Search results for: spherical crystallization

Authors: Luguang Qi, Chuang Xie

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In recent years, there has been an increase in the number of reports on cocrystal polymorphism and stoichiomorphism. However, the research on the factors that influence these phenomena is limited. Herein, picolinamide (PAM), nicotinamide (NAM), and isonicotinamide (INA) were selected as co-formers to form multicomponent solids with 4-chloro-3-sulfamoylbenzoic acid (CSBA). Six new cocrystal forms of CSBA were discovered, and their crystal structures were determined. It was found that PAM and NAM can only form one cocrystal with CSBA, while INA can form up to four cocrystals, including both cocrystal polymorphism and stoichiomorphism. Molecular electrostatic potential analysis and crystal structure analysis showed that the functional group position of PAM limited the diversity of cocrystal synthons, while the lattice energy limited the diversity of cocrystal synthons when NAM acted as a co-former. Only INA was not subject to these restrictions when forming cocrystals. Finally, the influence of solvents on cocrystals was illustrated by determining the ternary phase diagrams. The mechanism of two similar solvents, ethyl acetate, and acetone, controlling the crystallization of cocrystal polymorphism was analyzed by molecular simulations.

Keywords: cocrystal polymorphism, cocrystal stoichiomorphism, phase diagram, molecular simulation

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Authors: M. Abdelmalek

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In this work, we study the hypersurfaces of constant weighted mean curvature embedded in weighted manifolds. We give a condition about these hypersurfaces to be minimal. This condition is given by the ellipticity of the weighted Newton transformations. We especially prove that two compact hypersurfaces of constant weighted mean curvature embedded in space forms and with the intersection in at least a point of the boundary must be transverse. The method is based on the calculus of the matrix of the second fundamental form in a boundary point and then the matrix associated with the Newton transformations. By equality, we find the weighted elementary symmetric function on the boundary of the hypersurface. We give in the end some examples and applications. Especially in Euclidean space, we use the above result to prove the Alexandrov spherical caps conjecture for the weighted case.

Keywords: weighted mean curvature, weighted manifolds, ellipticity, Newton transformations

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Authors: Ayoti Banerjee, Meenakshi Banerjee

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The study of metamorphic reaction textures is important in contributing to our understanding of the evolution of metamorphic terranes. Where preserved, they provide information on changes in the P-T conditions during the metamorphic history of the rock, and thus allow us to speculate on the P-T-t evolution of the terrane. Mafic dykes have attracted the attention of petrologists because they act as window to mantle. This rock represents a mafic dyke of doleritic composition. It is fine to medium grained in which clinopyroxene are enclosed by the lath shaped plagioclase grains to form spectacular ophitic texture. At places, sub ophitic texture was also observed. Grains of pyroxene and plagioclase show very less deformation typically plagioclase showing deformed lamella along with plagioclase-clinopyroxene-phyric granoblastic fabric within a groundmass of feldspar microphenocrysts and Fe–Ti oxides. Both normal and reverse zoning were noted in the plagioclase laths. The clinopyroxene grains contain exsolved phases such as orthopyroxene, plagioclase, magnetite, ilmenite along the cleavage traces and the orthopyroxene lamella form granules in the periphery of the clinopyroxene grains. Garnet corona also develops preferentially around plagioclase at the contact of clinopyroxene, ilmenite or magnetite. Tiny quartz and K-fs grains showed symplectic intergrowth with garnet at a few places. The product quartz formed along with garnet rims the coronal garnet and the reacting clinopyroxene. Thin amphibole corona formed along the periphery of deformed plagioclase and clinopyroxene occur as patches over the magmatic minerals. The amphibole coronas cannot be assigned to a late magmatic stage and are interpreted as reactive being restricted to the contact between clinopyroxene and plagioclase, thus postdating the crystallization of both. The amphibole and garnet do not share grain boundary in the entire rock and is thus pointing towards simultaneous crystallization. Olivine is absent. Spectacular myrmekitic growth of orthoclase and quartz rimming the plagioclase is consistent with the potash metasomatic effects that is also found in other rocks of this region. These textural features are consistent with a phase of fluid induced metamorphism (retrogression). But the appearance of coronal garnet and amphibole exclusive of each other reflects the participation if Ti as the prime reason. Presence of Ti as a reactant phase is a must for amphibole forming reactions whereas it is not so in case of garnet forming reactions although the reactants are the same plagioclase and clinopyroxene in both cases. These findings are well validated by petrographical and textural analysis. In order to obtain balanced chemical reactions that explain formation of amphibole and garnet in the mafic dyke rocks a matrix operation technique called Singular Value Decomposition (SVD) was adopted utilizing the measured chemical compositions of the minerals. The computer program C-Space was used for this purpose and the required compositional matrix. Data fed to C-Space was after doing cation-calculation of the oxide percentages obtained from EPMA analysis. The Garnet-Clinopyroxene geothermometer yielded a temperature of 650 degrees Celsius. The Garnet-Clinopyroxene-Plagioclase geobarometer and Al-in amphibole yielded roughly 7.5 kbar pressure.

Keywords: corona, dolerite, geothermometer, metasomatism, metamorphic reaction texture, retrogression

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Authors: I. Grigoraviciute-Puroniene, K. Tsuru, E. Garskaite, Z. Stankeviciute, A. Beganskiene, K. Ishikawa, A. Kareiva

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Tricalcium phosphate (β-Ca₃(PO₄)₂, β-TCP) powders were synthesized using wet polymeric precipitation method for the first time to our best knowledge. The results of X-ray diffraction analysis showed the formation of almost single a Ca-deficient hydroxyapatite (CDHA) phase of a poor crystallinity already at room temperature. With continuously increasing the calcination temperature up to 800 °C, the crystalline β-TCP was obtained as the main phase. It was demonstrated that infrared spectroscopy is very effective method to characterize the formation of β-TCP. The SEM results showed that β-TCP solids were homogeneous having a small particle size distribution. The β-TCP powders consisted of spherical particles varying in size from 100 to 300 nm. Fabricated β-TCP specimens were placed to the bones of the rats and maintained for 1-2 months.

Keywords: Tricalcium phosphate (β-Ca3(PO4)2, bone regeneration, wet chemical processing, polymeric precipitation

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Authors: Maryam Rahimi, Maryam Moslehishad, Seyede Marzieh Hosseini

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In this study, preparation of spray dried Carum copticum essential oil (CCEO)-loaded microcapsules by maltodextrin and its blending with two other natural biodegradable polymers, gum Arabic (GA) or modified starch (MS) were investigated. Addition of these polymers to maltodextrin resulted in the encasement of encapsulation efficiency (EE). The highest EE (78.22±0.34%) and total phenolic (TP) content (83.86±1.72 mg GAE/100g) was related to MD-MS microcapsules. CCEO-loaded microcapsules showed spherical surface, good antioxidant and antimicrobial properties. In addition, sensory tests confirmed the possible application of CCEO-loaded microcapsules as natural food additives.

Keywords: carum copticum, essential oil, encapsulation, spray drying, sensory evaluation, antioxidants

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Authors: M. Fakhim Lamrani, M. Ouchri, M. Belaiche, El Kenz, M. Loulidi, A. Benyoussef

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Electronic and magnetic calculations based on density functional theory within the generalized gradient approximation for II-VI compound semiconductor TiO2 doped with single impurity Os and Mo; these compounds are a half metallic ferromagnet in their ground state with a total magnetic moment of 2 μB for both systems. Then, TiO2 doped with double impurities Os and Mo have been performed. As result, Ti1-2xOsxMoxO2 with x=0.065 is half-metallic antiferromagnets with 100% spin polarization of the conduction electrons crossing the Fermi level, without showing a net magnetization. Moreover, Ti14OsMoO32 compound is stable energetically than Ti1-xMoxO2 and Ti1-xOsxO2. The antiferromagnetic interaction in Ti1-2xOsxMoxO2 system is attributed to the double exchange mechanism, and the latter could also be the origin of their half metallic.

Keywords: diluted magnetic semiconductor, half-metallic antiferromagnetic, augmented spherical wave method

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Authors: Masood Hussain, Erol Pehlivan, Ahmet Avci, Ecem Guder

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Green synthesis of silver nanoparticles (AgNPs) was carried out by using echinacea flower extract as reducing/protecting agent. The effects of various operating parameters and additives on the dimensions such as stirring rate, temperature, pH of the solution, the amount of extract and concentration of silver nitrate were optimized in order to achieve monodispersed spherical and small size echinacea protected silver nanoparticles (echinacea-AgNPs) through biosynthetic method. The surface roughness and topography of synthesized metal nanoparticles were confirmed by using Atomic Force Microscopy (AFM). High-Resolution Transmission Electron Microscopic (HRTEM) results elaborated the formation of uniformly distributed Echinacea protected AgNPs (Echinacea-AgNPs) having an average size of 30.2±2nm.

Keywords: Echinacea flower extract, green synthesis, silver nanoparticles, morphology

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Authors: Hui-Ling Huang, Tamara Vasylenko, Phasit Charoenkwan, Shih-Hsiang Chiu, Shinn-Ying Ho

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The knowledge of the human transporters is still limited due to technically demanding procedure of crystallization for the structural characterization of transporters by spectroscopic methods. It is desirable to develop bioinformatics tools for effective analysis of available sequences in order to identify human transmembrane transporter proteins (HMTPs). This study proposes a scoring card method (SCM) based method for predicting HMTPs. We estimated a set of propensity scores of dipeptides to be HMTPs using SCM from the training dataset (HTS732) consisting of 366 HMTPs and 366 non-HMTPs. SCM using the estimated propensity scores of 20 amino acids and 400 dipeptides -as HMTPs, has a training accuracy of 87.63% and a test accuracy of 66.46%. The five top-ranked dipeptides include LD, NV, LI, KY, and MN with scores 996, 992, 989, 987, and 985, respectively. Five amino acids with the highest propensity scores are Ile, Phe, Met, Gly, and Leu, that hydrophobic residues are mostly highly-scored. Furthermore, obtained propensity scores were used to analyze physicochemical properties of human transporters.

Keywords: dipeptide composition, physicochemical property, human transmembrane transporter proteins, human transmembrane transporters binding propensity, scoring card method

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Authors: David Shengelia, Tamara Tsutsunava, Manana Togonidze, Giorgi Chichinadze, Giorgi Beridze

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Orthoclase gabbro intrusive exposes in the Eastern part of the Dzirula crystalline massif of the Central Transcaucasian microcontinent. It is intruded in the Baikal quartz-diorite gneisses as a stock-like body. The intrusive is characterized by heterogeneity of rock composition: variability of mineral content and irregular distribution of rock-forming minerals. The rocks are represented by pyroxenites, gabbro-pyroxenites and gabbros of different composition – K-feldspar, pyroxene-hornblende and biotite bearing varieties. Scientific views on the genesis and age of the orthoclase gabbro intrusive are considerably different. Based on the long-term pertogeochemical and geochronological investigations of the intrusive with such an extraordinary composition the authors came to the following conclusions. According to geological and geophysical data, it is stated that in the Saurian orogeny horizontal tectonic layering of the Earth’s crust of the Central Transcaucasian microcontinent took place. That is precisely this fact that explains the formation of the orthoclase gabbro intrusive. During the tectonic doubling of the Earth’s crust of the mentioned microcontinent thick tectonic nappes of mafic and sialic layers overlap the sialic basement (‘inversion’ layer). The initial magma of the intrusive was of high-temperature basite-ultrabasite composition, crystallization products of which are pyroxenites and gabbro-pyroxenites. Petrochemical data of the magma attest to its formation in the Upper mantle and partially in the ‘crustal astenolayer’. Then, a newly formed overheated dry magma with phenocrysts of clinopyrocxene and basic plagioclase intruded into the ‘inversion’ layer. From the new medium it was enriched by the volatile components causing the selective melting and as a result the formation of leucocratic quartz-feldspar material. At the same time in the basic magma intensive transformation of pyroxene to hornblende was going on. The basic magma partially mixed with the newly formed acid magma. These different magmas intruded first into the allochthonous basite layer without its significant transformation and then into the upper sialic layer and crystallized here at a depth of 7-10 km. By petrochemical data the newly formed leucocratic granite magma belongs to the S type granites, but the above mentioned mixed magma – to H (hybrid) type. During the final stage of magmatic processes the gabbroic rocks impregnated with high-temperature feldspar-bearing material forming anorthoclase or orthoclase. Thus, so called ‘orthoclase gabbro’ includes the rocks of various genetic groups: 1. protolith of gabbroic intrusive; 2. hybrid rock – K-feldspar gabbro and 3. leucocratic quartz-feldspar bearing rock. Petrochemical and geochemical data obtained from the hybrid gabbro and from the inrusive protolith differ from each other. For the identification of petrogenetic model of the orthoclase gabbro intrusive formation LA-ICP-MS- U-Pb zircon dating has been conducted in all three genetic types of gabbro. The zircon age of the protolith – mean 221.4±1.9 Ma and of hybrid K-feldspar gabbro – mean 221.9±2.2 Ma, records crystallization time of the intrusive, but the zircon age of quartz-feldspar bearing rocks – mean 323±2.9 Ma, as well as the inherited age (323±9, 329±8.3, 332±10 and 335±11 Ma) of hybrid K-feldspar gabbro corresponds to the formation age of Late Variscan granitoids widespread in the Dzirula crystalline massif.

Keywords: The Caucasus, isotope dating, orthoclase-bearing gabbro, petrogenetic model

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Authors: Dmytro O. Plutenko, Alexei D. Kiselev, Mikhail V. Vasnetsov

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We present the results of our analytical and computational study of Laguerre-Gaussian (LG) beams scattering by spherical homogeneous isotropic particles located on the axis of the beam. We consider different types of scatterers (dielectric, metallic and double negative metamaterials) and different polarizations of the LG beams. A possibility to generate photonic nanojets using metallic and double negative metamaterial Mie scatterers is shown. We have studied the properties of such nonclassical nanojets and discovered new types of the nanojets characterized by zero on-axes magnetic (or electric) field with the electric (or magnetic) field polarized along the z-axis.

Keywords: double negative metamaterial, Laguerre-Gaussian beam, Mie scattering, optical vortices, photonic nanojets

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Authors: Anton Trník, Lenka Scheinherrová, Robert Černý

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Silica fume is a by-product of the ferro-silicon and silicon metal industries. It is mainly in the form of amorphous silica. Silica fume belongs to pozzolanic active materials which can be used in concrete to improve its final properties. In this paper, the influence of silica fume on hydration of cement pastes is studied using differential scanning calorimetry (DSC) and thermogravimetry (TG) at various curing times (2, 7, 28, and 90 days) in the temperature range from 25 to 1000 °C in an argon atmosphere. Samples are prepared from Portland cement CEM I 42.5 R which is partially replaced with the silica fume of 4, 8, and 12 wt.%. The water/binder ratio is chosen as 0.5. It is identified and described the liberation of physically bound water, calcium–silicate–hydrates dehydration, portlandite and calcite decomposition in studied samples. Also, it is found out that an exothermic peak at 950 °C is observed without a significant mass change for samples with 12 wt.% of silica fume after two days of hydration. This peak is probably caused by the pozzolanic reaction between silica fume and Portland cement. Its size corresponds to the degree of crystallization between Ca and Si. The portlandite content is lower for the samples with a higher amount of silica fume.

Keywords: differential scanning calorimetry, hydration, silica fume, thermogravimetry

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Authors: Indra Gonzalez Ojeda, Tatiana Quinones, Manuel Rosario, Igor Lednev, Juan Lopez Garriga

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Amyloid fibrils are stable aggregates of misfolded protein associated with many neurodegenerative disorders. It has been shown that hydrogen sulfide (H2S), inhibits the fibrillation of lysozyme through the formation of trisulfide (S-S-S) bonds. However, the overall mechanism remains elusive. Here, the concentration dependence of H2S effect was investigated using Atomic force microscopy (AFM), non-resonance Raman spectroscopy, Deep-UV Raman spectroscopy and circular dichroism (CD). It was found that small spherical aggregates with trisulfide bonds and a unique secondary structure were formed instead of amyloid fibrils when adding concentrations of 25 mM and 50 mM of H2S. This could indicate that H2S might serve as a protecting agent for the protein. However, further characterization of these aggregates and their trisulfide bonds is needed to fully unravel the function H2S has on protein fibrillation.

Keywords: amyloid fibrils, hydrogen sulfide, protein folding, raman spectroscopy

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Authors: R. S. Yadav, J. Havlica, I. Kuřitka, Z. Kozakova, J. Masilko, M. Hajdúchová, V. Enev, J. Wasserbauer

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In this present work, CoFe2-xNdxO4 (0.0 ≤ x ≥0.1) spinel ferrite nanoparticles were synthesized by starch-assisted sol-gel auto-combustion method. Powder X-ray diffraction patterns were revealed the formation of cubic spinel ferrite with the signature of NdFeO3 phase at higher Nd3+ concentration. The field emission scanning electron microscopy study demonstrated the spherical nanoparticle in the size range between 5-15 nm. Raman and Fourier Transform Infrared spectra supported the formation of the spinel ferrite structure in the nanocrystalline form. The X-ray photoelectron spectroscopy (XPS) analysis confirmed the presence of Co2+ and Fe3+ at octahedral as well as a tetrahedral site in CoFe2-xNdxO4 nanoparticles. The change in magnetic properties with a variation of concentration of Nd3+ ions in cobalt ferrite nanoparticles was observed.

Keywords: nanoparticles, spinel ferrites, sol-gel auto-combustion method, CoFe2-xNdxO4

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Authors: Chao Hu, Xinwen Liao, Qing-Hua Qin, Gang Wang

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The hierarchical carbon nanotube (CNT)/carbon fiber (CF)/high density polyethylene (HDPE) was fabricated via compound extrusion and injection molding, in which to author’s best knowledge CNT was employed as a nano-coatings on the surface of CF for the first time by spray coating technique. The CNT coatings relative to CF was set at 1 wt% and the CF content relative to the composites varied from 0 to 25 wt% to study the influence of CNT coatings and CF contents on the mechanical, thermal and morphological performance of this hierarchical composites. The results showed that with the rise of CF contents, the mechanical properties, including the tensile properties, flexural properties, and hardness of CNT/CF/HDPE composites, were effectively improved. Furthermore, the CNT-coated composites showed overall higher mechanical performance than the uncoated counterparts. It can be ascribed to the enhancement of interfacial bonding between the CF and HDPE via the incorporation of CNT, which was demonstrated by the scanning electron microscopy observation. Meanwhile, the differential scanning calorimetry data indicated that by the introduction of CNT and CF, the crystallization temperature and crystallinity of HDPE were affected while the melting temperature did not have an obvious alteration.

Keywords: carbon fibers, carbon nanotubes, extrusion, high density polyethylene

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Authors: P. Venkata Karthik, B. Kranthi Kumar

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Fly ash is a solid waste product of coal based electric power generating plants. Fly ash is the finest of coal ash particles and it is transported from the combustion chamber by exhaust gases. Fly ash is removed by particulate emission control devices such as electrostatic precipitators or filter fabric bag-houses. It is a fine material with spherical particles. Large quantities of fly ash discharged from coal-fired power stations are a major problem not only in terms of scarcity of land available for its disposal, but also in environmental aspects. Fly ash can be one of the alternatives and can be a viable option to use as a filling material. This paper contains the problems associated with fly ash generation, need for its management and the efficacy of fly ash composite as a backfilling material. By conducting suitable geotechnical investigations and numerical modelling techniques, the fly ash composite material was tested. It also contains case studies of typical Indian opencast and underground coal mines.

Keywords: backfilling, fly ash, high concentration slurry disposal, power plant, void infilling

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Authors: Shrikaant Kulkarni, Akshata Naik Nimbalkar

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In this worki a method protocol has been developed for the synthesis of innovative Co3O4 material by using a method of chemical synthesis followed by calcination. The effect of calcination temperature on the morphology, structure and catalytic performance on material in question is investigated by using characterization tools like scanning electron microscopy (SEM), X-ray diffraction (XRD) spectroscopy and electrochemical techniques. The SEM images reveal that the morphology of the Co3O4 material undergoes a change from the rod to a beadlike shape on calcination at temperature of 700 °C. The XRD image shows that although the morphology of synthesized Co3O4 material exhibits a cubic phase but it differs in crystallinity depending upon morphology. Similarly spherical beadlike Co3O4 material has exhibited better activity than its rodlike counterpart which is reflected from electrochemical findings. Further, its performance in terms of bifunctional nature and hlods a lot much of promise as a excellent electrode material in the next generation batteries and fuel cells.

Keywords: bifunctional, next generation material, Co3O4, XRD

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Authors: Yong-Cin Chen, Meng-Jiy Wang

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This study reports to prepare cuprous oxide (Cu2O) particles with different dimension and shape for evaluating the antibacterial applications. In the preparation of Cu2O, the surfactant, cetyltrimethylammonium bromide (CTAB), was used as templates to modulate the size of the prepared Cu2O particles. Furthermore, ammonia water was used for adjusting the pH environment that four different shapes of particles including cubic, spherical, octahedral, and star-like Cu2O were synthesized. The physical characteristics of Cu2O particles were evaluated by scanning electron microscope (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV/VIS spectrophotometer, and zeta potential meter/particle size analyzer (ZetaPALS). The resistance to bacteria was investigated against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) by applying the synthesized Cu2O particles that the qualitative analyses were facilitated by measuring the inhibition zone on Agar plate.

Keywords: copper oxide, cupric oxide, nanoparticles, antibacetrial

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Authors: Gabriel K. Nzulu, Hans Högberg, Per Eklund, Lars Hultman, Martin Magnuson

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X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy dispersive X-ray spectroscopy (EDX) are applied to investigate the properties of rock samples from a drill hole from the Kubi Gold Project of the Asante Gold Corporation near Dunwka-on-Offin in the Central Region of Ghana. The distribution of these minerals in the rocks were observed in the drill hole sections. X-ray diffraction indicates that the samples contain garnet, pyrite, periclase, and quartz as the main indicator minerals. SEM revealed morphologies of these minerals. From EDX and XPS, Fe, Mg, Al, S, O, Hg, Ti, Mn, Na, Ag, Au, Cu, Si, and K are identified as the pathfinder elements in the area that either form alloys with gold or inherent elements in the sediments. This finding can be ascribed to primary geochemical distribution, which developed from crystallization of magma and hydrothermal liquids as well as the movement of metasomatic elements and the precipitous rate of chemical weathering of lateralization in secondary processes. The results indicate that Au mineralization in the Kubi Mine area is controlled by garnet, pyrite, goethite, and kaolinite that grades up to the surface (oxides) with hematite and limonite alterations.

Keywords: gold, minerals, pathfinder element, spectroscopy, X-ray

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Authors: B. Zare-Farsani, M. Valieghbal, M. Tarkashvand, A. H. Farahbod

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To provide the conditions for nuclear fusion by high energy and powerful laser beams, it is required to have a high degree of symmetry and surface uniformity of the spherical capsules to reduce the Rayleigh-Taylor hydrodynamic instabilities. In this paper, we have used the digital microscopic holography based on Mach-Zehnder interferometer to study the quality of targets for inertial fusion. The interferometric pattern of the target has been registered by a CCD camera and analyzed by Holovision software. The uniformity of the surface and shell thickness are investigated and measured in reconstructed image. We measured shell thickness in different zone where obtained non uniformity 22.82 percent.  

Keywords: inertial confinement fusion, mach-zehnder interferometer, digital holographic microscopy, image reconstruction, holovision

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Authors: Valeriy Nebritov

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The paper presents a generalized method for determining the service solid angle based on the assigned gripper axis orientation with a stationary grip center. Motion synthesis in this work is carried out in the vector of velocities. As an example, a solid angle of the android robot arm is determined, this angle being formed by the longitudinal axis of a gripper. The nature of the method is based on the study of sets of configuration positions, defining the end point positions of the unit radius sphere sweep, which specifies the service solid angle. From this the spherical curve specifying the shape of the desired solid angle was determined. The results of the research can be used in the development of control systems of autonomous android robots.

Keywords: android robot, control systems, motion synthesis, service angle

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Authors: Christine Böckmann, Julia Rosemann

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We present an inversion algorithm that is used in the European Aerosol Lidar Network for the inversion of data collected with multi-wavelength Raman lidar. These instruments measure backscatter coefficients at 355, 532, and 1064 nm, and extinction coefficients at 355 and 532 nm. The algorithm is based on manually controlled inversion of optical data which allows for detailed sensitivity studies and thus provides us with comparably high quality of the derived data products. The algorithm allows us to derive particle effective radius, volume, surface-area concentration with comparably high confidence. The retrieval of the real and imaginary parts of the complex refractive index still is a challenge in view of the accuracy required for these parameters in climate change studies in which light-absorption needs to be known with high accuracy. Single-scattering albedo (SSA) can be computed from the retrieve microphysical parameters and allows us to categorize aerosols into high and low absorbing aerosols. From mathematical point of view the algorithm is based on the concept of using truncated singular value decomposition as regularization method. This method was adapted to work for the retrieval of the particle size distribution function (PSD) and is called hybrid regularization technique since it is using a triple of regularization parameters. The inversion of an ill-posed problem, such as the retrieval of the PSD, is always a challenging task because very small measurement errors will be amplified most often hugely during the solution process unless an appropriate regularization method is used. Even using a regularization method is difficult since appropriate regularization parameters have to be determined. Therefore, in a next stage of our work we decided to use two regularization techniques in parallel for comparison purpose. The second method is an iterative regularization method based on Pade iteration. Here, the number of iteration steps serves as the regularization parameter. We successfully developed a semi-automated software for spherical particles which is able to run even on a parallel processor machine. From a mathematical point of view, it is also very important (as selection criteria for an appropriate regularization method) to investigate the degree of ill-posedness of the problem which we found is a moderate ill-posedness. We computed the optical data from mono-modal logarithmic PSD and investigated particles of spherical shape in our simulations. We considered particle radii as large as 6 nm which does not only cover the size range of particles in the fine-mode fraction of naturally occurring PSD but also covers a part of the coarse-mode fraction of PSD. We considered errors of 15% in the simulation studies. For the SSA, 100% of all cases achieve relative errors below 12%. In more detail, 87% of all cases for 355 nm and 88% of all cases for 532 nm are well below 6%. With respect to the absolute error for non- and weak-absorbing particles with real parts 1.5 and 1.6 in all modes the accuracy limit +/- 0.03 is achieved. In sum, 70% of all cases stay below +/-0.03 which is sufficient for climate change studies.

Keywords: aerosol particles, inverse problem, microphysical particle properties, regularization

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Authors: Siva Prasad Peddi

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Silver nanoparticles were successfully synthesized from silver nitrate through a rapid green synthesis method using Eclipta prostrata leaf extract as a reducing cum stabilizing agent. The experimental procedure was readily conducted at room temperature and pressure, and could be easily scaled up. The silver nanoparticles thus obtained were characterized using UV-Visible Spectroscopy (UV-VIS) which yielded an absorption peak at 416 nm. The biomolecules responsible for capping of the bio-reduced silver nanoparticles synthesized using plant extract were successfully identified through FTIR analysis. It was evinced through Scanning Electron Microscope (SEM), and X-ray diffraction (XRD) analysis that the silver nanoparticles were crystalline in nature and spherical in shape. The average size of the particles obtained using Scherrer’s formula was 27.4 nm. The adopted technique for silver nanoparticle synthesis is suitable for large-scale production.

Keywords: silver nanoparticles, green synthesis, characterization, Eclipta prostrata

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Authors: A. V. Samokhin, A. A. Fadeev, M. A. Sinaiskii, N. V. Alekseev, A. V. Kolesnikov

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Composite materials where metal matrix is reinforced by ceramic or metal particles are of great interest for use in the manufacturing of electrical contacts. Significant improvement of the composite physical and mechanical properties as well as increase of the performance parameters of composite-based products can be achieved if the nanoscale structure in the composite materials is obtained by using nanosized powders as starting components. The results of nanosized composite powders synthesis (Ag-SnO2, W-Cu and Cu-C) in the DC thermal plasma flows are presented in this paper. The investigations included the following processes: - Recondensation of micron powder mixture Ag + SnO2 in a nitrogen plasma; - The reduction of the oxide powders mixture (WO3 + CuO) in a hydrogen-nitrogen plasma; - Decomposition of the copper formate and copper acetate powders in nitrogen plasma. The calculations of equilibrium compositions of multicomponent systems Ag-Sn-O-N, W-Cu-O-H-N and Cu-O-C-H-N in the temperature range of 400-5000 K were carried to estimate basic process characteristics. Experimental studies of the processes were performed using a plasma reactor with a confined jet flow. The plasma jet net power was in the range of 2 - 13 kW, and the feedstock flow rate was up to 0.35 kg/h. The obtained powders were characterized by TEM, HR-TEM, SEM, EDS, ED-XRF, XRD, BET and QEA methods. Nanocomposite Ag-SnO2 (12 wt. %). Processing of the initial powder mixture (Ag-SnO2) in nitrogen thermal plasma stream allowed to produce nanopowders with a specific surface area up to 24 m2/g, consisting predominantly of particles with size less than 100 nm. According to XRD results, tin was present in the obtained products as SnO2 phase, and also as intermetallic phases AgxSn. Nanocomposite W-Cu (20 wt .%). Reduction of (WO3+CuO) mixture in the hydrogen-nitrogen plasma provides W-Cu nanopowder with particle sizes in the range of 10-150 nm. The particles have mainly spherical shape and structure tungsten core - copper shell. The thickness of the shell is about several nanometers, the shell is composed of copper and its oxides (Cu2O, CuO). The nanopowders had 1.5 wt. % oxygen impurity. Heat treatment in a hydrogen atmosphere allows to reduce the oxygen content to less than 0.1 wt. %. Nanocomposite Cu-C. Copper nanopowders were found as products of the starting copper compounds decomposition. The nanopowders primarily had a spherical shape with a particle size of less than 100 nm. The main phase was copper, with small amount of Cu2O and CuO oxides. Copper formate decomposition products had a specific surface area 2.5-7 m2/g and contained 0.15 - 4 wt. % carbon; and copper acetate decomposition products had the specific surface area 5-35 m2/g, and carbon content of 0.3 - 5 wt. %. Compacting of nanocomposites (sintering in hydrogen for Ag-SnO2 and electric spark sintering (SPS) for W-Cu) showed that the samples having a relative density of 97-98 % can be obtained with a submicron structure. The studies indicate the possibility of using high-intensity plasma processes to create new technologies to produce nanocomposite materials for electric contacts.

Keywords: electrical contact, material, nanocomposite, plasma, synthesis

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Authors: Shiraz A. Markarian

Abstract:

Our systematic studies of diethylsulfoxide (DESO), the nearest homologue of dimethylsulfoxide (DMSO), reveal new physicochemical features. DESO has already received worthy biomedical applications: in some cases even are more pronounced compare with DMSO. The several important physicochemical characteristics of DESO including aqueous solutions have been verified and first reported: melting point of pure substance, density, dielectric relaxation data, vapor pressure and volumetric properties. Analysis of the complete vibrational spectra also leads to the conclusion that very strong interactions take place between DESO and water, even stronger than those between DMSO and water. The simultaneous existence of strong DESO-H₂O and DESO-DESO interactions suggest the coexistence of many types of structural molecular aggregates, the presence of which plays a significant role also in diluted water solutions. Our recent investigations have shown that aqueous solution of DESO could provide amorphous, glassy systems, thus avoiding ice crystallization, in a wide range of concentrations and even at very low cooling rates. The ability of DESO to act as an effective cryoprotectant on E. coli survival was also studied and compared with other commonly used cryoprotective agents. The results also confirm that DESO, more than DMSO, is able to penetrate living tissues without causing significant damage.

Keywords: diethylsulfoxide, dimethylsulfoxide, cryoprotectant, properties

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Authors: K. Sowri Babu, P. Srinath, N. Rajeswara Rao, K. Venugopal Reddy

Abstract:

The effect of gamma ray irradiation on morphology and optical properties of ZnO/Mesoporous silica (MPS) nanocomposite was studied. The ZnO/MPS nanocomposite was irradiated with gamma rays of doses 30, 60, and 90 kGy and dose-rate of irradiation was 0.15 kGy/hour. Irradiated samples are characterized with FE-SEM, FT-IR, UV-vis, and Photoluminescence (PL) spectrometers. SEM pictures showed that morphology changed from spherical to flake like morphology. UV-vis analysis showed that the band gap increased with increase of gamma ray irradiation dose. This enhancement of the band gap is assigned to the depletion of oxygen vacancies with irradiation. The intensity of PL peak decreased gradually with increase of gamma ray irradiation dose. The decrease in PL intensity is attributed to the decrease of oxygen vacancies at the interface due to poor interface and improper passivation between ZnO/MPS.

Keywords: ZnO nanoparticles, nanocomposites, mesoporous silica, photoluminescence

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Authors: Mengqi Wu, Haiping Zhu, Chin J. Leo

Abstract:

In this study, six experimental cases with different components (dry and wet soils and rocks) were considered to elucidate the influence of material composition on landslide profiles. The results show that the accumulation zone for all cases considered has a quadrilateral shape with two different bottom angles. The asymmetry of the accumulation zone can be attributed to the fact that soils in different parts of the landslide sliding can produce different speeds and suffer different resistances. The higher soil moisture can generate stronger cohesion between soils to reduce the volume of the sliding body during the landslide. The rock content can increase the accumulation angles to improve slope stability. The interaction between the irregular shapes of rocks and soils provides more resistance than that between spherical rocks and soils, which causes the slope with irregular rocks and soils to have higher stability.

Keywords: landslide, soil moisture, rock content, experimental simulation

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Authors: Rewadee Anuwattana, Narumol Soparatana, Pattamaphorn Phuangngamphan, Worapong Pattayawan, Atiporn Jinprayoon, Saroj Klangkongsap, Supinya Sutthima

Abstract:

In this work focus on clarification in palm oil wastewater treatment by using coagulant composite from palm oil ash. The design of this study was carried out by two steps; first, synthesis of new coagulant composite from palm oil ash which was fused by using Al source combined with Fe source and form to the crystal by the hydrothermal crystallization process. The characterization of coagulant composite from palm oil ash was analyzed by advanced instruments, and The pattern was analyzed by X-ray Diffraction (XRD), chemical composition by X-Ray Fluorescence (XRFS) and morphology characterized by SEM. The second step, the clarification wastewater treatment efficiency of synthetic coagulant composite, was evaluated by coagulation/flocculation process based on the COD, turbidity, phosphate and color removal of wastewater from palm oil factory by varying the coagulant dosage (1-8 %w/v) with no adjusted pH and commercial coagulants (Alum, Ferric Chloride and poly aluminum chloride) which adjusted the pH (6). The results found that the maximum removal of 6% w/v of synthetic coagulant from palm oil ash can remove COD, turbidity, phosphate and color was 88.44%, 93.32%, 93.32% and 93.32%, respectively. The experiments were compared using 6% w/v of commercial coagulants (Alum, Ferric Chloride and Polyaluminum Chloride) can remove COD of 74.29%, 71.43% and 57.14%, respectively.

Keywords: coagulation, coagulant, wastewater treatment, waste utilization, palm oil ash

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Authors: El Hadi Zouaoui, Djamel Nibou, Mohamed Haddouche, Wan Azlina Wan Ab Karim Ghani, Samira Amokrane

Abstract:

In this study, CH₄ adsorption isotherms on NaX or Faujasite X and exchanged zeolites with Li⁺(LiX), and K⁺(KX) at different temperatures (298, 308, 323 and 353 K) has been investigated, using high pressure (3 MPa (30 bar)) thermo-gravimetric analyser. The experimental results were then validated using several isothermal kinetics models, namely Langmuir, Toth, and Marczewski-Jaroniec, followed by a calculation of the error coefficients between the experimental and theoretical results. It was found that the CH₄ adsorption isotherms are characterized by a strong increase in adsorption at low pressure and a tendency towards a high pressure limit value Qₘₐₓ. The size and position of the exchanged cations, the spherical shape of methane, the specific surface, and the volume of the pores revealed the most important influence parameters for this study. These results revealed that the experimentation and the modeling, well correlated with Marczewski-Jaroniec, Toth, and gave the best results whatever the temperature and the material used.

Keywords: CH₄ adsorption, exchange cations, exchanged zeolite, isotherm study, NaX zeolite

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Authors: Lynette Lincoln, Sunil S. More

Abstract:

With the rising demand of sugar used today, it is proposed that world sugar is expected to escalate up to 203 million tonnes by 2021. Hydrolysis of sucrose (table sugar) into glucose and fructose equimolar mixture is catalyzed by β-D-fructofuranoside fructohydrolase (EC 3.2.1.26), commonly called as invertase. For fluid filled center in chocolates, preparation of artificial honey, as a sweetener and especially to ensure that food stuffs remain fresh, moist and soft for longer spans invertase is applied widely and is extensively being used. From an industrial perspective, properties such as increased solubility, osmotic pressure and prevention of crystallization of sugar in food products are highly desired. Screening for invertase does not involve plate assay/qualitative test to determine the enzyme production. In this study, we use a three-step screening strategy for identification of a novel bacterial isolate from soil which is positive for invertase production. The primary step was serial dilution of soil collected from sugarcane fields (black soil, Maddur region of Mandya district, Karnataka, India) was grown on a Czapek-Dox medium (pH 5.0) containing sucrose as the sole C-source. Only colonies with the capability to utilize/breakdown sucrose exhibited growth. Bacterial isolates released invertase in order to take up sucrose, splitting the disaccharide into simple sugars. Secondly, invertase activity was determined from cell free extract by measuring the glucose released in the medium at 540 nm. Morphological observation of the most potent bacteria was examined by several identification tests using Bergey’s manual, which enabled us to know the genus of the isolate to be Bacillus. Furthermore, this potent bacterial colony was subjected to 16S rDNA PCR amplification and a single discrete PCR amplicon band of 1500 bp was observed. The 16S rDNA sequence was used to carry out BLAST alignment search tool of NCBI Genbank database to obtain maximum identity score of sequence. Molecular sequencing and identification was performed by Xcelris Labs Ltd. (Ahmedabad, India). The colony was identified as Bacillus sp. BAB-3434, indicating to be the first novel strain for extracellular invertase production. Molasses, a by-product of the sugarcane industry is a dark viscous liquid obtained upon crystallization of sugar. An enhanced invertase production and optimization studies were carried out by one-factor-at-a-time approach. Crucial parameters such as time course (24 h), pH (6.0), temperature (45 °C), inoculum size (2% v/v), N-source (yeast extract, 0.2% w/v) and C-source (molasses, 4% v/v) were found to be optimum demonstrating an increased yield. The findings of this study reveal a simple screening method of an extracellular invertase from a rapidly growing Bacillus sp., and selection of best factors that elevate enzyme activity especially utilization of molasses which served as an ideal substrate and also as C-source, results in a cost-effective production under submerged conditions. The invert mixture could be a replacement for table sugar which is an economic advantage and reduce the tedious work of sugar growers. On-going studies involve purification of extracellular invertase and determination of transfructosylating activity as at high concentration of sucrose, invertase produces fructooligosaccharides (FOS) which possesses probiotic properties.

Keywords: Bacillus sp., invertase, molasses, screening, submerged fermentation

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Authors: Ouardi Okkacha, Kaarour Abedlkrim, Meskine Mohamed

Abstract:

The effective Hamiltonians are widely used in molecular spectroscopy for the interpretation of the vibration-rotation spectra. Their construction is an ambiguous procedure due to the existence of unitary transformations that change the effective Hamiltonian but do not change its eigenvalues. As a consequence of this ambiguity, it may happen that some parameters of effective Hamiltonians cannot be recovered from experimental data in a unique way. The type of admissible transformations which keeps the operator form of the effective Hamiltonian unaltered and the number of empirically determinable parameters strongly depend on the symmetry type of a molecule (asymmetric top, spherical top, and so on) and on the degeneracy of the vibrational state. In this work, we report the study of the ambiguity of effective Hamiltonian for the fundamental degenerate states v3 of the Molecule 12CD4.

Keywords: 12CD4, high-resolution infrared spectra, tetrahedral tensorial formalism, vibrational states, rovibrational line position analysis, XTDS, SPVIEW

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