Search results for: quartz crystal microbalance (QCM)

Authors: Mohamedou El Boukhary, Farba Bouyagui Tamboura, A. Hamady Barry, T. Moussa Seck, Mohamed L. Gaye

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Nowadays, low-schiff acyl-hydrazone ligands are highly sought after due to their wide applications in various fields of biology, coordination chemistry, and catalysis. They are studied for their antioxidant, antibacterial and antiviral properties. The complexes of transition metals and the lanthanide they derive are well known for their magnetic, optical, and catalytic properties. In this work, we present the synthesis of an acyl-hydrazone (H2L) schiff base and their 3d transition complexes. The ligand (H2L) is characterized by IR, NMR (1H; 13C) spectroscopy. The complexes are characterized by different physic-chemical techniques such as IR, UV-visible, conductivity, measurement of magnetic susceptibility. The study of XRD allowed us to elucidate the crystalline structure of the manganese (Mn) complex. The asymmetric unit of the complex is composed of two molecules of the ligand, one manganese (II) ion, and two coordinate chloride ions; the environment around Mn is described as a pentagonal base bipyramid. In the crystal lattice, the asymmetric unit is bound by hydrogen bonds.

Keywords: synthene, acyl-hydrazone, 3D transition metal complex, application

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Authors: Pooja S. Billade, Sanjay S. Chopade

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This paper focuses on the design of three phase induction motor control using single phase input and GSM.The controller used in this work is a wireless speed control using a GSM technique that proves to be very efficient and reliable in applications.The most common principle is the constant V/Hz principle which requires that the magnitude and frequency of the voltage applied to the stator of a motor maintain a constant ratio. By doing this, the magnitude of the magnetic field in the stator is kept at an approximately constant level throughout the operating range. Thus, maximum constant torque producing capability is maintained. The energy that a switching power converter delivers to a motor is controlled by Pulse Width Modulated signals applied to the gates of the power transistors in H-bridge configuration. PWM signals are pulse trains with fixed frequency and magnitude and variable pulse width. When a PWM signal is applied to the gate of a power transistor, it causes the turn on and turns off intervals of the transistor to change from one PWM period.

Keywords: index terms— PIC, GSM (global system for mobile), LCD (Liquid Crystal Display), IM (Induction Motor)

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Authors: Imana Shahrin Tania, Mohammad Ali

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The present study reports the synthesis, characterization and application of nano-sized zinc-oxide (ZnO) particles on a cotton fabric surface. The aim of the investigations is to impart the antimicrobial activity on textile cloth. Nanoparticle is synthesized by wet chemical method from zinc sulphate and sodium hydroxide. SEM (scanning electron micrograph) images are taken to demonstrate the surface morphology of nanoparticles. XRD analysis is done to determine the crystal size of the nanoparticle. With the conformation of nanoformation, the cotton woven fabric is treated with ZnO nanoparticle by mechanical thermo-fixation (pad-dry-cure) technique. To increase the wash durability of nano treated fabric, an acrylic binder is used as a fixing agent. The treated fabric shows up to 90% bacterial reduction for S. aureus (Staphylococcus aureus) and 87% for E. coli (Escherichia coli) which is appreciable for bacteria protective clothing.

Keywords: nanoparticle, zinc oxide, cotton fabric, antibacterial activity, binder

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Authors: Vaishali Sharma, Anirbid Sircar

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Energy is one of the most eminent and fundamental strategic commodity, scarcity of which may poses great impact on the functioning of the entire commodity. According to the present study, the estimated reserves of gas in India as on 31.03.2015 stood at 1427.15 BCM. It is expected that the gas demand is set to grow significantly at a CAGR of 7% from 226.7 MMSCMD in 2012-13 to 713.5 MMSCMD in 2009-30. To bridge the gap between the demand and supply of energy, the interest towards the exploration and exploitation of unconventional resources like – Shale gas, Coal bed methane, Gas hydrates, tight gas etc has immensed. Nowadays, Shale gas prospects are emerging rapidly as a promising energy source globally. The United States of America (USA) has 240 TCF of proved reserves of shale gas and presently contributed more than 17% of total gas production. As compared to USA, shale gas production in India is at nascent stage. A resource potential of around 2000 TCF is estimated and according to preliminary data analysis, basins like Gondwana, Cambay, Krishna – Godavari, Cauvery, Assam-Arakan, Rajasthan, Vindhyan, and Bengal are the most promising shale gas basins. In the present study, the careful evaluation of Cambay Shale (Indian Shale) properties like geological age, lithology, depth, organically rich thickness, TOC, thermal maturity, porosity, permeability, clay content, quartz content, Kerogen type, Hydrocarbon window etc. has been done. And then the detailed comparison of Indian shale with USA shale will be discussed. This study investigates qualitative and quantitative nature of potential shale basins which will be helpful from exploration and exploitation point of view.

Keywords: shale, shale gas, energy source, lithology

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Authors: Sarah Akhtar, Rizwan Mahmood

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A detailed study of homogeneous alignment of liquid crystal molecules on a glass substrate will be presented. Thin films of polyimide were coated on several glass substrates. Various methods were employed to prepare coated surfaces to achieve desired alignment; these include traditionally rubbing the surface with a felt cloth then exposing them perpendicular to the easy axis with incandescent light (IL), linearly polarized ultraviolet (LPUVR) and un-polarized ultraviolet (UPUVR) radiation. The quality of the alignment was tested by measuring the tilt angle in the temperature range between 30°C to 55°C. Regression analysis of the data using ‘SigmaPlot’ suggests a gradual increase in tilt angle (1.1°-1.8°) for the rubbed, 0.6° to 3.6° increase for the rubbed plus IL radiated and 1.6° to 4.6° for the rubbed plus UPUVL radiated samples, respectively. However to our surprise, we found tilt angle to be decreasing from 2.4° to 1.6° for the rubbed plus LPUVL radiated samples. We hope that these findings will be helpful in the fabrication of display panels and other electro-optic devices.

Keywords: homogeneous, liquid crystals, polyimide, tilt angle

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Authors: Jiaxu Huang

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The melt carbonized blast furnace slag containing TiC was produced by carbothermal reduction of high titanium blast furnace slag. The treatment technology of melt carbonized blast furnace slag with TiC as raw material was studied, including the influence of different cooling methods, crushing atmosphere and sieving particle size on the target product TiC in the slag. The results show that air-cooling and water-cooling have little effect on TiC content of molten carbide blast furnace slag, and have great effect on crystal structure and grain size. TiC content in slag is different when carbide blast furnace slag is crushed in argon atmosphere and air atmosphere. After screening, the difference of TiC content of carbide blast furnace slag with different particle size distribution is obvious. The average TiC content of 100-400 mesh carbide blast furnace slag is 14%. And the average TiC content of carbide blast furnace slag with particle size less than 400 mesh is 10.5%.

Keywords: crushing atmosphere, cooling methods, sieving particle size, TiC

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Authors: Eun Ju Park, Wendy Rusli, He Tao, Alexander M. Van Herk, Sanggu Kim

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Hollow micro-/nano- structured materials have proven to be promising in wide range of applications, such as catalysis, drug delivery and controlled release, biotechnology, and personal and consumer care. Hollow sphere structures can be obtained through various templating approaches; colloid templates, emulsion templates, multi-surfactant templates, and single crystal templates. Vesicles are generally the self-directed assemblies of amphiphilic molecules including cationic, anionic, and cationic surfactants in aqueous solutions. The directed silica capsule formations were performed at the surface of dioctadecyldimethylammoniumbromide(DODAB) bilayer vesicles as soft template. The size of DODAB bilayer vesicles could be tuned by extrusion of a preheated dispersion of DODAB. The synthesized hollow silica particles were characterized by conventional TEM, cryo-TEM and SEM to determine the morphology and structure of particles and dynamic light scattering (DLS) method to measure the particle size and particle size distribution.

Keywords: characterization, DODAB, hollow silica particle, synthesis, vesicle

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Authors: Naresh Kumar, Radhika Sharma, A. K. Singh

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Acid plutonic rocks from the Khanak and Devsar areas of southwestern Haryana were investigated to understand their geochemical and petrogenetic characteristics and tectonic environments. Three dominant rock types (grey, grayish green and pink granites) are the principal geochemical features of Khanak and Devsar areas which reflect the dependencies of their composition on varied geological environment during the anorogenic magmatism. These rocks are enriched in SiO₂, Na₂O+K₂O, Fe/Mg, Rb, Zr, Y, Th, U, REE (Rare Earth Elements) enriched and depleted in MgO, CaO, Sr, P, Ti, Ni, Cr, V and Eu and exhibit a clear affinity to the within-plate granites that were emplaced in an extensional tectonic environment. Chondrite-normalized REE patterns show enriched LREE (Light Rare Earth Elements), moderate to strong negative Eu anomalies and flat heavy REE and grey and grayish green is different from pink granite which is enriched by Rb, Ga, Nb, Th, U, Y and HREE (Heavy Rare Earth Elements) concentrations. The composition of parental magma of both areas corresponds to mafic source contaminated with crustal materials. Petrogenetic modelling suggest that the acid plutonic rocks might have been generated from a basaltic source by partial melting (15-25%) leaving a residue with 35% plagioclase, 25% alkali feldspar, 25% quartz, 7% orthopyroxene, 5% biotite and 3% hornblende. Granites from both areas might be formed from different sources with different degree of melting for grey, grayish green and pink granites.

Keywords: A-type granite, anorogenic, Malani igneous suite, Khanak and Devsar

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Authors: James S. Kwame, E. Yakushina, P. Blackwell

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The challenges in forming titanium alloys at room temperature are well researched and are linked both to the limitations imposed by the basic crystal structure and their ability to form texture during plastic deformation. One major issue of concern for the sheet forming of titanium alloys is their high sensitivity to surface inhomogeneity. Various machining processes are utilised in preparing sheet hole edges for edge flanging applications. However, the response of edge forming tendencies of titanium to different edge surface finishes is not well investigated. The hole expansion test is used in this project to elucidate the impact of abrasive water jet (AWJ) and electro-discharge machining (EDM) cutting techniques on the edge formability of CP-Ti (Grade 2) and Ti-3Al-2.5V alloys at room temperature. The results show that the quality of the edge surface finish has a major effect on the edge formability of the materials. The work also found that the variations in the edge forming performance are mainly the result of the influence of machining induced edge surface defects.

Keywords: titanium alloys, hole expansion test, edge formability, non-conventional machining

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Authors: Mahdi Almaky

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Conducting polymer of N-(3-pyrrol-1-yl-propyl)-2,2`-bipyridinium hexafluoro-phosphate (PPBH) was prepared via chemical and electrochemical polymerization methods. The bulk polymer showed conductivity in the order of 10-12 S cm-1. DNA-templated polymer nano wires of PPBH (PolyPPBH-DNA) have been chemically prepared then used as templates to direct the formation of metal nanowires (Cu) in order to enhance the electrical properties of the polymer/DNA wires. The chemical structures, morphology and the electrical characterisation of the as obtained structures have been characterized through spectroscopic (FTIR, UV-vis and XPS), single-crystal X-ray diffraction and microscopic (AFM, EFM and c-AFM) techniques. The morphology of the nanomaterials has been observed by AFM; showing the nanowires are uniform and continuous. The polymer conductivity was slightly improved after metallization. The conductivity of Cu-PolyPPBH-DNA nanowires was estimated to be 7.1x10-2 S cm-1. This conductivity is slightly higher than the conductivity of PolyPPBH-DNA nano wires (2.0 x 10-2 S cm-1), but it is lower than the measurements for PPy/DNA nano wires (2.1 x 10-1 S cm-1) prepared and measured by using c-AFM probe. These results reflect the large effect of the chemical structure (N-substitution) on the electrical properties of these polymers by reducing the extended conjugation.

Keywords: DNA, template, nano wires, N-Alkylatedpyrrole, copper

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Authors: Igor B. Sivaev

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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: A. Chouaih, N. Benhalima, N. Boukabcha, R. Rahmani, F. Hamzaoui

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Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound.

Keywords: organic compounds, polarizability, hyperpolarizability, dipole moment

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Authors: Mohammad Javad Shariatzadeh, Dana Grecov

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The tribological tests were performed on a new tribometer, in order to measure the coefficient of friction of a gland seal packing material on stainless steel shafts in presence of Cellulose Nanocrystal (CNC) suspension as a sustainable, environmentally friendly, water-based lubricant. To simulate the real situation from the slurry pumps, silica sands were used as slurry particles. The surface profiles after tests were measured by interferometer microscope to characterize the surface wear. Moreover, the coefficient of friction and surface wear were measured between stainless steel shaft and chrome steel ball to investigate the tribological effects of CNC in boundary lubrication region. Alignment of nanoparticles in the CNC suspensions are the main reason for friction and wear reduction. The homogeneous concentrated suspensions showed fingerprint patterns of a chiral nematic liquid crystal. These properties made CNC a very good lubricant additive in water.

Keywords: gland seal, lubricant additives, nanocrystalline cellulose, water-based lubricants

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Authors: Gauthier Lefevre, Holger Kohlmann, Sebastien Saitzek, Rachel Desfeux, Adlane Sayede

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Hydrogen is a promising energy carrier, compatible with the sustainable energy concept. In this context, solid-state hydrogen-storage is the key challenge in developing hydrogen economy. The capability of absorption of large quantities of hydrogen makes intermetallic systems of particular interest. In this study, efforts have been devoted to the theoretical investigation of binary systems with constraints consideration. On the one hand, besides considering hydrogen-storage, a reinvestigation of crystal structures of the palladium-arsenic system shows, with experimental validations, that binary systems could still currently present new or unknown relevant structures. On the other hand, various binary Mg-based systems were theoretically scrutinized in order to find new interesting alloys for hydrogen storage. Taking the effect of pressure into account reveals a wide range of alternative structures, changing radically the stable compounds of studied binary systems. Similar constraints, induced by Pulsed Laser Deposition, have been applied to binary systems, and results are presented.

Keywords: binary systems, evolutionary algorithm, first principles study, pulsed laser deposition

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Authors: E. A. Asabina, V. I. Pet'kov, P. A. Mayorov, A. V. Markin, N. N. Smirnova, A. M. Kovalskii, A. A. Usenko

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The purpose of this work was to synthesize and investigate phase formation, structure and thermophysical properties of the phosphates M_0.5+xM'_xZr_2–x(PO₄)₃ (M – Cd, Sr, Pb; M' – Mg, Co, Mn). The compounds were synthesized by sol-gel method. The results showed formation of limited solid solutions of NZP/NASICON type. The crystal structures of triple phosphates of the compositions MMg_0.5Zr_1.5(PO₄)₃ were refined by the Rietveld method using XRD data. Heat capacity (8–660 K) of the phosphates Pb_0.5+xMg_xZr_2-x(PO₄)₃ (x = 0, 0.5) was measured, and reversible polymorphic transitions were found at temperatures, close to the room temperature. The results of Rietveld structure refinement showed the polymorphism caused by disordering of lead cations in the cavities of NZP/NASICON structure. Thermal expansion (298−1073 K) of the phosphates MMg_0.5Zr_1.5(PO₄)₃ was studied by XRD method, and the compounds were found to belong to middle and low-expanding materials. Thermal diffusivity (298–573 K) of the ceramic samples of phosphates slightly decreased with temperature increasing. As was demonstrated, the studied phosphates are characterized by the better thermophysical characteristics than widespread fire-resistant materials, such as zirconia and etc.

Keywords: NASICON, NZP, phosphate, structure, synthesis, thermophysical properties

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Authors: C. C. Chen, C. W. Hun, C. J. Wang, C. Y. Chen, J. S. Lin, K. J. Huang

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Cesium iodide (CsI) melt was injected into anodic aluminum oxide (AAO) template and was solidified to CsI column. The controllable AAO channel size (10~500 nm) can makes CsI column size from 10 to500 nm in diameter. In order to have a shorter light irradiate from each singe CsI column top to bottom the AAO template was coated a TiO2 nano-film. The TiO2 film acts a refraction film and makes X-ray has a shorter irradiation path in the CsI crystal making a stronger the photo-electron signal. When the incidence light irradiate from air (R=1.0) to CsI’s first surface (R=1.84) the first refraction happen, the first refraction continue into TiO2 film (R=2.88) and produces the low angle of the second refraction. Then the second refraction continue into AAO wall (R=1.78) and produces the third refraction after refractions between CsI and AAO wall (R=1.78) produce the fourth refraction. The incidence light after through CsI and TiO2 film refractions arrive to the CsI second surface. Therefore, the TiO2 film can has shorter refraction path of incidence light and increase the photo-electron conversion efficiency.

Keywords: cesium iodide, anodic aluminum oxide (AAO), TiO2, refraction, X-ray

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Authors: Jay P. Sipani, Riki H. Patel, Trushit Upadhyaya

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Today there is a demand to monitor environmental factors almost in all research institutes and industries and even for domestic uses. The analog data measurement requires manual effort to note readings, and there may be a possibility of human error. Such type of systems fails to provide and store precise values of parameters with high accuracy. Analog systems are having drawback of storage/memory. Therefore, there is a requirement of a smart system which is fully automated, accurate and capable enough to monitor all the environmental parameters with utmost possible accuracy. Besides, it should be cost-effective as well as portable too. This paper represents the Wireless Sensor (WS) data communication using DHT11, Arduino, SIM900A GSM module, a mobile device and Liquid Crystal Display (LCD). Experimental setup includes the heating arrangement of DHT11 and transmission of its data using Arduino and SIM900A GSM shield. The mobile device receives the data using Arduino, GSM shield and displays it on LCD too. Heating arrangement is used to heat and cool the temperature sensor to study its characteristics.

Keywords: wireless communication, Arduino, DHT11, LCD, SIM900A GSM module, mobile phone SMS

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Authors: Sean T. S. Wei, Joy D. Van Nostrand, Annapoorna Maitrayee Ganeshram, Stephen B. Pointing

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McMurdo Dry Valleys are a largely ice-free polar desert protected by international treaty as an Antarctic special managed area. The terrestrial landscape is dominated by oligotrophic mineral soil with extensive rocky outcrops. Several environmental stresses: low temperature, lack of liquid water, UV exposure and oligotrophic substrates, restrict the major biotic component to microorganisms. The bacterial diversity and the putative physiological capacity of microbial communities of quartz rocks (hypoliths) and soil of a maritime-influenced Dry Valleys were interrogated by two metagenomic approaches: 454 pyro-sequencing and Geochp DNA microarray. The most abundant phylum in hypoliths was Cyanobacteria (46%), whereas in solils Actinobacteria (31%) were most abundant. The Proteobacteria and Bacteriodetes were the only other phyla to comprise >10% of both communities. Carbon fixation was indicated by photoautotrophic and chemoautotrophic pathways for both hypolith and soil communities. The fungi accounted for polymer carbon transformations, particularly for aromatic compounds. The complete nitrogen cycling was observed in both communities. The fungi in particular displayed pathways related to ammonification. Environmental stress response pathways were common among bacteria, whereas the nutrient stress response pathways were more widely present in bacteria, archaea and fungi. The diversity of bacterialphage was also surveyed by Geochip. Data suggested that different substrates supported different viral families: Leviviridae, Myoviridae, Podoviridae and Siphoviridiae were ubiquitous. However, Corticoviridae and Microviridae only occurred in wetter soils.

Keywords: Antarctica, hypolith, soil, dry valleys, geochip, functional diversity, stress response

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Authors: J. Ticona Chambi, E. A. De Almeida, C. A. Andrade Raymundo Gaiotto, A. M. Do Espírito Santo, L. Infantes, S. L. Cuffini

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The solubility of active pharmaceutical ingredients (APIs) is challenging for the pharmaceutical industry. The new multicomponent crystalline forms as cocrystal and solvates present an opportunity to improve the solubility of APIs. Commonly, the procedure to obtain multicomponent crystalline forms of a drug starts by screening the drug molecule with the different coformers/solvents. However, it is necessary to develop methods to obtain multicomponent forms in an efficient way and with the least possible environmental impact. The Hansen Solubility Parameters (HSPs) is considered a tool to obtain theoretical knowledge of the solubility of the target compound in the chosen solvent. H-Bond Propensity (HBP), Molecular Complementarity (MC), Coordination Values (CV) are tools used for statistical prediction of cocrystals developed by the Cambridge Crystallographic Data Center (CCDC). The HSPs and the CCDC tools are based on inter- and intra-molecular interactions. The curcumin (Cur), target molecule, is commonly used as an anti‐inflammatory. The demethoxycurcumin (Demcur) and bisdemethoxycurcumin (Bisdcur) are natural analogues of Cur from turmeric. Those target molecules have differences in their solubilities. In this way, the work aimed to analyze and compare different tools for multicomponent forms prediction (solvates) of Cur, Demcur and Biscur. The HSP values were calculated for Cur, Demcur, and Biscur using the chemical group contribution methods and the statistical optimization from experimental data. The HSPmol software was used. From the HSPs of the target molecules and fifty solvents (listed in the HSP books), the relative energy difference (RED) was determined. The probability of the target molecules would be interacting with the solvent molecule was determined using the CCDC tools. A dataset of fifty molecules of different organic solvents was ranked for each prediction method and by a consensus ranking of different combinations: HSP, CV, HBP and MC values. Based on the prediction, 15 solvents were selected as Dimethyl Sulfoxide (DMSO), Tetrahydrofuran (THF), Acetonitrile (ACN), 1,4-Dioxane (DOX) and others. In a starting analysis, the slow evaporation technique from 50°C at room temperature and 4°C was used to obtain solvates. The single crystals were collected by using a Bruker D8 Venture diffractometer, detector Photon100. The data processing and crystal structure determination were performed using APEX3 and Olex2-1.5 software. According to the results, the HSPs (theoretical and optimized) and the Hansen solubility sphere for Cur, Demcur and Biscur were obtained. With respect to prediction analyses, a way to evaluate the predicting method was through the ranking and the consensus ranking position of solvates already reported in the literature. It was observed that the combination of HSP-CV obtained the best results when compared to the other methods. Furthermore, as a result of solvent selected, six new solvates, Cur-DOX, Cur-DMSO, Bicur-DOX, Bircur-THF, Demcur-DOX, Demcur-ACN and a new Biscur hydrate, were obtained. Crystal structures were determined for Cur-DOX, Biscur-DOX, Demcur-DOX and Bicur-Water. Moreover, the unit-cell parameter information for Cur-DMSO, Biscur-THF and Demcur-ACN were obtained. The preliminary results showed that the prediction method is showing a promising strategy to evaluate the possibility of forming multicomponent. It is currently working on obtaining multicomponent single crystals.

Keywords: curcumin, HSPs, prediction, solvates, solubility

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Authors: Darn H. Hsiao, Zhu-Yun Zheng

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Since Taiwan is located between the Eurasian and Filipino plates and earthquakes often thus occur. The coastal plains in western Taiwan are alluvial plains, and the soils of the alluvium are mostly from the Lao-Shan belt in the central mountainous area of ​​southern Taiwan. It could come mostly from sand/shale and slate. The previous investigation found that the soils in the Kaohsiung area of ​​southern Taiwan are mainly composed of slate, shale, quartz, low-plastic clay, silt, silty sand and so on. It can also be found from the past earthquakes that the soil in Kaohsiung is highly susceptible to soil subsidence due to liquefaction. Insufficient bearing capacity of building will cause soil liquefaction disasters. In this study, the boring drilling data from nine districts among the Love River Basin in the city center, and some factors affecting liquefaction include the content of fines (FC), standard penetration test N value (SPT N), the thickness of clay layer near ground-surface, and the thickness of possible liquefied soil were further discussed for liquefaction potential as well as groundwater level. The results show that the liquefaction potential is higher in the areas near the riverside, the backfill area, and the west area of ​​the study area. This paper also uses the old paleo-geological map, soil particle distribution curve, compared with LPI map calculated from the analysis results. After all the parameters finally were studied for five sub zones in the Love River Basin by maximum-minimum method, it is found that both of standard penetration test N value and the thickness of the clay layer will be most influential.

Keywords: liquefaction, western Taiwan, liquefaction potential map, high liquefaction potential areas

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Authors: Nouri Sabrina, Benzeghiba Mohamed, Ghezal Abderrahmane

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Numerical parametric study is conducted to study the effects of ampoule rotation on the flows and the dopant segregation in vertical Bridgman (VB) crystal growth. Calculations were performed in unsteady state. The extended Darcy model, which includes the time derivative and Coriolis terms, has been employed in the momentum equation. It was found that the convection, and dopant segregation can be affected significantly by ampoule rotation, and the effect is similar to that by an axial magnetic field. Ampoule rotation decreases the intensity of convection and stretches the flow cell axially. When the convection is weak, the flow can be suppressed almost completely by moderate ampoule rotation and the dopant segregation becomes diffusion-controlled. For stronger convection, the elongated flow cell by ampoule rotation may bring dopant mixing into the bulk melt reducing axial segregation at the early stage of the growth. However, if the cellular flow cannot be suppressed completely, ampoule rotation may induce larger radial segregation due to poor mixing.

Keywords: numerical simulation, heat and mass transfer, vertical solidification, chemical segregation

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Authors: Guankai Lin, Wei Tong, Hong Zhu

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The electric current induced Joule heating effects have been investigated in La₀.₈Ba₀.₂MnO₃ ultrathin films deposited on LaAlO₃(001) single crystal substrate with smaller lattice constant by using the sol-gel method. By applying moderate bias currents (~ 10 mA), it is found that Joule self-heating simply gives rise to a temperature deviation between the thermostat and the test sample, but the intrinsic ρ(T) relationship measured at a low current (0.1 mA) changes little. However, it is noteworthy that the low-temperature transport behavior degrades from metallic to insulating state after applying higher bias currents ( > 31 mA) in a vacuum. Furthermore, metallic transport can be recovered by placing the degraded film in air. The results clearly suggest that the oxygen vacancy in the La₀.₈Ba₀.₂MnO₃ films is controllable in different atmospheres, particularly with the aid of the Joule self-heating. According to the SEM images, we attribute the controlled oxygen vacancy to the nano-sized labyrinth pattern of the films, where the large surface-to-volume ratio plays a curial role.

Keywords: controlling oxygen vacancy, joule self-heating, manganite, sol-gel method

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Authors: Gulcan Sahal, Isil Seyis Bilkay

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Candida species which often exist as commensal microorganisms in healthy individuals are major causes of important infections, especially in AIDS and immunocompromised patients, by means of their biofilm formation abilities. Therefore, in this study, determination of biofilm formation in different clinical strains of Candida species, investigation of strong biofilm forming Candida strains, examination of clinical information of each strong and weak biofilm forming Candida strains and investigation of some plant substances’ effects on biofilm formation of strong biofilm forming strains were aimed. In this respect, biofilm formation of Candida strains was analyzed via crystal violet binding assay. According to our results, biofilm levels of strains belong to different Candida species were different from each other. Additionally, it is also found that some plant substances effect biofilm formation. All these results indicate that, as well as C. albicans strains, other non-albicans Candida species also emerge as causative agents of infections and have biofilm formation abilities. In addition, usage of some plant substances in different concentrations may provide a new treatment against biofilm related Candida infections.

Keywords: anti-biofilm, biofilm formation, Candida species, biosystems engineering

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Authors: Fatima Melit, Nedjemeddine Bounar

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Polycrystalline samples of Ce1-xMxO2-δ (x=0.1, 0.15, 0.2)(M=Gd, Y) were prepared by solid-state chemical reaction from mixtures of pre-dried oxides powders of CeO2, Gd2O3 and Y2O3 in the appropriate stoichiometric ratio to explore their use as solid electrolytes for intermediate temperature solid oxide fuel cells (IT-SOFCs). Their crystal structures and ionic conductivities were characterised by X-ray powder diffraction (XRD) and AC complex impedance spectroscopy (EIS). The XRD analyses confirm that all the resulting synthesised co-doped cerium oxide powders are single-phase and crystallise in the cubic structure system with the space group Fm3m. On the one hand, the lattice parameter (a ) of the phases increases with increasing Gd content; on the other hand, with increasing Y-substitution rate, the latter decreases. The results of complex impedance conductivity measurements have shown that doping has a remarkable effect on conductivity. The co-doped cerium phases showed significant ionic conductivity values, making these materials excellent candidates for solid oxide electrolytes at intermediate temperatures.

Keywords: electrolyte, Ceria, X-ray diffraction, EIS, SEM, SOFC

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Authors: Yu-Kuei Hsu, Ying-Chu Chen, Yan-Gu Lin

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The hierarchical Cu2S nano structural film is successfully fabricated via an electroplated ZnO nanorod array as a template and subsequently chemical solution process for the growth of Cu2S in the application of surface-enhanced Raman scattering (SERS) detection. The as-grown Cu2S nano structures were thermally treated at temperature of 150-300 oC under nitrogen atmosphere to improve the crystal quality and unexpectedly induce the Cu nano particles on surface of Cu2S. The structure and composition of thermally treated Cu2S nano structures were carefully analyzed by SEM, XRD, XPS, and XAS. Using 4-aminothiophenol (4-ATP) as probing molecules, the SERS experiments showed that the thermally treated Cu2S nano structures exhibit excellent detecting performance, which could be used as active and cost-effective SERS substrate for ultra sensitive detecting. Additionally, this novel hierarchical SERS substrates show good reproducibility and a linear dependence between analyte concentrations and intensities, revealing the advantage of this method for easily scale-up production.

Keywords: cuprous sulfide, copper, nanostructures, surface-enhanced raman scattering

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Authors: Nouri Sabrina

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Numerical parametric study is conducted to study the effects of ampoule rotation on the flows and the dopant segregation in Vertical Bridgman (VB) crystal growth. Calculations were performed in unsteady state. The extended darcy model, whıch includes the time derivative and coriolis terms, has been employed in the momentum equation. It is found that the convection, and dopant segregation can be affected significantly by ampoule rotation, and the effect is similar to that by an axial magnetıc field. Ampoule rotation decreases the intensity of convection and stretches the flow cell axıally. When the convectıon is weak, the flow can be suppressed almost completely by moderate ampoule rotation and the dopant segregation becomes diffusion-controlled. For stronger convection, the elongated flow cell by ampoule rotation may bring dopant mixing into the bulk melt reducing axial segregation at the early stage of the growth. However, if the cellular flow cannot be suppressed completely, ampoule rotation may induce larger radial segregation due to poor mixing.

Keywords: rotating vertical solidification, Finite Volume Method, heat and mass transfer, porous medium, phase change

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Authors: Arturo Reyes Roman, Daniza Castillo Godoy, Francisca Balarezo Olivares, Francisco Arriagada Castro, Miguel Maulen Tapia

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Mining waste–based geopolymers are a sustainable alternative to conventional cement materials due to their contribution to the valorization of mining wastes as well as to the new construction materials with reduced fingerprints. The objective of this study was to determine the potential of leaching gravel (LG) from hydrometallurgical copper processing to be used as a raw material in the manufacture of geopolymer. NaOH, Na2SiO3 (modulus 1.5), and LG were mixed and then wetted with an appropriate amount of tap water, then stirred until a homogenous paste was obtained. A liquid/solid ratio of 0.3 was used for preparing mixtures. The paste was then cast in cubic moulds of 50 mm for the determination of compressive strengths. The samples were left to dry for 24h at room temperature, then unmoulded before analysis after 28 days of curing time. The compressive test was conducted in a compression machine (15/300 kN). According to the laser diffraction spectroscopy (LDS) analysis, 90% of LG particles were below 500 μm. The X-ray diffraction (XRD) analysis identified crystalline phases of albite (30 %), Quartz (16%), Anorthite (16 %), and Phillipsite (14%). The X-ray fluorescence (XRF) determinations showed mainly 55% of SiO2, 13 % of Al2O3, and 9% of CaO. ICP (OES) concentrations of Fe, Ca, Cu, Al, As, V, Zn, Mo, and Ni were 49.545; 24.735; 6.172; 14.152, 239,5; 129,6; 41,1;15,1, and 13,1 mg kg-1, respectively. The geopolymer samples showed resistance ranging between 2 and 10 MPa. In comparison with the raw material composition, the amorphous percentage of materials in the geopolymer was 35 %, whereas the crystalline percentage of main mineral phases decreased. Further studies are needed to find the optimal combinations of materials to produce a more resistant and environmentally safe geopolymer. Particularly are necessary compressive resistance higher than 15 MPa are necessary to be used as construction unit such as bricks.

Keywords: mining waste, geopolymer, construction material, alkaline activation

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Authors: Almas Rajguru

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The Oligocene succession of the Tapti- Daman area is one of the established petroleum plays in Tapti-Daman block of the Mumbai Offshore Basin. Despite good control and production history, the sand geometry and continuity of reservoir character of these sediments are less understood as most reservoirs are thin and fall below seismic resolution. The present work focuses on a detailed analysis of the Early Oligocene Mahuva Formation at the reservoir scale through laboratory studies (sedimentology and biostratigraphy) of core and sidewall cores in integration with electro logs for firming up facies’ distribution, micro-depositional environment and sequence stratigraphy, diagenesis and reservoir characterization from seventeen wells from North Tapti-C-37 area in Tapti Daman Block, WOB. The thick shale/claystone with thin interbeds of sandstone and siltstones of deeper marine in the lower part of Mahuva Fm represents deposition in a transgressive regime. The overlying interbedded sandstone, glauconitic-siltstone/fine-grained sandstone, and thin beds of packstone/grainstone within highly fissile shale were deposited in a prograding tide-dominated delta during late-rise normal regression. Nine litho facies (F1-F9) representing deposition in various microenvironments of the tide-dominated delta are identified based on their characteristic sediment texture, structure and microfacies. Massive, gritty sandstone (F1) with poorly sorted sands lithic fragments with calcareous and Fe-rich matrix represents channel fill sediments. High-angle cross-stratified sandstone (F2) deposited in rapidly shifting/migrating bars under strong tidal currents. F3 records the laterally accreted tidal-channel point bars. F3 (low-angle cross-stratified to parallel bedded sandstone) and F4 (Clean sandstone) are often associated with F2 in a tidal bar complex. F5 (interbedded thin sand and mud) and F6 (bioturbated sandstone) represent tidal flat deposits. High energy open marine carbonate shoals (F8) and fossiliferous sandstone in offshore bars (F7) represent deepening up facies. Shallow marine standstill conditions facilitated the deposition of thick shale (F9) beds. The reservoir facies (F1-F6) are commonly poorly to moderately sorted; bimodal, immature sandstone represented by quartz-wacke. The framework grains are sub-angular to sub-rounded, medium to coarse-grained (occasionally gritty) embedded within argillaceous (kaolinite/chlorite/chamosite) to highly Fe-rich matrix (sideritic). The facies F7 and F8, representing the sandy packstone and grainstone facies, respectively, exhibit poor reservoir characteristics due to sanitization, diagenetic compaction and matrix-filled intergranular spaces. The various diagenetic features such as the presence of authigenic clays (kaolinite/dickite/smectite); ferruginous minerals like siderite, pyrite, hematite and other iron oxides; bioturbations; glauconite; calcite and quartz cementation, precipitation of gypsum, pressure solution and other compaction effects are identified. These diagenetic features, wherever present, have reduced porosity and permeability thereby adversely affecting reservoir quality. Tidal bar sandstones possess good reservoir characteristics such as moderate to good sorting, fair to good porosity and geometry that facilitates efficient lateral extension and vertical thickness of reservoir. The sand bodies of F2, F3 and F4 facies of Well L, M and Q deposited in a tidal bar complex exhibit good reservoir quality represented by relatively cleaner, poorly burrowed, loose, friable sandstone with good porosity. Sandstone facies around these wells could prove a potential hydrocarbon reservoir and could be considered for further exploration.

Keywords: reservoir sedimentology, facies analysis, HST, tide dominated delta, tidal bars

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Authors: Athena Pedro, Carushca de Beer, Erin Cupido, Tarryn Johnson, Tawana Keneilwe, Crystal Stoffels, Carinne Annfred Lorraine Petersen, Kuan Michael Truskey

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The early experiences of children during their first 1000 days of life are the main determining factor of their development. Therefore, the aim of this study was to explore mothers' understanding of an attachment bond and the role that it plays in early childhood. A qualitative exploratory research design guided this study. Ethics approval was granted by appropriate ethics committees. Data were gathered through the use of semi-structured interviews with 15 participants within the Cape Town area, South Africa. Participants completed informed consents and were informed of confidentiality, anonymity, their rights, and voluntary participation. Thematically analysed data revealed that many participants were unaware of the term ‘the first 1000 days of a child’s life’; however, they were aware of the methods to be used for forming an attachment bond with their children. There is a need for more awareness on the subject matter within South Africa.

Keywords: awareness, children, first 1000 days, milestones, South Africa, understanding

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Authors: Hong Zhang

Abstract:

Photocatalytic degradation is an appealing process to remove organic contaminants from industrial wastewater, but usually impeded by less effective photocatalysts. Here, we successfully synthesized Ag doped La₂Ti₂O₇ via a simple sol-gel route for photocatalytic methyl orange (MO) degradation. Their crystal structures, morphology, surface area and optical absorption activity were systematically characterized by X-ray diffraction, scanning electron microscope, BET N₂ adsorption-desorption study, and UV-vis diffuse reflectance spectra. The photocatalytic activity was evaluated by MO photodegradation under a 300 W xenon lamp. The results indicate that the doping of Ag has effectively narrowed the band gap, increased the specific area of La2Ti2O7, and supressed the recombination of photogenerated carriers. Compared with the pristine La₂Ti₂O₇, La₁.₉Ag₀.₁Ti₂O₇-δ revealed a superior performance for MO degradation with a degradation rate of 97% in only 60 min. Also, the pseudo-first order kinetic constant for La₁.₉Ag₀.₁Ti₂O₇-δ is ~ 11 times higher than that of undoped sample. The outstanding performance of Ag modified La₂Ti₂O₇ is probably attributed to the integrated factors. Active species trapping experiments indicated that h+ plays a critical role in MO degradation, while •O₂− has slight effect on the photocatalytic activity and the function of •OH can almost be neglected.

Keywords: Ag doped La₂Ti₂O₇, methyl orange, photodegradation, surface plasmon resonance

Procedia PDF Downloads 107