlation between the process parameters of Layer-by-Layer (LbL) coatings and properties of the produced hybrid membranes for water treatment. The coating of alumina ceramic support membrane with polyelectrolyte multilayers on top results in hybrid membranes with increased fouling resistant behavior, high retention (up to 90%) of salt ions and various pharmaceuticals, selectivity to various organic molecules as known from LbL coated polyether sulfone membranes and the possibility of pH response control. Chosen polyelectrolytes were added to the support using the LbL-coating process. Parameters like the type of polyelectrolyte, ionic strength, and pH were varied in order to find the most suitable process conditions and to study how they influence the properties of the final product. The applied LbL-films was investigated in respect to its homogeneity and penetration depth. The analysis of the layer buildup was performed using fluorescence labeled polyelectrolyte molecules and Confocal Laser Scanning Microscopy as well as Scanning and Transmission Electron Microscopy. Furthermore, the influence of the coating parameters on the porosity, surface potential, retention, and permeability of the developed hybrid membranes were estimated. In conclusion, a comparison was drawn between the filtration performance of the uncoated alumina ceramic membrane and modified hybrid membranes.Keywords: water treatment, membranes, ceramic membranes, hybrid membranes, layer-by-layer modification
Procedia PDF Downloads 178235 Sulfamethoxazole Degradation by Conventional Fenton and Microwave-Assisted Fenton Reaction
Authors: Derradji Chebli, Abdallah Bouguettoucha, Zoubir Manaa, Amrane Abdeltif
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Pharmaceutical products, such as sulfamethoxazole (SMX) are rejected in the environment at trace level by human and animals (ng/L to mg/L), in their original form or as byproducts. Antibiotics are toxic contaminants for the aquatic environment, owing to their adverse effects on the aquatic life and humans. Even at low concentrations, they can negatively impact biological water treatment leading to the proliferation of antibiotics-resistant pathogens. It is therefore of major importance to develop efficient methods to limit their presence in the aquatic environment. In this aim, advanced oxidation processes (AOP) appear relevant compared to other methods, since they are based on the production of highly reactive free radicals, and especially ●OH. The objective of this work was to evaluate the degradation of SMX by microwave-assisted Fenton reaction (MW/Fe/H2O2). Hydrogen peroxide and ferrous ions concentrations, as well as the microwave power were optimized. The results showed that the SMX degradation by MW/Fe/H2O2 followed a pseudo-first order kinetic. The treatment of 20 mg/L initial SMX by the Fenton reaction in the presence of microwave showed the positive impact of this latter owing to the higher degradation yields observed in a reduced reaction time if compared to the conventional Fenton reaction, less than 5 min for a total degradation. In addition, increasing microwave power increased the degradation kinetics. Irrespective of the application of microwave, the optimal pH for the Fenton reaction remained 3. Examination of the impact of the ionic strength showed that carbonate and sulfate anions increased the rate of SMX degradation.Keywords: antibiotic, degradation, elimination, fenton, microwave, polluant
Procedia PDF Downloads 397234 Thermoluminescent Response of Nanocrystalline BaSO4:Eu to 85 MeV Carbon Beams
Authors: Shaila Bahl, S. P. Lochab, Pratik Kumar
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Nanotechnology and nanomaterials have attracted researchers from different fields, especially from the field of luminescence. Recent studies on various luminescent nanomaterials have shown their relevance in dosimetry of ionizing radiations for the measurements of high doses using the Thermoluminescence (TL) technique, where the conventional microcrystalline phosphors saturate. Ion beams have been used for diagnostic and therapeutic purposes due to their favorable profile of dose deposition at the end of the range known as the Bragg peak. While dealing with human beings, doses from these beams need to be measured with great precision and accuracy. Henceforth detailed investigations of suitable thermoluminescent dosimeters (TLD) for dose verification in ion beam irradiation are required. This paper investigates the TL response of nanocrystalline BaSO4 doped with Eu to 85 MeV carbon beam. The synthesis was done using Co-precipitation technique by mixing Barium chloride and ammonium sulphate solutions. To investigate the crystallinity and particle size, analytical techniques such as X-ray diffraction (XRD) and Transmission electron microscopy (TEM) were used which revealed the average particle sizes to 45 nm with orthorhombic structure. Samples in pellet form were irradiated by 85 MeV carbon beam in the fluence range of 1X1010-5X1013. TL glow curves of the irradiated samples show two prominent glow peaks at around 460 K and 495 K. The TL response is linear up to 1X1013 fluence after which saturation was observed. The wider linear TL response of nanocrystalline BaSO4: Eu and low fading make it a superior candidate as a dosimeter to be used for detecting the doses of carbon beam.Keywords: radiation, dosimetry, carbon ions, thermoluminescence
Procedia PDF Downloads 286233 Solid-State Synthesis Approach and Optical study of Red Emitting Phosphors Li₃BaSrxCa₁₋ₓEu₂.₇Gd₀.₃(MoO₄)₈ for White LEDs
Authors: Priyansha Sharma, Sibani Mund, Sivakumar Vaidyanathan
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Solid-state synthesis methods were used for the synthesis of pure red emissive Li¬3BaSrxCa(1-x)Eu2.7Gd0.3(MoO4)8 (x = 0.0 to 1.0) phosphors, XRD, SEM, and FTIR spectra were used to characterize the materials, and their optical properties were thoroughly investigated. PL studies were examined at different excitations 230 nm, 275nm, 465nm, and 395 nm. All the spectra show similar emissions with the highest transition at 616 nm due to ED transition. The given phosphor Li¬3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 shows the highest intensity and is thus chosen for the temperature-dependent and Quantum yield study. According to the PL investigation, the phosphor-containing Eu3+ emits red light due to the (5D0 7F2) transition. The excitation analysis shows that all of the Eu3+ activated phosphors exhibited broad absorption due to the charge transfer band, O2-Mo6+, O2-Eu3+ transition, as well as narrow absorption bands related to the Eu3+ ion's 4f-4f electronic transition. Excitation spectra show Charge transfer band at 275 nm shows the highest intensity. The primary band in the spectra refers to Eu3+ ions occupying the lattice's non-centrosymmetric location. All of the compositions are monoclinic crystal structures with space group C2/c and match with reference powder patterns. The thermal stability of the 3BaSr0.25Ca0.75Eu2.7Gd0.3(MoO4)8 phosphor was investigated at (300 k- 500 K) as well as at low temperature from (20 K to 275 K) to be utilized for red and white LED fabrication. The Decay Lifetime of all the phosphor was measured. The best phosphor was used for White and Red LED fabrication.Keywords: PL, phosphor, quantum yield, white LED
Procedia PDF Downloads 73232 Biosorption of Lead (II) from Lead Acid Battery Industry Wastewater by Immobilized Dead Isolated Bacterial Biomass
Authors: Harikrishna Yadav Nanganuru, Narasimhulu Korrapati
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Over the past many years, many sites in the world have been contaminated with heavy metals, which are the largest class of contaminants. Lead is one of the toxic heavy metals contaminated in the environment. Lead is not biodegradable, that’s why it is accumulated in the human body and impacts all the systems of the human body when it has been taken by humans. The accumulation of lead in the water environment has been showing adverse effects on the public health. So the removal of lead from the water environment by the biosorption process, which is emerged as a potential method for the lead removal, is an efficient approach. This work was focused to examine the removal of Lead [Pb (II)] ions from aqueous solution and effluent from battery industry. Lead contamination in water is a widespread problem throughout the world and mainly results from lead acid battery manufacturing effluent. In this work, isolated bacteria from wastewater of lead acid battery industry has been utilized for the removal of lead. First effluent from the lead acid battery industry was characterized by the inductively coupled plasma atomic emission spectrometry (ICP – AES). Then the bacteria was isolated from the effluent and used it’s immobilized dead mass for the biosorption of lead. Scanning electron microscopic (SEM) and Atomic force microscopy (AFM) studies clearly suggested that the Lead (Pb) was adsorbed efficiently. The adsorbed percentage of lead (II) from waste was 97.40 the concentration of lead (II) is measured by Atomic Absorption Spectroscopy (AAS). From the result of AAS it can be concluded that immobilized isolated dead mass was well efficient and useful for biosorption of lead contaminated waste water.Keywords: biosorption, ICP-AES, lead (Pb), SEM
Procedia PDF Downloads 383231 Comparison of Microwave-Assisted and Conventional Leaching for Extraction of Copper from Chalcopyrite Concentrate
Authors: Ayfer Kilicarslan, Kubra Onol, Sercan Basit, Muhlis Nezihi Saridede
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Chalcopyrite (CuFeS2) is the most common primary mineral used for the commercial production of copper. The low dissolution efficiency of chalcopyrite in sulfate media has prevented an efficient industrial leaching of this mineral in sulfate media. Ferric ions, bacteria, oxygen and other oxidants have been used as oxidizing agents in the leaching of chalcopyrite in sulfate and chloride media under atmospheric or pressure leaching conditions. Two leaching methods were studied to evaluate chalcopyrite (CuFeS2) dissolution in acid media. First, the conventional oxidative acid leaching method was carried out using sulfuric acid (H2SO4) and potassium dichromate (K2Cr2O7) as oxidant at atmospheric pressure. Second, microwave-assisted acid leaching was performed using the microwave accelerated reaction system (MARS) for same reaction media. Parameters affecting the copper extraction such as leaching time, leaching temperature, concentration of H2SO4 and concentration of K2Cr2O7 were investigated. The results of conventional acid leaching experiments were compared to the microwave leaching method. It was found that the copper extraction obtained under high temperature and high concentrations of oxidant with microwave leaching is higher than those obtained conventionally. 81% copper extraction was obtained by the conventional oxidative acid leaching method in 180 min, with the concentration of 0.3 mol/L K2Cr2O7 in 0.5M H2SO4 at 50 ºC, while 93.5% copper extraction was obtained in 60 min with microwave leaching method under same conditions.Keywords: extraction, copper, microwave-assisted leaching, chalcopyrite, potassium dichromate
Procedia PDF Downloads 369230 Non-Invasive Techniques for Management of Carious Primary Dentition Using Silver Diamine Fluoride and Moringa Extract as a Modification of the Hall Technique
Authors: Rasha F. Sharaf
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Treatment of dental caries in young children is considered a great challenge for all dentists, especially with uncooperative children. Recently non-invasive techniques have been highlighted as they alleviate the need for local anesthesia and other painful procedures during management of carious teeth and, at the same time, increase the success rate of the treatment done. Silver Diamine Fluoride (SDF) is one of the most effective cariostatic materials that arrest the progression of carious lesions and aid in remineralizing the demineralized tooth structure. Both fluoride and silver ions proved to have an antibacterial action and aid in the precipitation of an insoluble layer that prevents further decay. At the same time, Moringa proved to have an effective antibacterial action against different types of bacteria, therefore, it can be used as a non-invasive technique for the management of caries in children. One of the important theories for the control of caries is by depriving the cariogenic bacteria from nutrients causing their starvation and death, which can be achieved by applying stainless steel crown on primary molars with carious lesions which are not involving the pulp, and this technique is known as Hall technique. The success rate of the Hall technique can be increased by arresting the carious lesion using either SDF or Moringa and gaining the benefit of their antibacterial action. Multiple clinical cases with 1 year follow up will be presented, comparing different treatment options, and using various materials and techniques for non-invasive and non-painful management of carious primary teeth.Keywords: SDF, hall technique, carious primary teeth, moringa extract
Procedia PDF Downloads 95229 Comparison of Methods for the Synthesis of Eu+++, Tb+++, and Tm+++ Doped Y2O3 Nanophosphors by Sol-Gel and Hydrothermal Methods for Bioconjugation
Authors: Ravindra P. Singh, Drupad Ram, Dinesh K. Gupta
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Rare earth ions doped metal oxides are a class of luminescent materials which have been proved to be excellent for applications in field emission displays and cathode ray tubes, plasma display panels. Under UV irradiation Eu+++ doped Y2O3 is a red phosphor and Tb+++ doped Y 2O3 is a green phosphor. It is possible that, due to their high quantum efficiency, they might serve as improved luminescent markers for identification of biomolecules, as already reported for CdSe and CdSe/ZnS nanocrystals. However, for any biological applications these particle powders must be suspended in water while retaining their phosphorescence. We hereby report synthesis and characterization of Eu+++ and Tb+++ doped yttrium oxide nanoparticles by sol-gel and hydrothermal processes. Eu+++ and Tb+++ doped Y2O3 nanoparticles have been synthesized by hydrothermal process using yttrium oxo isopropoxide [Y5O(OPri)13] (crystallized twice) and it’s acetyl acetone modified product [Y(O)(acac)] as precursors. Generally the sol-gel derived metal oxides are required to be annealed to the temperature ranging from 400°C-800°C in order to develop crystalline phases. However, this annealing also results in the development of aggregates which are undesirable for bio-conjugation experiments. In the hydrothermal process, we have achieved crystallinity of the nanoparticles at 300°C and the development of crystalline phases has been found to be proportional to the time of heating of the reactor. The average particle sizes as calculated from XRD were found to be 28 nm, 32 nm, and 34 nm by hydrothermal process. The particles were successfully suspended in chloroform in the presence of trioctyl phosphene oxide and TEM investigations showed the presence of single particles along with agglomerates.Keywords: nanophosphors, Y2O3:Eu+3, Y2O3:Tb+3, sol-gel, hydrothermal method, TEM, XRD
Procedia PDF Downloads 400228 Fungicidal Action of the Mycogenic Silver Nanoparticles Against Aspergillus niger Inciting Collar Rot Disease in Groundnut (Arachis hypogaea L.)
Authors: R. Sarada Jayalakshmi Devi B. Bhaskar, S. Khayum Ahammed, T. N. V. K. V. Prasad
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Use of bioagents and biofungicides is safe to manage the plant diseases and to avoid human health hazards which improves food security. Myconanotechnology is the study of nanoparticles synthesis using fungi and their applications. The present work reports on preparation, characterization and antifungal activity of biogenic silver nanoparticles produced by the fungus Trichoderma sp. which was collected from groundnut rhizosphere. The culture filtrate of Trichoderma sp. was used for the reduction of silver ions (Ag+) in AgNO3 solution to the silver (Ag0) nanoparticles. The different ages (4 days, 6 days, 8 days, 12 days, and 15 days) of culture filtrates were screened for the synthesis of silver nanoparticles. Synthesized silver nanoparticles were characterized using UV-Vis spectrophotometer, particle size and zeta potential analyzer, Fourier Transform Infrared Spectrophotometer (FTIR) and Transmission Electron Microscopy. Among all the treatments the silver nitrate solution treated with six days aged culture filtrate of Trichoderma sp. showed the UV absorption peak at 440 nm with maximum intensity (0.59) after 24 hrs incubation. The TEM micrographs showed the spherical shaped silver nanoparticles with an average size of 30 nm. The antifungal activity of silver nanoparticles against Aspergillus niger causing collar rot disease in groundnut and aspergillosis in humans showed the highest per cent inhibition at 100 ppm concentration (74.8%). The results points to the usage of these mycogenic AgNPs in agriculture to control plant diseases.Keywords: groundnut rhizosphere, Trichoderma sp., silver nanoparticles synthesis, antifungal activity
Procedia PDF Downloads 496227 Urbanization on Green Cover and Groundwater Relationships in Delhi, India
Authors: Kiranmay Sarma
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Recent decades have witnessed rapid increase in urbanization, for which, rural-urban migration is stated to be the principal reason. Urban growth throughout the world has already outstripped the capacities of most of the cities to provide basic amenities to the citizens, including clean drinking water and consequently, they are struggling to get fresh and clean water to meet water demands. Delhi, the capital of India, is one of the rapid fast growing metropolitan cities of the country. As a result, there has been large influx of population during the last few decades and pressure exerted to the limited available water resources, mainly on groundwater. Considering this important aspect, the present research has been designed to study the effects of urbanization on the green cover and groundwater and their relationships of Delhi. For the purpose, four different land uses of the study area have been considered, viz., protected forest area, trees outside forest, maintained park and settlement area. Samples for groundwater and vegetation were collected seasonally in post-monsoon (October), winter (February) and summer (June) at each study site for two years during 2012 and 2014. The results were integrated into GIS platform. The spatial distribution of groundwater showed that the concentration of most of the ions is decreasing from northern to southern parts of Delhi, thus groundwater shows an improving trend from north to south. The depth was found to be improving from south to north Delhi, i.e., opposite to the water quality. The study concludes the groundwater properties in Delhi vary spatially with depending on the types of land cover.Keywords: groundwater, urbanization, GIS, green cover, Delhi
Procedia PDF Downloads 287226 Urban Dust Influence on the Foliar Surface and Biochemical Constituents of Selected Plants in the National Capital Region of Delhi, India
Authors: G. P. Gupta, B. Kumar, S. Singh, U. C. Kulshrestha
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Very high loadings of atmospheric dust in the Indian region contribute to remarkably higher levels of particulate matter. During dry weather conditions which prevail most of the year, dustfall is deposited onto the foliar surfaces affecting their morphology, stomata and biochemical constituents. This study reports chemical characteristics of dustfall, its effect on foliar morphology and biochemical constituents of two medicinal plants i.e. Morus (Morus alba) and Arjun (Terminalia arjuna) in the urban environment of National Capital Region (NCR) of Delhi at two sites i.e. Jawaharlal Nehru University (residential) and Sahibabad (industrial). Atmospheric dust was characterized for major anions (F-, Cl-, NO3-, SO4--) and cations (Na+, NH4+, K+, Mg++, Ca++) along with the biochemical parameters Chl a, Chl b, total chlorophyll, carotenoid, total soluble sugar, relative water content (RWC), pH, and ascorbic acid. The results showed that the concentrations of major ions in dustfall were higher at the industrial site as compared to the residential site due to the higher level of anthropogenic activities. Both the plant species grown at industrial site had significantly lower values of chlorophyll ‘a’, chlorophyll ‘b’, total chlorophyll, carotenoid but relatively higher values of total soluble sugar and ascorbic acid indicating stressful conditions due to industrial and vehicular emissions.Keywords: dustfall, urban environment, biochemical constituents, atmospheric dust
Procedia PDF Downloads 303225 Influence of the Molar Concentration and Substrate Temperature on Fluorine-Doped Zinc Oxide Thin Films Chemically Sprayed
Authors: J. Ramirez, A. Maldonado, M. de la L. Olvera
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The effect of both the molar concentration of the starting solution and the substrate temperature on the electrical, morphological, structural and optical properties of chemically sprayed fluorine-doped zinc oxide (ZnO:F) thin films deposited on glass substrates, is analyzed in this work. All the starting solutions employed were aged for ten days before the deposition. The results show that as the molar concentration increases, a decrease in the electrical resistivity values is obtained, reaching the minimum in films deposited from a 0.4 M solution at 500°C. A further increase in the molar concentration leads to a very slight increase in the resistivity. On the other hand, as the substrate temperature is increased, the resistivity decreases and a tendency towards to minimum value is evidenced; taking the molar concentration as parameter, minimum values are reached at 500°C. The attain of ZnO:F thin films, with a resistivity as low as 7.8×10-3 Ώcm (sheet resistance of 130 Ώ/☐ and film thickness of 600 nm) measured in as-deposited films is reported here for the first time. The concurrent effect of the high molar concentration of the starting solution, the substrate temperature values used, and the ageing of the starting solution, which might cause polymerization of the zinc ions with the fluorine species, enhance the electrical properties. The structure of the films is polycrystalline, with a (002) preferential growth. Molar concentration rules the surface morphology as at low concentration an hexagonal and porous structure is developed changing to a uniform compact and small grain size surface in the films deposited with the high molar concentrations.Keywords: zinc oxide, chemical spray, thin films, TCO
Procedia PDF Downloads 501224 Hybrid Nano Material of Ground Egg Shells with Metal Oxide for Lead Removal
Authors: A. Threepanich, S. Youngme, P. Praipipat
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Although ground egg shells had the ability to eliminate lead in water, their efficiency may decrease in a case of contaminating of other cations such as Na⁺, Ca²⁺ in the water. The development of ground egg shells may solve this problem in which metal oxides are a good choice for this case since they have the ability to remove any heavy metals including lead in the water. Therefore, this study attempts to use this advantage for improving ground egg shells for the specific lead removal efficiency in the water. X-ray fluorescence (XRF) technique was used for the chemical element contents analysis of ground egg shells (GES) and ground egg shells with metal oxide (GESM), and Transmission electron microscope (TEM) technique was used to examine the material sizes. The batch test studies were designed to investigate the factor effects on dose (5, 10, 15 grams), pH (5, 7, 9), and settling time (1, 3, 5 hours) for the lead removal efficiency in the water. The XRF analysis results showed GES contained calcium (Ca) 91.41% and Silicon (Si) 4.03% and GESM contained calcium (Ca) 91.41%, Silicon (Si) 4.03%, and Iron (Fe) 3.05%. TEM results confirmed the sizes of GES and GESM in the range of 1-20 nm. The batch test studies showed the best optimum conditions for the lead removal in the water of GES and GESM in dose, pH, and settling time were 10 grams, pH 9, 5 hours and 5 grams, pH 9, 3 hours, respectively. The competing ions (Na⁺ and Ca²⁺) study reported GESM had the higher % lead removal efficiency than GES at 90% and 60%, respectively. Therefore, this result can confirm that adding of metal oxide to ground egg shells helps to improve the lead removal efficiency in the water.Keywords: nano material, ground egg shells, metal oxide, lead
Procedia PDF Downloads 134223 Bulk Electrical Resistivity of Geopolymer Mortars: The Effect of Binder Composition and Alkali Concentration
Authors: Mahdi Babaee, Arnaud Castel
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One of the main hurdles for commercial adaptation of geopolymer concrete (GPC) as a low-embodied-carbon alternative for Portland cement concrete (PCC) is the durability aspects and its long-term performance in aggressive/corrosive environments. GPC is comparatively a new engineering material and in the absence of a track record of successful durability performance, proper experimental studies to investigate different durability-related characteristics of GPC seem inevitable. In this context, this paper aims to study the bulk electrical resistivity of geopolymer mortars fabricated of blends of low-calcium fly ash (FA) and ground granulated blast-furnace slag (GGBS). Bulk electrical resistivity is recognized as one of the most important parameters influencing the rate of corrosion of reinforcing bars during the propagation phase of corrosion. To investigate the effect of alkali concentration on the resistivity of the samples, 100x200 mm mortar cylinders were cast at different alkali concentration levels, whereas the modulus ratio (the molar ratio of SiO2/Na2O) was fixed for the mixes, and the bulk electrical resistivity was then measured. Also, the effect of the binder composition was assessed with respect to the ratio of FA to GGBS used. Results show a superior performance of samples with higher GGBS content. Lower concentration of the solution has increased the resistivity by reducing the amount of mobile alkali ions in the pore solution. Moreover, GGBS-based samples showed a much sharper increase in the electrical resistivity with decreasing the moisture content.Keywords: bulk resistivity, corrosion, durability, geopolymer concrete
Procedia PDF Downloads 262222 Culturable Diversity of Halophilic Bacteria in Chott Tinsilt, Algeria
Authors: Nesrine Lenchi, Salima Kebbouche-Gana, Laddada Belaid, Mohamed Lamine Khelfaoui, Mohamed Lamine Gana
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Saline lakes are extreme hypersaline environments that are considered five to ten times saltier than seawater (150 – 300 g L-1 salt concentration). Hypersaline regions differ from each other in terms of salt concentration, chemical composition and geographical location, which determine the nature of inhabitant microorganisms. In order to explore the diversity of moderate and extreme halophiles Bacteria in Chott Tinsilt (East of Algeria), an isolation program was performed. In the first time, water samples were collected from the saltern during pre-salt harvesting phase. Salinity, pH and temperature of the sampling site were determined in situ. Chemical analysis of water sample indicated that Na +and Cl- were the most abundant ions. Isolates were obtained by plating out the samples in complex and synthetic media. In this study, seven halophiles cultures of Bacteria were isolated. Isolates were studied for Gram’s reaction, cell morphology and pigmentation. Enzymatic assays (oxidase, catalase, nitrate reductase and urease), and optimization of growth conditions were done. The results indicated that the salinity optima varied from 50 to 250 g L-1, whereas the optimum of temperature range from 25°C to 35°C. Molecular identification of the isolates was performed by sequencing the 16S rRNA gene. The results showed that these cultured isolates included members belonging to the Halomonas, Staphylococcus, Salinivibrio, Idiomarina, Halobacillus Thalassobacillus and Planococcus genera and what may represent a new bacterial genus.Keywords: bacteria, Chott, halophilic, 16S rRNA
Procedia PDF Downloads 278221 In vitro Inhibitory Action of an Aqueous Extract of Carob on the Release of Myeloperoxidase by Human Neutrophils
Authors: Kais Rtibi, Slimen Selmi, Jamel El-Benna, Lamjed Marzouki, Hichem Sebai
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Background: Myeloperoxidase (MPO) is a hemic enzyme found in high concentrations in the primary neutrophils granules. In addition to its peroxidase activity, it has a chlorination activity, using hydrogen peroxide and chloride ions to form hypochlorous acid, a strong oxidant, capable of chlorinating molecules. Bioactive compounds contained in medicinal plants could limit the action of this enzyme to reduce the reactive oxygen species production and its chlorination activity. The purpose of this study is to evaluate the effect of the carob aqueous extract (CAE) on the release of MPO by human neutrophils in vitro and its activity following stimulation of these cells by PMA. Methods: Neutrophils were isolated by simple sedimentation using the Dextran/Ficoll method. After stimulation with phorbol 12-myristate 13-acetate (PMA), neutrophils release the MPO by degranulation. The effect of CAE on the release of MPO was analyzed by the Western blot technique, while, its activity was determined by biochemical method using the method of 3,3', 5,5'- Tetramethylbenzidine (TMB) and hydrogen peroxide. The data were expressed as mean ± SEM. Results: The carob aqueous extract causes a decrease in MPO quantity and activity in a concentration-dependent manner which leads to a reduction of the production of the ROS (reactive oxygen species) and the protection of the molecules against oxidation and chlorination mechanisms. Conclusion: Thanks to its richness in bioactive compounds, the aqueous extract of carob could limit the development of damages related to the uncontrolled activity of MPO.Keywords: carob, MPO, myeloperoxidase, neutrophils, PMA, phorbol 12-myristate 13-acetate
Procedia PDF Downloads 156220 Improvement in the Photocatalytic Activity of Nanostructured Manganese Ferrite – Type of Materials by Mechanochemical Activation
Authors: Katerina Zaharieva, Katya Milenova, Zara Cherkezova-Zheleva, Alexander Eliyas, Boris Kunev, Ivan Mitov
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The synthesized nanosized manganese ferrite-type of samples have been tested as photocatalysts in the reaction of oxidative degradation of model contaminant Reactive Black 5 (RB5) dye in aqueous solutions under UV irradiation. As it is known this azo dye is applied in the textile-coloring industry and it is discharged into the waterways causing pollution. The co-precipitation procedure has been used for the synthesis of manganese ferrite-type of materials: Sample 1 - Mn0.25Fe2.75O4, Sample 2 - Mn0.5Fe2.5O4 and Sample 3 - MnFe2O4 from 0.03M aqueous solutions of MnCl2•4H2O, FeCl2•4H2O and/or FeCl3•6H2O and 0.3M NaOH in appropriate amounts. The mechanochemical activation of co-precipitated ferrite-type of samples has been performed in argon (Samples 1 and 2) or in air atmosphere (Sample 3) for 2 hours at a milling speed of 500 rpm. The mechano-chemical treatment has been carried out in a high energy planetary ball mill type PM 100, Retsch, Germany. The mass ratio between balls and powder was 30:1. As a result mechanochemically activated Sample 4 - Mn0.25Fe2.75O4, Sample 5 - Mn0.5Fe2.5O4 and Sample 6 - MnFe2O4 have been obtained. The synthesized manganese ferrite-type photocatalysts have been characterized by X-ray diffraction method and Moessbauer spectroscopy. The registered X-ray diffraction patterns and Moessbauer spectra of co-precipitated ferrite-type of materials show the presence of manganese ferrite and additional akaganeite phase. The presence of manganese ferrite and small amounts of iron phases is established in the mechanochemically treated samples. The calculated average crystallite size of manganese ferrites varies within the range 7 – 13 nm. This result is confirmed by Moessbauer study. The registered spectra show superparamagnetic behavior of the prepared materials at room temperature. The photocatalytic investigations have been made using polychromatic UV-A light lamp (Sylvania BLB, 18 W) illumination with wavelength maximum at 365 nm. The intensity of light irradiation upon the manganese ferrite-type photocatalysts was 0.66 mW.cm-2. The photocatalytic reaction of oxidative degradation of RB5 dye was carried out in a semi-batch slurry photocatalytic reactor with 0.15 g of ferrite-type powder, 150 ml of 20 ppm dye aqueous solution under magnetic stirring at rate 400 rpm and continuously feeding air flow. The samples achieved adsorption-desorption equilibrium in the dark period for 30 min and then the UV-light was turned on. After regular time intervals aliquot parts from the suspension were taken out and centrifuged to separate the powder from solution. The residual concentrations of dye were established by a UV-Vis absorbance single beam spectrophotometer CamSpec M501 (UK) measuring in the wavelength region from 190 to 800 nm. The photocatalytic measurements determined that the apparent pseudo-first-order rate constants calculated by linear slopes approximating to first order kinetic equation, increase in following order: Sample 3 (1.1х10-3 min-1) < Sample 1 (2.2х10-3 min-1) < Sample 2 (3.3 х10-3 min-1) < Sample 4 (3.8х10-3 min-1) < Sample 6 (11х10-3 min-1) < Sample 5 (15.2х10-3 min-1). The mechanochemically activated manganese ferrite-type of photocatalyst samples show significantly higher degree of oxidative degradation of RB5 dye after 120 minutes of UV light illumination in comparison with co-precipitated ferrite-type samples: Sample 5 (92%) > Sample 6 (91%) > Sample 4 (63%) > Sample 2 (53%) > Sample 1 (42%) > Sample 3 (15%). Summarizing the obtained results we conclude that the mechanochemical activation leads to a significant enhancement of the degree of oxidative degradation of the RB5 dye and photocatalytic activity of tested manganese ferrite-type of catalyst samples under our experimental conditions. The mechanochemically activated Mn0.5Fe2.5O4 ferrite-type of material displays the highest photocatalytic activity (15.2х10-3 min-1) and degree of oxidative degradation of the RB5 dye (92%) compared to the other synthesized samples. Especially a significant improvement in the degree of oxidative degradation of RB5 dye (91%) has been determined for mechanochemically treated MnFe2O4 ferrite-type of sample with the highest extent of substitution of iron ions by manganese ions than in the case of the co-precipitated MnFe2O4 sample (15%). The mechanochemically activated manganese ferrite-type of samples show good photocatalytic properties in the reaction of oxidative degradation of RB5 azo dye in aqueous solutions and it could find potential application for dye removal from wastewaters originating from textile industry.Keywords: nanostructured manganese ferrite-type materials, photocatalytic activity, Reactive Black 5, water treatment
Procedia PDF Downloads 346219 Interaction Evaluation of Silver Ion and Silver Nanoparticles with Dithizone Complexes Using DFT Calculations and NMR Analysis
Authors: W. Nootcharin, S. Sujittra, K. Mayuso, K. Kornphimol, M. Rawiwan
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Silver has distinct antibacterial properties and has been used as a component of commercial products with many applications. An increasing number of commercial products cause risks of silver effects for human and environment such as the symptoms of Argyria and the release of silver to the environment. Therefore, the detection of silver in the aquatic environment is important. The colorimetric chemosensor is designed by the basic of ligand interactions with a metal ion, leading to the change of signals for the naked-eyes which are very useful method to this application. Dithizone ligand is considered as one of the effective chelating reagents for metal ions due to its high selectivity and sensitivity of a photochromic reaction for silver as well as the linear backbone of dithizone affords the rotation of various isomeric forms. The present study is focused on the conformation and interaction of silver ion and silver nanoparticles (AgNPs) with dithizone using density functional theory (DFT). The interaction parameters were determined in term of binding energy of complexes and the geometry optimization, frequency of the structures and calculation of binding energies using density functional approaches B3LYP and the 6-31G(d,p) basis set. Moreover, the interaction of silver–dithizone complexes was supported by UV–Vis spectroscopy, FT-IR spectrum that was simulated by using B3LYP/6-31G(d,p) and 1H NMR spectra calculation using B3LYP/6-311+G(2d,p) method compared with the experimental data. The results showed the ion exchange interaction between hydrogen of dithizone and silver atom, with minimized binding energies of silver–dithizone interaction. However, the result of AgNPs in the form of complexes with dithizone. Moreover, the AgNPs-dithizone complexes were confirmed by using transmission electron microscope (TEM). Therefore, the results can be the useful information for determination of complex interaction using the analysis of computer simulations.Keywords: silver nanoparticles, dithizone, DFT, NMR
Procedia PDF Downloads 207218 Molecular Dynamics Studies of Main Factors Affecting Mass Transport Phenomena on Cathode of Polymer Electrolyte Membrane Fuel Cell
Authors: Jingjing Huang, Nengwei Li, Guanghua Wei, Jiabin You, Chao Wang, Junliang Zhang
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In this work, molecular dynamics (MD) simulation is applied to analyze the mass transport process in the cathode of proton exchange membrane fuel cell (PEMFC), of which all types of molecules situated in the cathode is considered. a reasonable and effective MD simulation process is provided, and models were built and compared using both Materials Studio and LAMMPS. The mass transport is one of the key issues in the study of proton exchange membrane fuel cells (PEMFCs). In this report, molecular dynamics (MD) simulation is applied to analyze the influence of Nafion ionomer distribution and Pt nano-particle size on mass transport process in the cathode. It is indicated by the diffusion coefficients calculation that a larger quantity of Nafion, as well as a higher equivalent weight (EW) value, will hinder the transport of oxygen. In addition, medium-sized Pt nano-particles (1.5~2nm) are more advantageous in terms of proton transport compared with other particle sizes (0.94~2.55nm) when the center-to-center distance between two Pt nano-particles is around 5 nm. Then mass transport channels are found to be formed between the hydrophobic backbone and the hydrophilic side chains of Nafion ionomer according to the radial distribution function (RDF) curves. And the morphology of these channels affected by the Pt size is believed to influence the transport of hydronium ions and, consequently the performance of PEMFC.Keywords: cathode catalytic layer, mass transport, molecular dynamics, proton exchange membrane fuel cell
Procedia PDF Downloads 239217 Rapid Green Synthesis of Silver Nanoparticles Using Solanum Nigrum Leaves Extract with Antimicrobial and Anticancer Properties
Authors: Anushaa A.
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In this work, silver nanoparticles (AgNP) were manufactured directly without harmful chemicals utilising methanol extract (SNLME) Solanum nigrume leaves. We are using nigrum leaf extract from Solanum, which converts silver nitrate to silver ions, for synthesization purposes. An examination of the AgNP produced was performed using ultraviolet (UV-VIS) spectroscopy, infrared spectroscopy (FTIR) transformed from Fourier and scanning electrons (SEM). Biological activity was also tested. UV-VIS has proven that biosynthesized AgNP exists (420-450 nm). The FTIR spectrum has been utilised to confirm the presence of different functional groups within the biomolecules, which are a nanoparticular capping agent and the spectroscopic and crystal nature of AgNP. The viability of the silver nanoparticles was evaluated using zeta potential calculations. Negative zeta potential of -33.4 mV demonstrated the stability of silver-nanoparticles. The morphology of AgNP was examined using a scanning electron microscope. Greenly generated AgNP showed significant anti-Staphylococcus aureus, Candida, and Escherichia coli action. The green AgNP demonstration indicated that the IC50 for the human teratocarcinoma cell line was 29.24 μg/ml during 24 hours of therapy (PA1 Ovarian cell line). The dose-dependent effects were reported in both antibacterial and cytotoxicity assays and as an effective agent. Finally, the findings of this research showed that silver nanoparticles generated might serve as a viable therapeutic agent to combat microorganisms killing and curing cancer.Keywords: antimicrobial activity, PA1 ovarian cancer cell line, silver nanoparticles, Solanum nigrum
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