Search results for: metal complexes

Authors: Taiwo Ebenezer Abioye, Alexis Medrano-Tellez, Peter Kayode Farayibi, Peter Kayode Oke,

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Laser metal deposition by wire feedstock has been established as a process which can provide a high material deposition rate with good quality. Sound mechanical properties of the deposited parts are the pre-requisites for the real applications of this process. This paper investigates the laser metal deposition of 308LSi stainless steel wire within a process window. Single tracks and multiple layer thin-walls of 308LSi stainless steel wire were deposited on 304 stainless steel substrate. The grain structures of the built walls were examined using optical microscopy. The mechanical properties of the built walls including the micro-hardness and tensile properties along the transverse and longitudinal directions were investigated using Vickers hardness tester and tensile test machine. Long columnar grains were found growing in the wall building direction (transverse) and nucleation were observed at the boundary between two deposited layers due to remelting of the previously deposited layers. The results showed that the hardness values of the deposited walls (ranging between 194 HV and 167 HV) decreased from the track-substrate interface to the top of the wall. The ultimate tensile strength (UTS) of the wall (518 ± 7 MPa) showed dependence on wall building directions.

Keywords: laser metal deposition, ultimate tensile strength, hardness, wall, microstructure

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Authors: Sfiso Radebe

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The design models dealing with flawless composite structures are in abundance, where the mechanical properties of composite structures are assumed to be known a priori. However, if the worst case scenario is assumed, where material defects combined with processing anomalies in composite structures are expected, a different solution is attained. Furthermore, if the system being designed combines in series hybrid elements, individually affected by material constant variations, it implies that a different approach needs to be taken. In the body of literature, there is a compendium of research that investigates different modes of failure affecting hybrid metal-composite structures. It covers areas pertaining to the failure of the hybrid joints, structural deformation, transverse displacement, the suppression of vibration and noise. In the present study a system employing a combination of two or more hybrid power transmitting elements will be explored for the least favourable dynamic loads as well as weight minimization, subject to uncertain material properties. Elastic constants are assumed to be uncertain-but-bounded quantities varying slightly around their nominal values where the solution is determined using convex models of uncertainty. Convex analysis of the problem leads to the computation of the least favourable solution and ultimately to a robust design. This approach contrasts with a deterministic analysis where the average values of elastic constants are employed in the calculations, neglecting the variations in the material properties.

Keywords: convex modelling, hybrid, metal-composite, robust design

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Authors: Arvind Mittal, Rajesh Gupta

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Influence of heat input on the micro structure and mechanical properties of shield metal arc welded of duplex stainless steel UNSNO.S-31803 has been investigated. Three heat input combinations designated as low heat (0.675 KJ/mm), medium heat (0.860 KJ/mm) and high heat (1.094 KJ/mm) and weld joints made using these combinations were subjected to micro structural evaluations and tensile and impact testing so as to analyze the effect of thermal arc energy on the micro structure and mechanical properties of these joints. The result of this investigation shows that the joints made using low heat input exhibited higher tensile strength than those welded with medium and high heat input. Heat affected zone of welded joint made with medium heat input has austenitic ferritic grain structure with some patchy austenite provide high toughness. Significant grain coarsening was observed in the heat affected zone (HAZ) of medium and high heat input welded joints, whereas low heat input welded joint shows the fine grain structure in the heat affected zone with small amount of dendritic formation and equiaxed grain structure where inner zone indicates slowly cooled grains in the direction of heat dissipation. This is the main reason for the observable changes of tensile properties of weld joints welded with different arc energy inputs.

Keywords: microstructure, mechanical properties, shield metal arc welded, duplex stainless steel

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Authors: H. O. Udeh, T. E. Kgatla, A. I. O. Jideani

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The effect of Zn2+, Mg2+, and Ba2+ on Saccharomyces pastorianus during very high gravity fermentation was evaluated in this study at independent and three variable combinations. Wort gravity of 21oP was prepared from barley malt, hops and water, to which the metal ions were supplemented in their combinations and subsequently pitched. After 96 h of fermentation, high wort fermentability (%F)= 29.53 was obtained in wort medium containing 900:4 ppm Mg2+ + Ba2+. Increased ethanol titre 7.3491 %(v/v) and 7.1313 %(v/v) were obtained in media containing 900:4 ppm Mg2+ + Ba2+ and 12:900 ppm Zn2+ + Mg2+. Decrease %F= 22.54 and ethanol titre 6.1757% (v/v) was recorded in wort medium containing 12:4 ppm Zn2+ + Ba2+. In media containing the individual metal ions, increased %F= 27.94 and %F= 26.03 were obtained in media containing 700 ppm Mg2+ and 2 ppm Ba2+, with increased ethanol yield of 7.8844% (v/v) and 7.6245% (v/v) respectively. Least %F of 11.75 and 10.80, and ethanol titre of 4.99 (%v/v) and 4.80 (%v/v) were obtained for 10 ppm Zn2+ and 4 ppm Ba2+ respectively.

Keywords: ethanol yield, fermentability, mineral ions, yeast stress, very high gravity fermentation

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Authors: Narasimhulu Korrapati

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The objective of this present study is to optimize the process parameters for batch biosorption of Cr(VI) and Cu(II) ions by Bacillus subtilis using Response Surface Methodology (RSM). Batch biosorption studies were conducted under optimum pH, temperature, biomass concentration and contact time for the removal of Cr(VI) and Cu(II) ions using Bacillus subtilis. From the studies it is noticed that the maximum biosorption of Cr(VI) and Cu(II) was by Bacillus subtilis at optimum conditions of contact time of 30 minutes, pH of 4.0, biomass concentration of 2.0 mg/mL, the temperature of 32°C in batch biosorption studies. Predicted percent biosorption of the selected heavy metal ions by the design expert software is in agreement with experimental results of percent biosorption. The percent biosorption of Cr(VI) and Cu(II) in batch studies is 80% and 78.4%, respectively.

Keywords: heavy metal ions, response surface methodology, biosorption, wastewater

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Authors: N. Tugrul, E. Moroydor Derun, E. Cinar, A. S. Kipcak, N. Baran Acarali, S. Piskin

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Fly ash is an important waste, produced in thermal power plants which causes very important environmental pollutions. For this reason the usage and evaluation the fly ash in various areas are very important. Nearly, 15 million tons/year of fly ash is produced in Turkey. In this study, usage of fly ash with diatomite and molasses for heavy metal (Cd) adsorption from wastewater is investigated. The samples of Seyitomer region fly ash were analyzed by X-ray fluorescence (XRF) and Scanning Electron Microscope (SEM) then diatomite (0 and 1% in terms of fly ash, w/w) and molasses (0-0.75 mL) were pelletized under 30 MPa of pressure for the usage of cadmium (Cd) adsorption in wastewater. After the adsorption process, samples of Seyitomer were analyzed using Optical Emission Spectroscopy (ICP-OES). As a result, it is seen that the usage of Seyitomer fly ash is proper for cadmium (Cd) adsorption and an optimum adsorption yield with 52% is found at a compound with Seyitomer fly ash (10 g), diatomite (0.5 g) and molasses (0.75 mL) at 2.5 h of reaction time, pH:4, 20ºC of reaction temperature and 300 rpm of stirring rate.

Keywords: heavy metal, fly ash, molasses, diatomite, adsorption, wastewater

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Authors: Adebisi M. Tiamiyu, Adewale F. Adeyemi, Olu-Ayobamikale V. Irewunmi

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Fish consumption has increased in recent years in both developing and advanced countries, owing to increased awareness of its nutritional and therapeutic benefits and its availability and affordability relative to other animal protein sources. Fish and fish products, however, are extremely prone to contamination by a wide range of hazardous organic and inorganic substances. This study assessed the levels of three heavy metals, copper (Cu), iron (Fe), and zinc (Zn), in frozen fish imported into Nigeria and sold in Ondo City for their safety for human consumption as recommended by WHO and FEPA. Three species of frozen fish (Scombrus scombrus, Merluccius merluccius, and Clupea harengus) were purchased, and the wet tissues (gills, muscles, and liver) were digested using a 3:1 mixture of nitric acid (HNO3) and hydrochloric acid (HCL). An atomic absorption spectrophotometer (AAS) was used to detect the amount of metal in the tissues. The levels of heavy metals in different fish species' organs varied. The fish had Zn > Fe > Cu heavy metal concentrations in that order. While the concentration of Cu and Fe in the tissues of all three fish species studied were within the WHO and FEPA prescribed limits for food fish, the concentration of Zn in the muscles of M. merluccius (0.262±0.052), C. harengus harengus (0.327±0.099), and S. scombrus (0.362±0.119) was above the prescribed limit (0.075 ppm) set by FEPA. An excessive amount of zinc in the body can cause nausea, headaches, decreased immunity, and appetite loss.

Keywords: heavy metal, atomic absorption spectrophotometer, fish, agencies

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Authors: Paiboon Jeamponk, Tasanee Ponglaa, Patchapon Srisanguan

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The aim of this research paper was based on an examination of sources of water supply and water quality for local consumption, conducted at eco-tourism villages of Suan Luang Sub- District Municipality of Amphawa District, Samut Songkram Province. The study incorporated both questionnaire and field work of water testing as the research tool and method. The sample size of 288 households was based on the population of the district, whereas the selected sample water sources were from 60 households: 30 samples were ground water and another 30 were surface water. Degree of heavy metal contamination in the water including copper, iron, manganese, zinc, cadmium and lead was investigated utilizing the Atomic Absorption- Direct Aspiration method. The findings unveiled that 96.0 percent of household water consumption was based on water supply, while the rest on canal, river and rain water. The household behaviour of consumption revealed that 47.2 percent of people routinely consumed water without boiling or filtering prior to consumption. The investigation of water supply quality found that the degree of heavy metal contamination including metal, lead, iron, copper, manganese and cadmium met the standards of the Department of Health.

Keywords: sources of water supply, water quality, water supply, Thailand

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Authors: M. Gazzah, B. Jaouachi, F. Sakli

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This research focuses on the yarn-to-yarn and metal-to-fabric friction effects on the residual bagging behavior expressed by residual bagging height, volume and recovery of some denim fabrics. The results show, that both residual bagging height and residual bagging volume, which is determined using image analysis method, are significantly affected due to the most influential fabric parameter variations, the weft yarns density and the mean frictional coefficients. After the applied number of fatigue cycles, the findings revealed that the weft yarn rigidity contributes on fabric bagging behavior accurately. Among the tested samples, our results show that the elastic fabrics present a high recovery ability to give low bagging height and volume values.

Keywords: bagging recovery, denim fabric, metal-to-fabric friction, residual bagging height, yarn-to-yarn friction

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Authors: Lotfi Hedi Khezami, Mohamed Ben Rabha, N. Sboui, Mounir Gaidi, B. Bessais

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Metal-nano particle-assisted Chemical Etching is an extraordinary developed wet etching method of producing uniform semiconductor nano structure (nano wires) from patterned metallic film on crystalline silicon surface. The metal films facilitate the etching in HF and H2O2 solution and produce silicon nanowires (SiNWs). Creation of different SiNWs morphologies by changing the etching time and its effects on optical and opto electronic properties was investigated. Combination effect of formed SiNWs and stain etching treatment in acid (HF/HNO3/H2O) solution on the surface morphology of Si wafers as well as on the optical and opto electronic properties are presented in this paper.

Keywords: stain etching, porous silicon, silicon nanowires, reflectivity, lifetime, solar cells

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Authors: Kalina Alina Aidarovna, Khayrullina Yulia Sergeevna

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The question of forming quality housing and living environment remains a vexed problem in the current situation of high-rise apartment building in big cities of Russia. At this start up stage of the modern so-called "mass housing" market it needs to identify key quality characteristics on a different scale from apartments to the district. This paper describes the methodology of qualitative assessment of modern mass housing construction, made on the basis of the ITMO university in cooperation with the institute of spatial planning "Urbanika," based on the case study of St. Petersburg’s residential mass housing built in 2011-2014. The methodology of the study of housing and living environment goes back to the native and foreign urbanists of 60s - 80s, such Jane Jacobs, Jan Gehl, Oscar Newman, Krasheninnikov, as well as Sommer, Stools, Kohnen and Sherrod, Krasilnikova, Sychev, Zhdanov, Tinyaeva considering spatial features of living environment in a wide range of its characteristics (environmental control, territorial and personalization, privacy, etc.). Assessment is carrying out on the proposed system of criteria developed for each residential environment scale-district, quarter, courtyard, building surrounding grounds, houses, and flats. Thus the objects of study are planning unit of residential development areas (residential area, neighborhood, quarter) residential units areas (living artist, a house), and households (apartments) consisting of residential units. As a product of identified methodology, after the results of case studies of more than 700 residential complexes in St. Petersburg, we intend the creation of affordable online resource that would allow conducting a detailed qualitative evaluation or comparative characteristics of residential complexes for all participants of the construction market-developers, designers, realtors and buyers. Thereby the main objective of the rating may be achieved to improve knowledge, requirements, and demand for quality housing and living environment among the major stakeholders of the construction market.

Keywords: methodology of living environment, qualitative assessment of mass housing, scale-district, vexed problem

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Authors: Christian Lauter, Corin Reuter, Shuang Wu, Thomas Troester

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Lightweight construction became more and more important over the last decades in several applications, e.g. in the automotive or aircraft sector. This is the result of economic and ecological constraints on the one hand and increasing safety and comfort requirements on the other hand. In the field of lightweight design, different approaches are used due to specific requirements towards the technical systems. The use of endless carbon fiber reinforced plastics (CFRP) offers the largest weight saving potential of sometimes more than 50% compared to conventional metal-constructions. However, there are very limited industrial applications because of the cost-intensive manufacturing of the fibers and production technologies. Other disadvantages of pure CFRP-structures affect the quality control or the damage resistance. One approach to meet these challenges is hybrid materials. This means CFRP and sheet metal are combined on a material level. Therefore, new opportunities for innovative process routes are realizable. Hybrid lightweight design results in lower costs due to an optimized material utilization and the possibility to integrate the structures in already existing production processes of automobile manufacturers. In recent and current research, the advantages of two-layered hybrid materials have been pointed out, i.e. the possibility to realize structures with tailored mechanical properties or to divide the curing cycle of the epoxy resin into two steps. Current research work at the Chair for Automotive Lightweight Design (LiA) at the Paderborn University focusses on production processes for fiber-metal-laminates. The aim of this work is the development and qualification of a large-scale production process for high-performance fiber-metal-laminates (FML) for industrial applications in the automotive or aircraft sector. Therefore, the prepreg-press-technology is used, in which pre-impregnated carbon fibers and sheet metals are formed and cured in a closed, heated mold. The investigations focus e.g. on the realization of short process chains and cycle times, on the reduction of time-consuming manual process steps, and the reduction of material costs. This paper gives an overview over the considerable steps of the production process in the beginning. Afterwards experimental results are discussed. This part concentrates on the influence of different process parameters on the mechanical properties, the laminate quality and the identification of process limits. Concluding the advantages of this technology compared to conventional FML-production-processes and other lightweight design approaches are carried out.

Keywords: composite material, fiber-metal-laminate, lightweight construction, prepreg-press-technology, large-series production

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Authors: Neha Parekh, Divya Ladha, Poonam Wadhwani, Nisha Shah

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Nano scaled materials have attracted tremendous interest as corrosion inhibitor due to their high surface area on the metal surfaces. It is well known that the zinc oxide nanoparticles have higher reactivity towards aqueous acidic solution. This work presents a new method to incorporate zinc oxide nanoparticles with white sesame seeds extract (nano-green inhibitor) for corrosion protection of zinc in acidic medium. The morphology of the zinc oxide nanoparticles was investigated by TEM and DLS. The corrosion inhibition efficiency of the green inhibitor and nano-green inhibitor was determined by Gravimetric and electrochemical impedance spectroscopy (EIS) methods. Gravimetric measurements suggested that nano-green inhibitor is more effective than green inhibitor. Furthermore, with the increasing temperature, inhibition efficiency increases for both the inhibitors. In addition, it was established the Temkin adsorption isotherm fits well with the experimental data for both the inhibitors. The effect of temperature and Temkin adsorption isotherm revealed Chemisorption mechanism occurring in the system. The activation energy (Ea) and other thermodynamic parameters for inhibition process were calculated. The data of EIS showed that the charge transfer controls the corrosion process. The surface morphology of zinc metal (specimen) in absence and presence of green inhibitor and nano-green inhibitor were performed using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) techniques. The outcomes indicated a formation of a protective layer over zinc metal (specimen).

Keywords: corrosion, green inhibitor, nanoparticles, zinc

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Authors: Bahriye Gülgün, Gökhan Balik, Şükrü Dursun, Kübra Yazici

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The main reasons such as economic growth of society increase of the world population and rapid changes of industrialization cause the amount and the types of pollutants to increase over time. Soil pollution is the typical side effect of industrial activities. As a result of industrial activities, there are large amounts of heavy metal emission every year. Heavy metals are one of the highest pollution sources according to the soil pollution aspect. The usage of hyperaccumulator plants to clean heavy metal polluted soils and the selection of plants for phytoremediation gain importance recently. There are limited numbers of researches on the ornamental plant types of phytoremediation thus; researches on this subject are important. This research is prepared based on the ornamental plant types with phytoremediation abilities.

Keywords: phytoremediation, ornamental plants, landscape reclamation, soil reclamation, environmental pollution

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Authors: Özgür Öztürk, Cumhur Sipahi, Hande Yeşil

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Implant retained restorations commonly consist of a metal-framework veneered with ceramic or composite facings. The increasing and expanding use of indirect resin composites in dentistry is a result of innovations in materials and processing techniques. Of special interest to the implant restorative field is the possibility that composites present significantly lower peak vertical and transverse forces transmitted at the peri-implant level compared to metal-ceramic supra structures in implant-supported restorations. A 43-year-old male patient referred to the department of prosthodontics for an implant retained fixed prosthesis. The clinical and radiographic examination of the patient demonstrated the presence of an implant in the right mandibular first molar tooth region. A considerable amount of marginal bone loss around the implant was detected in radiographic examinations combined with a remarkable peri-implant soft tissue deficiency. To minimize the chewing loads transmitted to the implant-bone interface it was decided to fabricate an indirect composite resin veneered single metal crown over a screw-retained abutment. At the end of the treatment, the functional and aesthetic deficiencies were fully compensated. After a 6 months clinical and radiographic follow-up period the not any additional pathologic invasion was detected in the implant-bone interface and implant retained restoration did not reveal any vehement complication.

Keywords: dental implant, fixed partial dentures, indirect composite resin, peri-implant defects

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Authors: M. Mathuthu, N. N. Gaxela, R. Y. Olobatoke

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A study was carried out to assess the heavy metal and radionuclide concentrations of water from the waste water treatment plant in Mafikeng Local Municipality to evaluate treatment efficiency. Ten water samples were collected from various stages of water treatment which included sewage delivered to the plant, the two treatment stages and the effluent and also the community. The samples were analyzed for heavy metal content using Inductive Coupled Plasma Mass Spectrometer. Gross α/β activity concentration in water samples was evaluated by Liquid Scintillation Counting whereas the concentration of individual radionuclides was measured by gamma spectroscopy. The results showed marked reduction in the levels of heavy metal concentration from 3 µg/L (As)–670 µg/L (Na) in sewage into the plant to 2 µg/L (As)–170 µg/L (Fe) in the effluent. Beta activity was not detected in water samples except in the in-coming sewage, the concentration of which was within reference limits. However, the gross α activity in all the water samples (7.7-8.02 Bq/L) exceeded the 0.1 Bq/L limit set by World Health Organization (WHO). Gamma spectroscopy analysis revealed very high concentrations of 235U and 226Ra in water samples, with the lowest concentrations (9.35 and 5.44 Bq/L respectively) in the in-coming sewage and highest concentrations (73.8 and 47 Bq/L respectively) in the community water suggesting contamination along water processing line. All the values were considerably higher than the limits of South Africa Target Water Quality Range and WHO. However, the estimated total doses of the two radionuclides for the analyzed water samples (10.62 - 45.40 µSv yr-1) were all well below the reference level of the committed effective dose of 100 µSv yr-1 recommended by WHO.

Keywords: gross α/β activity, heavy metals, radionuclides, 235U, 226Ra, water sample

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Authors: Bukunola A.Oguntade, Abdul- Azeez A. Oderinde

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Fishbone is a type of waste generated from food and food processing industries. Fishbone wastes are usually treated as the source of organic matter for the by-production. It is a rich source of hydroxyapatite (HAP). In this study, the adsorption behavior of fishbone was examined in a batch system as an economically viable adsorbent for the removal of Ni⁺² ions from aqueous solution. The powdered fishbone was characterized using Fourier Transform Infrared (FT-IR) spectrophotometer and Scanning Electron microscope (SEM). The study investigated the influence of adsorbent dosage, solution pH, contact time, and initial metal concentration on the removal of Nickel (II) ions at room temperature. The batch kinetics study showed that the optimum adsorption of Ni(II) was 98% at pH 7, metal ion concentration of 30 mg/L. The results obtained from the experimental work showed that fishbone can be used as an adsorbent for the removal of Ni(II) ions from aqueous solution.

Keywords: adsorption, aqueous media, fishbone, kinetic study

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Authors: Alexander Pesin, Denis Pustovoytov, Mikhail Sverdlik

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Materials with ultrafine-grained structure and unique physical and mechanical properties can be obtained by methods of severe plastic deformation, which include processes of asymmetric rolling (AR). Asymmetric rolling is a very effective way to create ultrafine-grained structures of metals and alloys. Since the asymmetric rolling is a continuous process, it has great potential for industrial production of ultrafine-grained structure sheets. Basic principles of asymmetric rolling are described in detail in scientific literature. In this work finite element modeling of asymmetric rolling and metal forming processes in multiroll gauge was performed. Parameters of the processes which allow achieving significant values of shear strain were defined. The results of the study will be useful for the research of the evolution of ultra-fine metal structure in asymmetric rolling.

Keywords: asymmetric rolling, equivalent strain, FEM, multiroll gauge, profile, severe plastic deformation, shear strain, sheet

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Authors: Lucia Rozumová, Ivo Šafařík, Jana Seidlerová, Pavel Kůs

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Biosorption by biological waste materials from agriculture industry could be a cost-effective technique for removing metal ions from wastewater. The performance of new biosorbent systems, consisting of the waste matrixes which were magnetically modified by iron oxide nanoparticles, for the removal of lead ions from an aqueous solution was tested. The use of low-cost and eco-friendly adsorbents has been investigated as an ideal alternative to the current expensive methods. This article deals with the removal of metal ions from aqueous solutions by modified waste products - orange peels, sawdust, peanuts husks, used tea leaves and ground coffee sediment. Magnetically modified waste materials were suspended in methanol and then was added ferrofluid (magnetic iron oxide nanoparticles). This modification process gives the predictions for the formation of the smart materials with new properties. Prepared material was characterized by using scanning electron microscopy, specific surface area and pore size analyzer. Studies were focused on the sorption and desorption properties. The changes of iron content in magnetically modified materials after treatment were observed as well. Adsorption process has been modelled by adsorption isotherms. The results show that magnetically modified materials during the dynamic sorption and desorption are stable at the high adsorbed amount of lead ions. The results of this study indicate that the biological waste materials as sorbent with new properties are highly effective for the treatment of wastewater.

Keywords: biological waste, sorption, metal ions, ferrofluid

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Authors: Ved Vrat Verma, Rani Gupta, Manisha Goel

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γ-glutamyltranspeptidase (GGT: EC 2.3.2.2) is an N-terminal nucleophile hydrolase conserved in all three domains of life. GGT plays a key role in glutathione metabolism where it catalyzes the breakage of the γ-glutamyl bonds and transfer of γ-glutamyl group to water (hydrolytic activity) or amino acids or short peptides (transpeptidase activity). GGTs from bacteria, archaea, and eukaryotes (human, rat and mouse) are homologous proteins sharing >50% sequence similarity and conserved four layered αββα sandwich like three dimensional structural fold. These proteins though similar in their structure to each other, are quite diverse in their enzyme activity: some GGTs are better at hydrolysis reactions but poor in transpeptidase activity, whereas many others may show opposite behaviour. GGT is known to be involved in various diseases like asthma, parkinson, arthritis, and gastric cancer. Its inhibition prior to chemotherapy treatments has been shown to sensitize tumours to the treatment. Microbial GGT is known to be a virulence factor too, important for the colonization of bacteria in host. However, all known inhibitors (mimics of its native substrate, glutamate) are highly toxic because they interfere with other enzyme pathways. However, a few successful efforts have been reported previously in designing species specific inhibitors. We aim to leverage the diversity seen in GGT family (pathogen vs. eukaryotes) for designing specific inhibitors. Thus, in the present study, we have used DIVERGE software to identify sites in GGT proteins, which are crucial for the functional and structural divergence of these proteins. Since, type II divergence sites vary in clade specific manner, so type II divergent sites were our focus of interest throughout the study. Type II divergent sites were identified for pathogen vs. eukaryotes clusters and sites were marked on clade specific representative structures HpGGT (2QM6) and HmGGT (4ZCG) of pathogen and eukaryotes clade respectively. The crucial divergent sites within 15 A radii of the binding cavity were highlighted, and in-silico mutations were performed on these sites to delineate the role of these sites on the mechanism of catalysis and protein folding. Further, the amino acid network (AAN) analysis was also performed by Cytoscape to delineate assortative mixing for cavity divergent sites which could strengthen our hypothesis. Additionally, molecular dynamics simulations were performed for wild complexes and mutant complexes close to physiological conditions (pH 7.0, 0.1 M ionic strength and 1 atm pressure) and the role of putative divergence sites and structural integrities of the homologous proteins have been analysed. The dynamics data were scrutinized in terms of RMSD, RMSF, non-native H-bonds and salt bridges. The RMSD, RMSF fluctuations of proteins complexes are compared, and the changes at protein ligand binding sites were highlighted. The outcomes of our study highlighted some crucial divergent sites which could be used for novel inhibitors designing in a species-specific manner. Since, for drug development, it is challenging to design novel drug by targeting similar protein which exists in eukaryotes, so this study could set up an initial platform to overcome this challenge and help to deduce the more effective targets for novel drug discovery.

Keywords: γ-glutamyltranspeptidase, divergence, species-specific, drug design

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Authors: Miled Amel, Ben Maad Hatem, Askri Faouzi, Ben Nasrallah Sassi

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Metal hydride water pumping system uses hydrogen as working fluid to pump water for low head and high discharge. The principal operation of this pump is based on the desorption of hydrogen at high pressure and its absorption at low pressure by a metal hydride. This work is devoted to study a concept of the dynamic behavior of a metal hydride pump using unsteady model and LaNi5 as hydriding alloy. This study shows that with MHP, it is possible to pump 340l/kg-cycle of water in 15 000s using 1 Kg of LaNi5 at a desorption temperature of 360 K, a pumping head equal to 5 m and a desorption gear ratio equal to 33. This study reveals also that the error given by the steady model, using LaNi5 is about 2%.A dimensional mathematical model and the governing equations of the pump were presented to predict the coupled heat and mass transfer within the MHP. Then, a numerical simulation is carried out to present the time evolution of the specific water discharge and to test the effect of different parameters (desorption temperature, absorption temperature, desorption gear ratio) on the performance of the water pumping system (specific water discharge, pumping efficiency and pumping time). In addition, a comparison between results obtained with steady and unsteady model is performed with different hydride mass. Finally, a geometric configuration of the reactor is simulated to optimize the pumping time.

Keywords: dynamic behavior, LaNi5, performance of water pumping system, unsteady model

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Authors: D. Artamonov, A. Tsibulnikova, I. Samusev, V. Bryukhanov, A. Kozhevnikov

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The synthesis and luminescent properties of Yb₂O₃, Nd₂O₃@Bi₂O₃ complex with upconversion generation are discussed in this work. The obtained samples were measured in the visible region of the spectrum under excitation with a wavelength of 980 nm. The studies showed that the obtained complexes have a high degree of stability and intense luminescence in the wavelength range of 400-750 nm. Consideration of the time dependence of the intensity of the upconversion luminescence allowed us to conclude that the enhancement of the intensity occurs in the time interval from 5 to 30 min, followed by the appearance of a stationary mode.

Keywords: lasers, luminescence, upconversion photonics, rare earth metals

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Authors: Xiaoyu Li, Wenchuan Ding, Yujia Yia

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As the nanoscale zinc oxide particles (nano-ZnO) accumulate in the landfill, nano-ZnO will enter the landfill leachate and come into contact with the heavy metal ions in leachate, which will change their transport process in the landfill and, furthermore, affect each other's environmental fate and toxicity. In this study, we explored the transport of co-existing nano-ZnO, Cu(II) and Cr(VI) ions by column experiments under different stages of landfill leachate conditions (flow rate, pH, ionic strength, humic acid). The results show that Cu(II) inhibits the transport of nano-ZnO in the quartz sand column by increasing the surface potential of nano-ZnO, and nano-ZnO increases the retention of Cu(II) in the quartz sand column by adsorbing Cu(II) ions. Cr(VI) promotes the transport of nano-ZnO in the quartz sand column by neutralizing the surface potential of the nano-ZnO which reduces electrostatic attraction between nZnO and quartz sand, but the nano-ZnO has no effect on the transport of Cr(VI). The nature of landfill leachates such as flow rate, pH, ionic strength (IS) and humic acid (HA) has a certain effect on the transport of coexisting nano-ZnO and heavy metal ions. For leachate containing Cu(II) and Cr(VI) ions, at the initial stage of landfilling, the pH of leachate is acidic, ionic strength value is high, the humic acid concentration is low, and the transportability of nano-ZnO is weak. As the landfill age increased, the pH value in the leachate gradually increases, when the ions are raised to alkaline, these ions are trending to precipitated or adsorbed to the solid wastes in landfill, which resulting in low IS value of leachate. At the same time, more refractory organic matter gradually increases such as HA, which provides repulsive steric effects, so the nano-ZnO is more likely to migrate. Overall, the Cr(VI) can promote the transport of nano-ZnO more than Cu(II).

Keywords: heavy metal ions, landfill leachate, nano-ZnO, transport

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Authors: Havva Tutar Kahraman, Erol Pehlivan

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In recent years, environmental pollution by wastewater rises very critically. Effluents discharged from various industries cause this challenge. Different type of pollutants such as organic compounds, oxyanions, and heavy metal ions create this threat for human bodies and all other living things. However, heavy metals are considered one of the main pollutant groups of wastewater. Therefore, this case creates a great need to apply and enhance the water treatment technologies. Among adopted treatment technologies, adsorption process is one of the methods, which is gaining more and more attention because of its easy operations, the simplicity of design and versatility. Ion exchange process is one of the preferred methods for removal of heavy metal ions from aqueous solutions. It has found widespread application in water remediation technologies, during the past several decades. Therefore, the purpose of this study is to the removal of hexavalent chromium, Cr(VI), from aqueous solutions. Cr(VI) is considered as a well-known highly toxic metal which modifies the DNA transcription process and causes important chromosomic aberrations. The treatment and removal of this heavy metal have received great attention to maintaining its allowed legal standards. The purpose of the present paper is an attempt to investigate some aspects of the use of three anion exchange resins: Eichrom 1-X4, Lewatit Monoplus M800 and Lewatit A8071. Batch adsorption experiments were carried out to evaluate the adsorption capacity of these three commercial resins in the removal of Cr(VI) from aqueous solutions. The chromium solutions used in the experiments were synthetic solutions. The parameters that affect the adsorption, solution pH, adsorbent concentration, contact time, and initial Cr(VI) concentration, were performed at room temperature. High adsorption rates of metal ions for the three resins were reported at the onset, and then plateau values were gradually reached within 60 min. The optimum pH for Cr(VI) adsorption was found as 3.0 for these three resins. The adsorption decreases with the increase in pH for three anion exchangers. The suitability of Freundlich, Langmuir and Scatchard models were investigated for Cr(VI)-resin equilibrium. Results, obtained in this study, demonstrate excellent comparability between three anion exchange resins indicating that Eichrom 1-X4 is more effective and showing highest adsorption capacity for the removal of Cr(VI) ions. Investigated anion exchange resins in this study can be used for the efficient removal of chromium from water and wastewater.

Keywords: adsorption, anion exchange resin, chromium, kinetics

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Authors: V. C. Shruti, P. F. Rodríguez-Espinosa, D. C. Escobedo-Urías, Estefanía Martinez Tavera, M. P. Jonathan

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Atoyac River, a major south-central river flowing through the states of Puebla and Tlaxcala in Mexico is significantly impacted by the natural volcanic inputs in addition with wastewater discharges from urban, agriculture and industrial zones. In the present study, core samples were collected from R. Atoyac and analyzed for sediment granularity, major (Al, Fe, Ca, Mg, K, P and S) and trace elemental concentrations (Ba, Cr, Cd, Mn, Pb, Sr, V, Zn, Zr). The textural studies reveal that the sediments are mostly sand sized particles exceeding 99% and with very few to no presence of mud fractions. It is observed that most of the metals like (avg: all values in μg g^-1) Ca (35,528), Mg (10,789), K (7453), S (1394), Ba (203), Cr (30), Cd (4), Pb (11), Sr (435), Zn (76) and Zr (88) are enriched throughout the sediments mainly sourced from volcanic inputs, source rock composition of Atoyac River basin and industrial influences from the Puebla city region. Contamination indices, such as anthropogenic factor (AF), enrichment factor (EF) and geoaccumulation index (I_geo), were used to investigate the level of contamination and toxicity as well as quantitatively assess the influences of human activities on metal concentrations. The AF values (>1) for Ba, Ca, Mg, Na, K, P and S suggested volcanic inputs from the study region, where as Cd and Zn are attributed to the impacts of industrial inputs in this zone. The EF and I_geo values revealed an extreme enrichment of S and Cd. The ecological risks were evaluated using potential ecological risk index (RI) and the results indicate that the metals Cd and V pose a major hazard for the biological community.

Keywords: Atoyac River, contamination indices, metal concentrations, Mexico, textural studies

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Authors: Mehmet Ali Topçu, Aydın Ruşen

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Çinkur is the only plant in Turkey that produces zinc from primary ore containing zinc carbonate from its establishment until 1997. After this year, zinc concentrate coming from Iran was used in this plant. Therefore, there are two different leach residues namely Turkish leach residue (TLR) and Iranian leach residue (ILR), in Çinkur stock piles. This paper describes zinc recovery by sulphuric acid (H2SO4) treatment for each leach residue and includes comparison of blended of TLR and ILR. Before leach experiments; chemical, mineralogical and thermal analysis of three different leach residues was carried out by using atomic absorption spectrometry (AAS), X-Ray diffraction (XRD) and differential thermal analysis (DTA), respectively. Leaching experiments were conducted at optimum conditions; 100 oC, 150 g/L H2SO4 and 2 hours. In the experiments, stirring rate was kept constant at 600 r/min which ensures complete mixing in leaching solution. Results show that zinc recovery for Iranian LR was higher than Turkish LR due to having different chemical composition from each other.

Keywords: hydrometallurgy, leaching, metal extraction, metal recovery

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Authors: Juliana A. B. Silva, Caio H. T. L. Albuquerque, Leonardo L. dos Santos, Cristiane K. Oliveira, Ivani Malvestiti, Fernando Hallwass, Ricardo L. Longo

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Complexes with lanthanide ions have been extensively studied due to their applications as luminescent, magnetic and catalytic materials as molecular or extended crystals, thin films, glasses, polymeric matrices, ionic liquids, and in solution. NMR chemical shift data in solution have been reported and suggest fluxional structures in a wide range of coordination compounds with rare earth ions. However, the fluxional mechanisms for these compounds are still not established. This structural fluxionality may affect the photophysical, catalytic and magnetic properties in solution. Thus, understanding the structural interconversion mechanisms may aid the design of coordination compounds with, for instance, improved (electro)luminescence, catalytic and magnetic behaviors. The [Eu(btfa)₃bipy] complex, where btfa= 4,4,4-trifluoro-1-phenyl-1,3-butanedionate and bipy= 2,2’-bipiridyl, has a well-defined X-ray crystallographic structure and preliminary 1H NMR data suggested a structural fluxionality. Thus, we have investigated a series of coordination compounds with lanthanide ions [Ln(btfa)₃L], where Ln = La, Eu, Gd or Yb and L= bipy or phen (phen=1,10-phenanthroline) using a combined theoretical-experimental approach. These complexes were synthesized and fully characterized, and detailed NMR measurements were obtained. They were also studied by quantum chemical computational methods (DFT-PBE0). The aim was to determine the relevant factors in the structure of these compounds that favor or not the fluxional behavior. Measurements of the 1H NMR signals at variable temperature in CD₂Cl₂ of the [Eu(btfa)₃L] complexes suggest that these compounds have a fluxional structure, because the crystal structure has non-equivalent btfa ligands that should lead to non-equivalent hydrogen atoms and thus to more signals in the NMR spectra than those obtained at room temperature, where all hydrogen atoms of the btfa ligands are equivalent, and phen ligand has an effective vertical symmetry plane. For the [Eu(btfa)₃bipy] complex, the broadening of the signals at –70°C provides a lower bound for the coalescence temperature, which indicates the energy barriers involved in the structural interconversion mechanisms are quite small. These barriers and, consequently, the coalescence temperature are dependent upon the radii of the lanthanide ion as well as to their paramagnetic effects. The PBE0 calculated structures are in very good agreement with the crystallographic data and, for the [Eu(btfa)₃bipy] complex, this method provided several distinct structures with almost the same energy. However, the energy barrier for structural interconversion via dissociative pathways were found to be quite high and could not explain the experimental observations. Whereas the pseudo-rotation pathways, involving the btfa and bipy ligands, have very small activation barriers, in excellent agreement with the NMR data. The results also showed an increase in the activation barrier along the lanthanide series due to the decrease of the ionic radii and consequent increase of the steric effects. TD-DFT calculations showed a dependence of the ligand donor state energy with different structures of the complex [Eu(btfa)₃phen], which can affect the energy transfer rates and the luminescence. The energy required to promote the structural fluxionality may also enhance the luminescence quenching in solution. These results can aid in the design of more luminescent compounds and more efficient devices.

Keywords: computational chemistry, lanthanide-based compounds, NMR, structural fluxionality

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Authors: Hiroyuki Aoki

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The optoacoustic effect is the energy conversion phenomenon from light to sound. In recent years, this optoacoustic effect has been utilized for an imaging agent to visualize a tumor site in a living body. The optoacoustic imaging agent absorbs the light and emits the sound signal. The sound wave can propagate in a living organism with a small energy loss; therefore, the optoacoustic imaging method enables the molecular imaging of the deep inside of the body. In order to improve the imaging quality of the optoacoustic method, the more signal intensity is desired; however, it has been difficult to enhance the signal intensity of the optoacoustic imaging agent because the fundamental mechanism of the signal generation is unclear. This study deals with the mechanism to generate the sound wave signal from the optoacoustic imaging agent following the light absorption by experimental and theoretical approaches. The optoacoustic signal efficiency for the nano-particles consisting of metal and polymer were compared, and it was found that the polymer particle was better. The heat generation and transfer process for optoacoustic agents of metal and polymer were theoretically examined. It was found that heat generated in the metal particle rapidly transferred to the water medium, whereas the heat in the polymer particle was confined in itself. The confined heat in the small particle induces the massive volume expansion, resulting in the large optoacoustic signal for the polymeric particle agent. Thus, we showed that heat confinement is a crucial factor in designing the highly efficient optoacoustic imaging agent.

Keywords: nano-particle, opto-acoustic effect, in vivo imaging, molecular imaging

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Authors: Francis Angelo A. Sta. Ana

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Heavy metal pollutants are a major environmental concern in built-up areas in the Philippines. It causes negative effects on aquatic organisms and human health. Heavy metals concentrations of chromium, mercury, lead, copper, arsenic, zinc, cadmium, and nickel were investigated in Sta. Maria river, in Laguna. A total of 16 sediment samples were collected from the river at four stations. Atomic absorption spectroscopy (AAS) was used for element detection. It is found that copper is associated with chromium based on statistical analysis using principal component analysis (PCA). Conduct of Sediment Quality Guideline (SQG) revealed that chromium has high toxicity due to values higher than Sediment Quality Guidelines Probable Effect Level (SQG’s PEL). Copper, Nickel, and Pb fall on average toxicity while others are below PEL and effect range low (ERL).

Keywords: heavy metals, pollutants, sediment quality guidelines, atomic absorption spectroscopy

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Authors: Rabah Bensaha, Badreddine Toubal

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We investigate the structural, optical and magnetic properties of TiO2, Co-doped TiO2, Ni-doped TiO2 and Co-Ni co-doped TiO2 thin films prepared by the sol-gel dip coating method. Fully anatase phase was obtained by adding metal ions without any detectable impurity phase or oxide formed. AFM and SEM micrographs clearly confirm that the addition of Co-Ni affects the shape of anatase nanoparticles. The crystallite sizes and surface roughness of TiO2 films increase with Co-doping, Ni-doping and Co–Ni co-doping, respectively. The refractive index, thickness and optical band gap values of the films were obtained by means of optical transmittance spectra measurements. The band gap of TiO2 sample was decreased by Co-doping, Ni-doping and Co–Ni co-doping TiO2 films. Both undoped and Co-Ni co-doped films were found to be ferromagnetic at room temperature may due to the presence of oxygen vacancy defect and the probable formation of metal clusters Co-Ni.

Keywords: Co-Ni co-doped, anatase TiO2, ferromagnetic, sol-gel method, thin films

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