Search results for: atomic orbitals

Authors: I. O. Oyatayo, K. T. Oyatayo, B. Mamman

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This study was aimed at the assessment of heavy metal pollution of the water in river Benue along Ibi, Taraba State, Nigeria. Water samples were collected at ten sampling points over a distance of 100 meters each. The following water quality parameters were determined: TDS, copper, zinc, chromium, iron, mercury, nickel, and manganese, and the results were compared with the Nigerian Standard for Drinking Water Quality (NSDWQ) and WHO maximum permitted limits. The water quality analysis was conducted using the atomic absorption spectrophotometer (Model: 01-0960-00) at 510 nm. The mean value concentrations of copper, zinc, chromium, nickel, mercury, and mercury are within the permissible limits, while that of iron is above the limit. The summary of ANOVA single-factor statistics with a specified rejection level at α 0.05 is insignificant. The study concludes that the quality of water from river Benue along Ibi is deteriorating and unfit for human consumption. It was recommended that residents of the study area should be enlightened on the effects of indiscriminate dumping of waste and the proper handling and application of fertilizer and herbicides, as some of these end up in the river via surface runoff.

Keywords: heavy, metal, pollution, river, Ibi

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Authors: Yen-Ping Peng, Ku-Fan Chen, Ken-Lin Chang, Jian Sun

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In this study, palladium loaded titanium dioxide nanotube arrays (Pd/TNAs) was successfully synthesized by anodic oxidation etching method combined with microwave hydrothermal method, using tea or coffee as a green reductant. Pd/TNAs was employed as an electrode in a photoelectrochemcial (PEC) system to simultaneously remove azo-dye and to generate hydrogen in the anodic and cathodic chamber, respectively. The chemical and physical properties of as-synthesized Pd/TNAs were characterized by scanning electron microscopy (SEM), ultraviolet–visible spectroscopy (UV-vis), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). SEM image indicates the diameter and the length of Pd/TNAs were approximately 300 nm and 2.5 μm, respectively. XPS analyses indicate that 1.13% (atomic %) of Pd was loaded onto the surface of TNAs. UV-vis results show that the band gap of TNAs was reduced from 3.2 eV to 2.37 eV after Pd loading. In addition, the electrochemical performances of Pd/TNAs were investigated by photocurrent density test and electrochemical impedance spectroscopy (EIS). The photocurrent (4.0 mA/cm²) of Pd /TNAs was higher than that of the uncoated TNAs (1.4 mA/cm²) at a bias potential of 1 V (vs. Ag/AgCl), indicating that Pd/TNAs-C can effectively separate photogenerated electrons and holes. The mechanism of our PEC system was proposed and discussed in detail in this study.

Keywords: Pd/TNAs, photoelectrochemical, azo-dye degradation, hydrogen generation

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Authors: Babak Eslami

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Bimodal and trimodal AFM have provided additional capabilities to scanning probe microscopy characterization techniques. These capabilities have specifically enhanced material characterization of surfaces and provided subsurface imaging in addition to conventional topography images. Bimodal and trimodal AFM, being different techniques of multifrequency AFM, are based on exciting the cantilever’s fundamental eigenmode with second and third eigenmodes simultaneously. Although higher eigenmodes provide a higher number of observables that can provide additional information about the sample, they cause experimental challenges. In this work, different experimental approaches for enhancing AFM images in multifrequency for different characterization goals are provided. The trade-offs between eigenmodes including the advantages and disadvantages of using each mode for different samples (ranging from stiff to soft matter) in both air and liquid environments are provided. Additionally, the advantage of performing conventional single tapping mode AFM with higher eigenmodes of the cantilever in order to reduce sample indentation is discussed. These analyses are performed on widely used polymers such as polystyrene, polymethyl methacrylate and air nanobubbles on different surfaces in both air and liquid.

Keywords: multifrequency, sensitivity, soft matter, polymer

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Authors: Piotr Jablonski, Krzysztof Mars, Wiktor Niemiec, Agnieszka Kyziol, Marek Hebda, Halina Krawiec, Karol Kyziol

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NiTi alloys, possessing unique mechanical properties such as pseudoelasticity and shape memory effect (SME), are suitable for many applications, including implanthology and biomedical devices. Additionally, these alloys have similar values of elastic modulus to those of human bones, what is very important in orthopedics. Unfortunately, the environment of physiological fluids in vivo causes unfavorable release of Ni ions, which in turn may lead to metalosis as well as allergic reactions and toxic effects in the body. For these reasons, the surface properties of NiTi alloys should be improved to increase corrosion resistance, taking into account biological properties, i.e. excellent biocompatibility. The prospective in this respect are layers based on DLC (Diamond-Like Carbon) structures, which are an attractive solution for many applications in implanthology. These coatings (DLC), usually obtained by PVD (Physical Vapour Deposition) and PA CVD (Plasma Activated Chemical Vapour Deposition) methods, can be also modified by doping with other elements like silicon, nitrogen, oxygen, fluorine, titanium and silver. These methods, in combination with a suitably designed structure of the layers, allow the possibility co-decide about physicochemical and biological properties of modified surfaces. Mentioned techniques provide specific physicochemical properties of substrates surface in a single technological process. In this work, the following types of layers based on DLC structures (incl. Si-DLC or Si/N-DLC) were proposed as prospective and attractive approach in surface functionalization of shape memory alloy. Nitinol substrates were modified in plasma conditions, using RF CVD (Radio Frequency Chemical Vapour Deposition). The influence of plasma treatment on the useful properties of modified substrates after deposition DLC layers doped with silica and/or nitrogen atoms, as well as only pre-treated in O2 NH3 plasma atmosphere in a RF reactor was determined. The microstructure and topography of the modified surfaces were characterized using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Furthermore, the atomic structure of coatings was characterized by IR and Raman spectroscopy. The research also included the evaluation of surface wettability, surface energy as well as the characteristics of selected mechanical and biological properties of the layers. In addition, the corrosion properties of alloys after and before modification in the physiological saline were also investigated. In order to determine the corrosion resistance of NiTi in the Ringer solution, the potentiodynamic polarization curves (LSV – Linear Sweep Voltamperometry) were plotted. Furthermore, the evolution of corrosion potential versus immersion time of TiNi alloy in Ringer solution was performed. Based on all carried out research, the usefullness of proposed modifications of nitinol for medical applications was assessed. It was shown, inter alia, that the obtained Si-DLC layers on the surface of NiTi alloy exhibit a characteristic complex microstructure, increased surface development, which is an important aspect in improving the osteointegration of an implant. Furthermore, the modified alloy exhibits biocompatibility, the transfer of the metal (Ni, Ti) to Ringer’s solution is clearly limited.

Keywords: bioactive coatings, corrosion resistance, doped DLC structure, NiTi alloy, RF CVD

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Authors: Anil Kumar, Rajnish Kaur, Mateusz Czyzycki, Alessandro Migilori, Andreas Germanos Karydas, Sanjiv Puri

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The radiative decay of Li(i=1-3) sub-shell vacancies produced through photoionization results in production of the characteristic emission spectrum comprising several X-ray lines, whereas non-radiative vacancy decay results in Auger electron spectrum. Accurate reliable data on the Li(i=1-3) sub-shell X-ray production (XRP) cross sections is of considerable importance for investigation of atomic inner-shell ionization processes as well as for quantitative elemental analysis of different types of samples employing the energy dispersive X-ray fluorescence (EDXRF) analysis technique. At incident photon energies in vicinity of the absorption edge energies of an element, the many body effects including the electron correlation, core relaxation, inter-channel coupling and post-collision interactions become significant in the photoionization of atomic inner-shells. Further, in case of compounds, the characteristic emission spectrum of the specific element is expected to get influenced by the chemical environment (coordination number, oxidation state, nature of ligand/functional groups attached to central atom, etc.). These chemical effects on L X-ray fluorescence parameters have been investigated by performing the measurements at incident photon energies much higher than the Li(i=1-3) sub-shell absorption edge energies using EDXRF spectrometers. In the present work, the cross sections for production of the Lk(k= γ2,3, γ4) X-rays have been measured for some compounds of 66Dy, namely, Dy2O3, Dy2(CO3)3, Dy2(SO4)3.8H2O, DyI2 and Dy metal by tuning the incident photon energies few eV above the L1 absorption-edge energy in order to investigate the influence of chemical effects on these cross sections in presence of the many body effects which become significant at photon energies close to the absorption-edge energies. The present measurements have been performed under vacuum at the IAEA end-station of the X-ray fluorescence beam line (10.1L) of ELETTRA synchrotron radiation facility (Trieste, Italy) using self-supporting pressed pellet targets (1.3 cm diameter, nominal thicknesses ~ 176 mg/cm2) of 66Dy compounds (procured from Sigma Aldrich) and a metallic foil of 66Dy (nominal thickness ~ 3.9 mg/cm2, procured from Good Fellow, UK). The present measured cross sections have been compared with theoretical values calculated using the Dirac-Hartree-Slater(DHS) model based fluorescence and Coster-Kronig yields, Dirac-Fock(DF) model based X-ray emission rates and two sets of L1 sub-shell photoionization cross sections based on the non-relativistic Hartree-Fock-Slater(HFS) model and those deduced from the self-consistent Dirac-Hartree-Fock(DHF) model based total photoionization cross sections. The present measured XRP cross sections for 66Dy as well as for its compounds for the L2,3 and L4 X-rays, are found to be higher by ~14-36% than the two calculated set values. It is worth to be mentioned that L2,3 and L4 X-ray lines are originated by filling up of the L1 sub-shell vacancies by the outer sub-shell (N2,3 and O2,3) electrons which are much more sensitive to the chemical environment around the central atom. The present observed differences between measured and theoretical values are expected due to combined influence of the many-body effects and the chemical effects.

Keywords: chemical effects, L X-ray production cross sections, Many body effects, Synchrotron radiation

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Authors: T. Imo, F. Latū, S. Aloi, J. Leung-Wai, V. Vaurasi, P. Amosa, M. A. Sheikh

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Contamination of heavy metals in coral reefs and coastal areas is a serious ecotoxicological and environmental problem due to direct runoff from anthropogenic wastes, commercial vessels, and discharge from industrial effluents. In Samoa, the information on the ecotoxicological impact of heavy metals on sediments is limited. This study presents baseline data on the concentration and distribution of heavy metals in sediments collected along the commercial and fishing ports in Samoa. Surface sediment samples were collected within the months of August-October 2013 from the 5 sites along the 2 ports. Sieved sample fractions were used for the evaluation of sediment physicochemical parameters namely pH, conductivity, organic matter, and bicarbonates of calcium. Heavy metal (Cu, Pb) analysis was achieved by flame atomic absorption spectrometry. Two heavy metals (Cu, Pb) were detected from each port with some concentration below the WHO permissible maximum concentration of environment quality standard. The results obtained from this study advocate for further studies regarding emerging threats of heavy metals on the vital marine resources which have significant importance to the livelihood of coastal societies, particularly Small Island States including Samoa.

Keywords: coastal environment, heavy metals, pollution, sediments

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Authors: Sevil Kaynar Turkoglu, Jinde Zhang, Jo Ann Ratto, Hanna Dodiuk, Samuel Kenig, Joey Mead

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Superhydrophilic, crack-free thin film coatings based on silica nanoparticles were fabricated by dip-coating method. Both thermodynamic and dynamic effects on the wetting properties of the thin films were investigated by modifying the coating formulation via changing the particle-to-binder ratio and weight % of silica in solution. The formulated coatings were characterized by a number of analyses. Water contact angle (WCA) measurements were conducted for all coatings to characterize the surface wetting properties. Scanning electron microscope (SEM) images were taken to examine the morphology of the coating surface. Atomic force microscopy (AFM) analysis was done to study surface topography. The presence of hydrophilic functional groups and nano-scale roughness were found to be responsible for the superhydrophilic behavior of the films. In addition, surface chemistry, compared to surface roughness, was found to be a primary factor affecting the wetting properties of the thin film coatings.

Keywords: poly (acrylic acid), silica nanoparticles, superhydrophilic coatings, surface wetting

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Authors: S. Zhuiykov, M. Karbalaei Akbari

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Ultra-low-level incorporation of trace impurities and dopants into two-dimensional (2D) semiconductors is a challenging step towards the development of functional electronic instruments based on 2D materials. Herein, the incorporation of sulphur atoms into 2D Ga2O3 surface oxide film of eutectic gallium-indium alloy (EGaIn) is achieved through plasma-enhanced metal-catalyst dissociation of H2S gas on EGaIn substrate. This process led to the growth of GaS crystalline nanodomains inside amorphous 2D Ga2O3 sublayer films. Consequently, 2D lateral heterophase was developed between the amorphous Ga2O3 and crystalline GaS nanodomains. The materials characterization revealed the alteration of photoluminescence (PL) characteristics and change of valence band maximum (VBM) of functionalized 2D films. The comprehensive studies by conductive atomic force microscopy (c-AFM) showed considerable enhancement of conductivity of 2D Ga2O3/GaS materials (300 times improvement) compared with that of 2D Ga2O3 film. This technique has a great potential for the fabrication of 2D metal oxide devices with tuneable electronic characteristics similar to nano junction memristors and transistors.

Keywords: 2D semiconductors, Ga₂O₃, GaS, plasma-induced functionalization

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Authors: S. Perera, T. R. Walsh, M. Solvang

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The structure-property relationships of calcium aluminosilicate (CAS) glass surfaces are of scientific and technological interest regarding dissolution phenomena. Molecular dynamics (MD) simulations can provide atomic-scale insights into the structure and properties of the CAS interfaces in vacuo as the first step to conducting computational dissolution studies on CAS surfaces. However, one limitation to date is that although the bulk properties of CAS glasses have been well studied by MD simulation, corresponding efforts on CAS surface properties are relatively few in number (both theoretical and experimental). Here, a systematic computational protocol to create CAS surfaces in vacuo is developed by evaluating the sensitivity of the resultant surface structure with respect to different factors. Factors such as the relative thickness of the surface layer, the relative thickness of the bulk region, the cooling rate, and the annealing schedule (time and temperature) are explored. Structural features such as ring size distribution, defect concentrations (five-coordinated aluminium (AlV), non-bridging oxygen (NBO), and tri-cluster oxygen (TBO)), and linkage distribution are identified as significant features in dissolution studies.

Keywords: MD simulation, CAS glasses, surface structure, structure-property, CAS interface

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Authors: Gopal Ji, Priyanka Dwivedi, Shanthi Sundaram, Rajiv Prakash

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Inhibition effect of aqueous Argemone Mexicana root extract (AMRE) on mild steel corrosion in 1 M HCl has been studied by weight loss, Tafel polarization curves, electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques. Results indicate that inhibition ability of AMRE increases with the increasing amount of the extract. A maximum corrosion inhibition of 94% is acknowledged at the extract concentration of 400 mg L-1. Polarization curves and impedance spectra reveal that both cathodic and anodic reactions are suppressed due to passive layer formation at metal-acid interface. It is also confirmed by SEM micro graphs and FTIR studies. Furthermore, the effects of acid concentration (1-5 M), immersion time (120 hours) and temperature (30-60˚C) on inhibition potential of AMRE have been investigated by weight loss method and electrochemical techniques. Adsorption mechanism is also proposed on the basis of weight loss results, which shows good agreement with Langmuir isotherm.

Keywords: mild steel, polarization, SEM, acid corrosion, EIS, green inhibition

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Authors: Sahriye Sonmez, Salih Ulger, Mustafa Kaplan, Mustafa Karhan

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The objective of this study was to investigate the effects of external ALAR application on nutrients contents in leaf and node in ‘on (bearing)’ and ‘off (non-bearing)’ years in Memecik olive trees. For this purpose; 2000 mg L-1 ALAR was externally applied to Memecik olive trees, and leaf and node samples from olive trees were taken during the induction, initiation and differentiation periods in ‘on’ and ‘off’ years. Nutrients contents (N, P, K, Ca, Mg, Fe, Mn, Zn and Cu) in leaf and node samples were determined. The K, Ca, Mg, Fe, Mn, Zn and Cu contents were determined by atomic absorption spectrophotometry, Nitrogen by Kjeldahl procedure, and P by a spectrophotometric method. The results showed that the N, Ca, Mg, Fe, Mn, Zn and Cu contents in ‘on’ year were higher than ‘off’ year while the K contents in ‘on’ year were lower than ‘off ‘ year, but the P content was not different. The N, Ca, Mg, Fe and Mn contents in leaf samples were higher in the node samples except for K while the P, Zn and Cu contents were not different. The N, K, Ca, Fe, Mn, Zn and Cu contents were lowest during the initiation period while the P content was highest in this period. The Mg content was not different in all period.

Keywords: bearing, differentiation period, induction period, initiation period, non bearing, olive

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Authors: Manoj Kumar

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Ionization cross sections of molecules due to electron impact play an important role in chemical processes in various branches of applied physics, such as radiation chemistry, gas discharges, plasmas etching in semiconductors, planetary upper atmospheric physics, mass spectrometry, etc. In the present work, we have calculated the total ionization cross sections for Adenine (C₅H₅N₅), a biologically important molecule, by electron impact in the incident electron energy range from ionization threshold to 2 keV employing a well-known Jain-Khare semiempirical formulation based on Bethe and Möllor cross sections. In the non-availability of the experimental results, the present results are in good agreement qualitatively as well as quantitatively with available theoretical results. The present results drive our confidence for further investigation of complex bio-molecule with better accuracy. Notwithstanding, the present method can deduce reliable cross-sectional data for complex targets with adequate accuracy and may facilitate the acclimatization of calculated cross-sections into atomic molecular cross-section data sets for modeling codes and other applications.

Keywords: electron impact ionization cross-sections, oscillator strength, jain-khare semiempirical approach

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Authors: Temitope Olumide Olugbade

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Low resistance and delayed fracture to corrosion, especially in harsh environmental conditions, often limit the wide application of high-manganese (high-Mn) steels. To address this issue, the present work investigates the influence of microalloying on the corrosion properties of high-Mn steels. Microalloyed and base high-Mn steels were synthesized through an arc melting process under an argon atmosphere. To generate different microstructures, the temperature and duration were varied via thermal homogenization treatments. The electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization techniques were used to determine the corrosion properties in 0.6 M NaCl aqueous solution at room temperature. The relationship between the microstructures and corrosion properties was investigated via Scanning Kelvin Probe Microscopy (SKPFM), energy dispersive X-ray spectroscopy (EDX), and Scanning electron microscopy (SEM) techniques. The local corrosion properties were investigated via in situ atomic force spectroscopy (AFM), considering the homogenization treatments. The results indicate that microalloying is a successful technique for enhancing the corrosion behavior of high-Mn steels. Compared to other alloying elements, Vanadium has shown improvement in corrosion properties for both general and local corrosion in chloride environments.

Keywords: corrosion, high-manganese steel, homogenization, microalloying, vanadium

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Authors: Seyyed Feisal Asbaghian Namin, Reza Pilafkan, Mahmood Kaffash Irzarahimi

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TThis paper considers vibration of single-layered graphene sheets using molecular dynamics (MD) and nonlocal elasticity theory. Based on the MD simulations, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), an open source software, is used to obtain fundamental frequencies. On the other hand, governing equations are derived using nonlocal elasticity and first order shear deformation theory (FSDT) and solved using generalized differential quadrature method (GDQ). The small-scale effect is applied in governing equations of motion by nonlocal parameter. The effect of different side lengths, boundary conditions and nonlocal parameter are inspected for aforementioned methods. Results are obtained from MD simulations is compared with those of the nonlocal elasticity theory to calculate appropriate values for the nonlocal parameter. The nonlocal parameter value is suggested for graphene sheets with various boundary conditions. Furthermore, it is shown that the nonlocal elasticity approach using classical plate theory (CLPT) assumptions overestimates the natural frequencies.

Keywords: graphene sheets, molecular dynamics simulations, fundamental frequencies, nonlocal elasticity theory, nonlocal parameter

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Authors: Hasna Soli

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The main objective of this work is the extraction of sulfur from gypsum here is industrial waste. Indeed the sulfuric acid production, passing through the following process; melting sulfur, filtration of the liquid sulfur, sulfur combustion to produce SO₂, conversion of SO₂ to SO₃ and SO₃ absorption in water to produce H₂SO₄ product as waste CaSO₄ the anhydrous calcium sulfate. The main objectives of this work are improving the industrial practices and to find other ways to manage these solid wastes. It should also assess the consequences of treatment in terms of training and become byproducts. Firstly there will be a characterization of this type of waste by an X-ray diffraction; to obtain phase solid compositions and chemical analysis; gravimetrically and atomic absorption spectrometry or by ICP. The samples are mineralized in suitable acidic or basic solutions. The elements analyzed are CaO, Sulfide (SO₃), Al₂O₃, Fe₂O₃, MgO, SiO₂. Then an analysis by EDS energy dispersive spectrometry using an Oxford EDX probe and differential thermal and gravimetric analyzes. Gypsum’s valuation will be performed. Indeed, the CaSO₄ will be reused to produce sulfuric acid, which will be reintroduced into the production line. The second approach explored in this work is the thermal utilization of solid waste to remove sulfur as a dilute sulfuric acid solution.

Keywords: environment, gypsum, sulfur, waste

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Authors: Marwan Jarrah

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This research paper provides two pieces of phonological and syntactic evidence from Arabic for biolinguistics perspective of language processing. The first piece of evidence concerns the instances where a singular noun is converted to a plural noun in Arabic. Based on the findings of several research papers, this study shows that a singular word does not lose any of its moras when it is pluralized either regularly or irregularly. This mora conservation principle complies with the general physical law of the conservation of mass which states that mass is neither created nor destroyed but changed from one form into another. The second piece of evidence concerns the observation that when the object in some Arabic dialects including Jordanian Arabic and Najdi Arabic is a topic and positioned in situ (i.e. after the verb), the verb agrees with it, something that generates an agreeing inflection marker of the verb that agrees in Number, Person, and Gender with the in-situ topicalized object. This interaction between the verb and the object in such cases is invoked because of the extra feature the object bears, i.e. TOPIC feature. We suggest that such an interaction complies with the general natural law that elements become active when they, e.g., get an additional electron, when the mass number is not equal to the atomic number.

Keywords: biolinguistics, Arabic, physics, interaction

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Authors: Li Qian, Jinchao Tong, Daohua Zhang, Weijun Fan, Fei Suo

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Photonic applications based on group IV semiconductors have always been an interest but also a challenge for the research community. We report manufacturing group IV Ge₁₋ₓSnₓ alloys with tuneable energy band gap on (100) GaAs substrate by a modified radio frequency magnetron co-sputtering. Images were taken by atomic force microscope, and scanning electron microscope clearly demonstrates a smooth surface profile, and Ge₁₋ₓSnₓ nano clusters are with the size of several tens of nanometers. Transmittance spectra were measured by Fourier Transform Infrared Spectroscopy that showed changing energy gaps with the variation in elementary composition. Calculation results by 8-band k.p method are consistent with measured gaps. Our deposition system realized direct growth of Ge₁₋ₓSnₓ thin film on GaAs (100) substrate by sputtering. This simple deposition method was modified to be able to grow high-quality photonic materials with tuneable energy gaps. This work provides an alternative and successful method for fabricating Group IV photonic semiconductor materials.

Keywords: GeSn, crystal growth, sputtering, photonic

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Authors: Somayeh Azizi, Mohammad Hossein Ehsani, Amir Zareidoost

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In this research, a technique has been developed to reduce the corrosion rate of magnesium (Mg) metal by creating Zr-Nb thin film coatings. In this regard, thin-film coatings of niobium (Nb) zirconium (Zr) double alloy are applied on pure Mg specimens under different processes conditions, such as the change of the substrate temperature, substrate bias, and coating thickness using the magnetron sputtering method. Then, deposited coatings are analyzed in terms of surface features via field-emission scanning electron microscopy (FE-SEM), thin-layer X-ray diffraction (GI-XRD), energy-dispersive X-ray spectroscopy (EDS), atomic force microscopy (AFM), and corrosion tests. Also, nano-scratch tests were carried out to investigate the adhesion of the thin film. The results showed that the (Zr-Nb) thin films could control the degradation rate of Mg in the simulated body fluid (SBF). The nano-scratch studies depicted that the (Zr-Nb) thin films have a proper adhesion with the Mg substrate. Therefore, this technique could be used to enhance the corrosion resistance of bare Mg and could result in improving the performance of the biodegradable Mg implant for orthopedic applications.

Keywords: (Zr-Nb) thin film, magnetron sputtering, biodegradable Mg, degradation rate

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Authors: Sang-Wook Han, Zhenlan Jin, In-Hui Hwang, Chang-In Park

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We examined structural and electrical properties of uniformly-oriented VO₂/ZnO nanostructures. VO₂ was deposited on ZnO templates by using a direct current-sputtering deposition. Scanning electron microscope and transmission electron microscope measurements indicated that b-oriented VO₂ were uniformly crystallized on ZnO templates with different lengths. VO₂/ZnO formed nanorods on ZnO nanorods with length longer than 250 nm. X-ray absorption fine structure at V K edge of VO₂/ZnO showed M1 and R phases of VO₂ at 30 and 100 ℃, respectively, suggesting structural phase transition between temperatures. Temperature-dependent resistance measurements of VO₂/ZnO nanostructures revealed metal-to-insulator transition at 65 ℃ and 55 ℃ during heating and cooling, respectively, regardless of ZnO length. The bond lengths of V-O and V-V pairs in VO₂/ZnO nanorods were somewhat distorted, and a substantial amount of structural disorder existed in the atomic pairs, compared to those of VO₂ films without ZnO. Resistance from VO₂/ZnO nanorods revealed a sharp MIT near 65 ℃ during heating and a hysteresis behavior. The resistance results suggest that microchannel for charge carriers exist nearly room temperature during cooling. VO₂/ZnO nanorods are quite stable and reproducible so that they can be widely used for practical applications to electronic devices, gas sensors, and ultra-fast switches, as examples.

Keywords: metal-to-insulator transition, VO₂, ZnO, XAFS, structural-phase transition

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Authors: Cho-Liang Chung

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Uniform and rapid drug release are important for trauma dressing application. Low glass transition polymer system and non-woven nanofiber structures as the designs conduct rapid-release characteristics. In this study, polyvinylpyrrolidone, polysulfone, and polystyrene were dissolved in dimethylformamide to form precursor solution. These solutions were blended with vitamin C to form the electrospinning solutions. The non-woven nanofibers structures were successfully prepared using an electrospinning process. The following instruments were used to analyze the characteristics of non-woven nanofibers structures: Atomic force microscopy (AFM), Field Emission Scanning Electron Microscope (FE-SEM), and X-ray Diffraction (XRD). The AFM was used to scan the nanofibers. 3D Graphics were applied to explore the surface morphology of nanofibers. FE-SEM was used to explore the morphology of non-woven structures. XRD was used to identify crystal structures in the non-woven structures. The evolution of morphology of non-woven structures was changed dramatically in different durations, because of the moisture absorption and decreasing glass transition temperature; the non-woven nanofiber structures can be applied to uniform and rapid drug release for trauma dressing application.

Keywords: nanofibers, non-woven, electrospinning process, rapid drug releasing

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Authors: Subhojyoti Chatterjee, Peter J. Mahon, Feng Wang

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Resveratrol (RvL), a phenolic compound, is a key ingredient in wine and tomatoes that has been studied over the years because of its important bioactivities such as anti-oxidant, anti-aging and antimicrobial properties. Out of the two isomeric forms of resveratrol i.e. trans and cis, the health benefit is primarily associated with the trans form. Thus, studying the structural properties of the isomers will not only provide an insight into understanding the RvL isomers, but will also help in designing parameters for differentiation in order to achieve 99.9% purity of trans-RvL. In the present study, density function theory (DFT) study is conducted, using the B3LYP/6-311++G** model to explore the through bond and through space intramolecular interactions. Properties such as vibrational spectroscopy (IR and Raman), nuclear magnetic resonance (NMR) spectra, excess orbital energy spectrum (EOES), energy based decomposition analyses (EDA) and Fukui function are calculated. It is discovered that the structure of trans-RvL, although it is C1 non-planar, the backbone non-H atoms are nearly in the same plane; whereas the cis-RvL consists of two major planes of R1 and R2 that are not in the same plane. The absence of planarity gives rise to a H-bond of 2.67Å in cis-RvL. Rotation of the C(5)-C(8) single bond in trans-RvL produces higher energy barriers since it may break the (planar) entire conjugated structure; while such rotation in cis-RvL produces multiple minima and maxima depending on the positions of the rings. The calculated FT-IR spectrum shows very different spectral features for trans and cis-RvL in the region 900 – 1500 cm-1, where the spectral peaks at 1138-1158 cm-1 are split in cis-RvL compared to a single peak at 1165 cm-1 in trans-RvL. In the Raman spectra, there is significant enhancement of cis-RvL in the region above 3000cm-1. Further, the carbon chemical environment (13C NMR) of the RvL molecule exhibit a larger chemical shift for cis-RvL compared to trans-RvL (Δδ = 8.18 ppm) for the carbon atom C(11), indicating that the chemical environment of the C group in cis-RvL is more diverse than its other isomer. The energy gap between highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) is 3.95 eV for trans and 4.35 eV for cis-RvL. A more detailed inspection using the recently developed EOES revealed that most of the large energy differences i.e. Δεcis-trans > ±0.30 eV, in their orbitals are contributed from the outer valence shell. They are MO60 (HOMO), MO52-55 and MO46. The active sites that has been captured by Fukui function (f + > 0.08) are associated with the stilbene C=C bond of RvL and cis-RvL is more active at these sites than in trans-RvL, as cis orientation breaks the large conjugation of trans-RvL so that the hydroxyl oxygen’s are more active in cis-RvL. Finally, EDA highlights the interaction energy (ΔEInt) of the phenolic compound, where trans is preferred over the cis-RvL (ΔΔEi = -4.35 kcal.mol-1) isomer. Thus, these quantum mechanics results could help in unwinding the diversified beneficial activities associated with resveratrol.

Keywords: resveratrol, FT-IR, Raman, NMR, excess orbital energy spectrum, energy decomposition analysis, Fukui function

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Authors: Dechao Meng, Yongqi Dong, Qiyuan Feng, Zhangzhang Cui, Xiang Hu, Haoliang Huang, Genhao Liang, Huanhua Wang, Hua Zhou, Hawoong Hong, Jinghua Guo, Qingyou Lu, Xiaofang Zhai, Yalin Lu

Abstract:

Great efforts have been taken to reveal the intrinsic origins of emerging ferromagnetism (FM) in strained LaCoO₃ (LCO) films. However, some macro magnetic performances of LCO are still not well understood and even controversial, such as magnetic anisotropy. Determining and understanding magnetic anisotropy might help to find the true causes of FM in turn. Perpendicular magnetic anisotropy (PMA) was the first time to be directly observed in high-quality LCO films with different thickness. The in-plane (IP) and out of plane (OOP) remnant magnetic moment ratio of 30 unit cell (u.c.) films is as large as 20. The easy axis lays in the OOP direction with an IP/OOP coercive field ratio of 10. What's more, the PMA could be simply tuned by changing the thickness. With the thickness increases, the IP/OOP magnetic moment ratio remarkably decrease with magnetic easy axis changing from OOP to IP. Such a huge and tunable PMA performance exhibit strong potentials in fundamental researches or applications. What causes PMA is the first concern. More OOP orbitals occupation may be one of the micro reasons of PMA. A cluster-like magnetic domain pattern was found in 30 u.c. with no obvious color contrasts, similar to that of LaAlO₃/SrTiO₃ films. And the nanosize domains could not be totally switched even at a large OOP magnetic field of 23 T. It indicates strong IP characters or none OOP magnetism of some clusters. The IP magnetic domains might influence the magnetic performance and help to form PMA. Meanwhile some possible nonmagnetic clusters might be the reason why the measured moments of LCO films are smaller than the calculated values 2 μB/Co, one of the biggest confusions in LCO films.What tunes PMA seems much more interesting. Totally different magnetic domain patterns were found in 180 u.c. films with cluster magnetic domains surrounded by < 110 > cross-hatch lines. These lines were regarded as structure domain walls (DWs) determined by 3D reciprocal space mapping (RSM). Two groups of in-plane features with fourfold symmetry were observed near the film diffraction peaks in (002) 3D-RSM. One is along < 110 > directions with a larger intensity, which is well match the lines on the surfaces. The other is much weaker and along < 100 > directions, which is from the normal lattice titling of films deposited on cubic substrates. The < 110 > domain features obtained from (103) and (113) 3D-RSMs exhibit similar evolution of the DWs percentages and magnetic behavior. Structure domains and domain walls are believed to tune PMA performances by transform more IP magnetic moments to OOP. Last but not the least, thick films with lots of structure domains exhibit different electrical transport behaviors. A metal-to-insulator transition (MIT) and an angular dependent negative magnetic resistivity were observed near 150 K, higher than FM transition temperature but similar to that of spin-orbital coupling related 1/4 order diffraction peaks.

Keywords: structure domain, magnetic anisotropy, magnetic domain, domain wall, 3D-RSM, strain

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Authors: Azimeh Rajaee, Lingyun Zhao, Shi Wang, Yaqiang Liu

Abstract:

In recent years many studies have been focused on bismuth-based nanoparticles as radiosensitizer and contrast agent in radiation therapy and imaging due to the high atomic number (Z = 82), high photoelectric absorption, low cost, and low toxicity. This study aims to introduce a new multifunctional bismuth-based nanoparticle as a theranostic agent for radiotherapy, computed tomography (CT) and magnetic resonance imaging (MRI). We synthesized bismuth ferrite (BFO, BiFeO3) nanoparticles by sol-gel method and surface of the nanoparticles were modified by Polyethylene glycol (PEG). After proved biocompatibility of the nanoparticles, the ability of them as contract agent in Computed tomography (CT) and magnetic resonance imaging (MRI) was investigated. The relaxation time rate (R2) in MRI and Hounsfield unit (HU) in CT imaging were increased with the concentration of the nanoparticles. Moreover, the effect of nanoparticles on dose enhancement in low energy was investigated by clonogenic assay. According to clonogenic assay, sensitizer enhancement ratios (SERs) were obtained as 1.35 and 1.76 for nanoparticle concentrations of 0.05 mg/ml and 0.1 mg/ml, respectively. In conclusion, our experimental results demonstrate that the multifunctional nanoparticles have the ability to employ as multimodal imaging and therapy to enhance theranostic efficacy.

Keywords: molecular imaging, nanomedicine, radiotherapy, theranostics

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Authors: Hui-Yun Cao, Hai-Qing Zhou

Abstract:

The high precision measurements and experiments play more and more important roles in particle physics and atomic physics. To analyse the precise experimental data sets, the corresponding precise and reliable theoretical calculations are necessary. Until now, the form factors of elemental constituents such as pion and proton are still attractive issues in current Quantum Chromodynamics (QCD). In this work, the two-photon-exchange (TPE) effects in ep→enπ⁺ at small -t are discussed within a hadronic model. Under the pion dominance approximation and the limit mₑ→0, the TPE contribution to the amplitude can be described by a scalar function. We calculate TPE contributions to the amplitude, and the unpolarized differential cross section with the only elastic intermediate state is considered. The results show that the TPE corrections to the unpolarized differential cross section are about from -4% to -20% at Q²=1-1.6 GeV². After considering the TPE corrections to the experimental data sets of unpolarized differential cross section, we analyze the TPE corrections to the separated cross sections σ(L,T,LT,TT). We find that the TPE corrections (at Q²=1-1.6 GeV²) to σL are about from -10% to -30%, to σT are about 20%, and to σ(LT,TT) are much larger. By these analyses, we conclude that the TPE contributions in ep→enπ⁺ at small -t are important to extract the separated cross sections σ(L,T,LT,TT) and the electromagnetic form factor of π⁺ in the experimental analysis.

Keywords: differential cross section, form factor, hadronic, two-photon

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Authors: ChoLiang Chung, YuMin Chen

Abstract:

C-doped TiO2 nanofibers were prepared by electrospinning successfully. Different amounts of carbon were added into the nanofibers by using chitosan, aiming to shift the wave length that is required to excite the photocatalyst from ultraviolet light to visible light. Different amounts of carbon and different atmosphere fibers were calcined at 500oC, and the optical characteristic of C-doped TiO2 nanofibers had been changed. characterizes of nanofibers were identified by X-Ray Diffraction (XRD), Field Emission Scanning Electron Microscope (FE-SEM), UV-vis, Atomic Force Microscope (AFM), and Fourier Transform Infrared Spectroscopy (FTIR). The XRD is used to identify the phase composition of nanofibers. The morphology of nanofibers were explored by FE-SEM and AFM. Optical characteristics of absorption were measured by UV-Vis. Three dimension surface images of C-doped TiO2 nanofibers revealed different effects of processing. The results of XRD showed that the phase of C-doped TiO2 nanofibers transformed to rutile phase and anatase phase successfully. The results of AFM showed that the surface morphology of nanofibers became smooth after high temperature treatment. Images from FE-SEM revealed the average size of nanofibers. UV-vis results showed that the band-gap of TiO2 were reduced. Finally, we found out C-doped TiO2 nanofibers can change countenance of nanofiber and make it smoother.

Keywords: carbon, TiO2, chitosan, electrospinning

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Authors: Ali Oveysi Sarabi

Abstract:

The dimensions of nanostructures are in the range of inter-atomic spacing of the structures which makes them impossible to be modeled as a continuum. Nanoscale size-effects on vibration analysis of nanobeams embedded in an elastic medium is investigated using different types of beam theory. To this end, Eringen’s nonlocal elasticity is incorporated to various beam theories namely as Euler-Bernoulli beam theory (EBT), Timoshenko beam theory (TBT), Reddy beam theory (RBT), and Levinson beam theory (LBT). The surrounding elastic medium is simulated with both Winkler and Pasternak foundation models and the difference between them is studies. Explicit formulas are presented to obtain the natural frequencies of nanobeam corresponding to each nonlocal beam theory. Selected numerical results are given for different values of the non-local parameter, Winkler modulus parameter, Pasternak modulus parameter and aspect ratio of the beam that imply the effects of them, separately. It is observed that the values of natural frequency are strongly dependent on the stiffness of elastic medium and the value of the non-local parameter and these dependencies varies with the value of aspect ratio and mode number.

Keywords: nanobeams, free vibration, nonlocal elasticity, winkler foundation model, Pasternak foundation model, beam theories

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Authors: M. A. Lawal, A. Uzairu, M. S. Sallau

Abstract:

The presence and bioaccumulation of lead (Pb), cadmium (Cd), and chromium (Cr) in blood, urine, nail, and hair samples of electronic repair technicians in Kaduna-Nigeria were assessed using Fast Sequential Atomic Absorption Spectrophotometry. 10 electronic repair technicians from within Kaduna Metropolis volunteered for the pilot study. The mean blood concentrations of Pb, Cd, and Cr in the subjects were 29.33 ± 4.80, 7.78 ± 10.57, and 24.78 ± 21.77 µg/dL, respectively. The mean urine concentrations of Pb, Cd, and Cr were 24.18 ± 2.98, 6.81 ± 10.05, and 14.78 ± 14.20 µg/dL, respectively. Mean nail metal values of 37.13 ± 4.08, 1.00 ± 1.21, and 18.49 ± 12.71 µg/g were obtained for Pb, Cd, and Cr, respectively while mean hair metal values of 39.41 ± 5.63, 1.09 ± 1.14, and 19.13 ± 11.61 µg/g for Pb, Cd, and Cr, respectively. Positive Pearson correlation coefficients were observed between Pb/Cd, Pb/Cr, and Cd/Cr in all samples and they indicate the metals are likely from the same pollution source. The mean concentrations of the metals in all samples were higher than the WHO, ILO, and ACGIH standards, implying the repairers are likely occupationally exposed and are subject to serious health concerns. Social habits like smoking were found to significantly affect the concentrations of these metals. The level of education, use of safety devices, period of exposure, the nature of electronics and the age of the repairers were also found to remarkably affect the concentrations of the metals.

Keywords: bioaccumulation, electronic repair technicians, heavy metals, occupational hazard

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Authors: Escada A. L. A., Pereira C. A., Jorge A. O. C., Alves Claro A. P. R.

Abstract:

In the present work, a susceptibility and efficacy of the Ti–7.5Mo alloy nanotube and Ti–7.5Mo alloy to bacterial biofilm formation after surface treatment was evaluated. The Ti–7.5Mo alloy was obtained in arc furnace under an argon atmosphere. Ingots were then homogenized under vacuum at 1100 ◦C for 86.4 ks to eliminate chemical segregation and after cold worked discs were cutting. Nanotubes were processed using anodic oxidation in 0.25% NH4F electrolyte solution. Biofilms were grown in discs immersed in sterile brain heart infusion broth (BHI) containing 5% sucrose, inoculated with microbial suspension (106 cells/ml) and incubated for 5 days. Next, the discs were placed in tubes with sterile physiological solution 0.9% sodium chloride (NaCl) and sonicated for to disperse the biofilms. Tenfold serial dilutions were carried and aliquots seeded in selective agar, which were then incubated for 48 h. Then, the numbers CFU/ml (log 10) were counted and analyzed statistically. Scanning electron microscopy (SEM) on discs with biofilms groupswas performed, atomic force microscope (AFM) and contact angle. The results show that there is no difference in bacterial adhesion between Ti–7.5Mo alloy nanotube pure titanium and Ti–7.5Mo alloy.

Keywords: biofilm, titanium alloy, brain heart infusion, scanning electron microscopy

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Authors: Aubrey Langeland, Richard Neitzel, Kowit Nambunmee

Abstract:

Electronic waste, ‘e-waste’, refers generally to discarded electronics and electrical equipment, including products from cell phones and laptops to wires, batteries and appliances. While e-waste represents a transformative source of income in low- and middle-income countries, informal e-waste workers use rudimentary methods to recover materials, simultaneously releasing harmful chemicals into the environment and creating a health hazard for themselves and surrounding communities. Valuable materials such as precious metals, copper, aluminum, ferrous metals, plastic and components are recycled from e-waste. However, persistent organic pollutants such as polychlorinated biphenyls (PCBs) and some polybrominated diphenyl ethers (PBDEs), and heavy metals are toxicants contained within e-waste and are of great concern to human and environmental health. The current study seeks to evaluate the environmental contamination resulting from informal e-waste recycling in a predominantly agricultural community in northeastern Thailand. To accomplish this objective, five types of environmental samples were collected and analyzed for concentrations of eight metals commonly associated with e-waste recycling during the period of July 2016 through July 2017. Rice samples from the community were collected after harvest and analyzed using inductively coupled plasma mass spectrometry (ICP-MS) and gas furnace atomic spectroscopy (GF-AS). Soil samples were collected and analyzed using methods similar to those used in analyzing the rice samples. Surface water samples were collected and analyzed using absorption colorimetry for three heavy metals. Environmental air samples were collected using a sampling pump and matched-weight PVC filters, then analyzed using Inductively Coupled Argon Plasma-Atomic Emission Spectroscopy (ICAP-AES). Finally, surface wipe samples were collected from surfaces in homes where e-waste recycling activities occur and were analyzed using ICAP-AES. Preliminary1 results indicate that some rice samples have concentrations of lead and cadmium significantly higher than limits set by the United States Department of Agriculture (USDA) and the World Health Organization (WHO). Similarly, some soil samples show levels of copper, lead and cadmium more than twice the maximum permissible level set by the USDA and WHO, and significantly higher than other areas of Thailand. Surface water samples indicate that areas near e-waste recycling activities, particularly the burning of e-waste products, result in increased levels of cadmium, lead and copper in surface waters. This is of particular concern given that many of the surface waters tested are used in irrigation of crops. Surface wipe samples measured concentrations of metals commonly associated with e-waste, suggesting a danger of ingestion of metals during cooking and other activities. Of particular concern is the relevance of surface contamination of metals to child health. Finally, air sampling showed that the burning of e-waste presents a serious health hazard to workers and the environment through inhalation and deposition2. Our research suggests a need for improved methods of e-waste recycling that allows workers to continue this valuable revenue stream in a sustainable fashion that protects both human and environmental health. 1Statistical analysis to be finished in October 2017 due to follow-up field studies occurring in July and August 2017. 2Still awaiting complete analytic results.

Keywords: e-waste, environmental contamination, informal recycling, metals

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Authors: Rabah Bensaha, Badreeddine Toubal

Abstract:

Un-doped TiO2, Co single doped TiO2 and (Cu-Co) co-doped TiO2 thin films have been growth on silicon substrates by the sol-gel dip coating technique. We mainly investigated both effects of the dopants and annealing temperature on the structural, optical and electrical properties of TiO2 films using X-ray diffraction (XRD), Raman and FTIR spectroscopy, Atomic force microscopy (AFM), Scanning electron microscopy (SEM), UV–Vis spectroscopy. The chemical compositions of Co-doped and (Cu-Co) co-doped TiO2 films were confirmed by XRD, Raman and FTIR studies. The average grain sizes of CoTiO3-TiO2 nanocomposites were increased with annealing temperature. AFM and SEM reveal a completely the various nanostructures of CoTiO3-TiO2 nanocomposites thin films. The films exhibit a high optical reflectance with a large band gap. The highest electrical conductivity was obtained for the (Cu-Co) co-doped TiO2 films. The polyhedral surface morphology might possibly improve the surface contact between particle sizes and then contribute to better electron mobility as well as conductivity. The obtained results suggest that the prepared TiO2 films can be used for optoelectronic applications.

Keywords: sol-gel, TiO2 thin films, CoTiO3-TiO2 nanocomposites films, Electrical conductivity

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