Search results for: Atoms in molecules

Authors: Nader Nabhani, Amir Tofighi

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Nanotechnology is the science of creating, using and manipulating objects which have at least one dimension in range of 0.1 to 100 nanometers. In other words, nanotechnology is reconstructing a substance using its individual atoms and arranging them in a way that is desirable for our purpose. The main reason that nanotechnology has been attracting attentions is the unique properties that objects show when they are formed at nano-scale. These differing characteristics that nano-scale materials show compared to their nature-existing form is both useful in creating high quality products and dangerous when being in contact with body or spread in environment. In order to control and lower the risk of such nano-scale particles, the main following three topics should be considered: 1) First of all, these materials would cause long term diseases that may show their effects on body years after being penetrated in human organs and since this science has become recently developed in industrial scale not enough information is available about their hazards on body. 2) The second is that these particles can easily spread out in environment and remain in air, soil or water for very long time, besides their high ability to penetrate body skin and causing new kinds of diseases. 3) The third one is that to protect body and environment against the danger of these particles, the protective barriers must be finer than these small objects and such defenses are hard to accomplish. This paper will review, discuss and assess the risks that human and environment face as this new science develops at a high rate.

Keywords: Nanotechnology, risk assessment, environment.

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Authors: S. A. Kondratyev, O. I. Ibragimova

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The authors discuss the collecting abilities of desorbable species (DS) of saturated fatty acids. The DS species of the reagent are understood as species capable of moving from the surface of the mineral particle to the bubble at the moment of the rupture of the interlayer of liquid separating these objects of interaction. DS species of carboxylic acids (molecules and ionic-molecular complexes) have the ability to spread over the surface of the bubble. The rate of their spreading at pH 7 and 10 over the water surface is determined. The collectibility criterion of saturated fatty acids is proposed. The values of forces exerted by the spreading DS species of reagents on liquid in the interlayer and the liquid flow rate from the interlayer are determined.

Keywords: Criterion of action of physically adsorbed reagent, flotation, saturated fatty acids, surface pressure.

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Authors: A. Bahrampour, A. Iadicicco, G. De Luca, M. Giordano, A. Cutolo, L. Monsù Scolaro, A. Cusano

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In this work we report on preliminary analysis of a novel optoelectronic gas sensor based on an optical fiber integrated with a tetrakis(4-sulfonatophenyl)porphyrin (TPPS) thin film. The sensitive materials are selectively deposited on the core region of a fiber tip by UV light induced deposition technique. A simple and cheap process which can be easily extended to different porphyrin derivatives. When the TPPS film on the fiber tip is exposed to acid and/or base vapors, dramatic changes occur in the aggregation structure of the dye molecules in the film, from J- to H-type, resulting in a profound modification of their corresponding reflectance spectra. From the achieved experimental results it is evident that the presence of intense and narrow band peaks in the reflected spectra could be monitored to detect hazardous vapors.

Keywords: Optical fiber sensor, Porphyrins, Thin films UV induced deposition, TPPS.

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Authors: J.E. Park, G.R. Kim, D.J. Yoon, C.H. Sin, I.S. Park, T.S. Bea, M.H. Lee

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Carbon nanotubes (CNTs) are attractive because of their excellent chemical durability mechanical strength and electrical properties. Therefore there is interest in CNTs for not only electrical and mechanical application, but also biological and medical application. In this study, the dispersion power of surfactant-treated multiwalled carbon nanotubes (MWCNTs) and their effect on the antibacterial activity were examined. Surfactant was used sodium dodecyl-benzenesulfonate (SDBS). UV-vis absorbance and transmission electron microscopy(TEM) were used to characterize the dispersion of MWCNTs in the aqueous phase, showing that the surfactant molecules had been adsorbed onto the MWCNTs surface. The surfactant-treated MWCNTs exhibited antimicrobial activities to streptococcus mutans. The optical density growth curves and viable cell number determined by the plating method suggested that the antimicrobial activity of surfactant-treated MWCNTs was both concentration and treatment time-dependent.

Keywords: MWCNT, SDBS, surfactant, antibacterial.

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Authors: Azam Bayat, Aref Khalkhali, Ali Reza Mahjoub

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Healthy and viable herbal supplement were prepared from wheat by a green route. This organic biomaterial was named Nutrition Bio-shield Superfood (NBS). The NBS supplement had various vitamins, macro and micro molecules, and ingredients. In this study, 20 small Balb/C labile specimens were used in a weighing 30 ± 5 range. The samples were randomly divided into different groups, then the groups were divided into 5 groups. According to the results of this study, the mean number of white blood cells and neutrophil percentage in the experimental group receiving healthy and live dietary supplement showed a significant increase at the 5% probability level in all three groups received 50, 100 and 150 mg/ kg body weight of the mouse compared to the control group. In general, the dietary supplement increases the level of immunity.

Keywords: Healthy and live herbal supplement, biomaterial, immune system, enhancement.

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Authors: Vincent Lau Chun Fai, Yang Doo Lee, Kyongsoo Lee, Keun-Soo Lee, Shin-Kyung, Byeong-Kwon Ju

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Chemical detection is still a continuous challenge when it comes to designing single-walled carbon nanotube (SWCNT) sensors with high selectivity, especially in complex chemical environments. A perfect example of such an environment would be in thermally oxidized soybean oil. At elevated temperatures, oil oxidizes through a series of chemical reactions which results in the formation of monoacylglycerols, diacylglycerols, oxidized triacylglycerols, dimers, trimers, polymers, free fatty acids, ketones, aldehydes, alcohols, esters, and other minor products. In order to detect the rancidity of oxidized soybean oil, carbon nanotube chemiresistor sensors have been coated with polyethylenimine (PEI) to enhance the sensitivity and selectivity. PEI functionalized SWCNTs are known to have a high selectivity towards strong electron withdrawing molecules. The sensors were very responsive to different oil oxidation levels and furthermore, displayed a rapid recovery in ambient air without the need of heating or UV exposure.

Keywords: Carbon nanotubes, polyethylenimine, sensor, oxidized oil

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Authors: Wei-Lun Hsu, Mon-Jyh Lin, Jyh-Ping Hsu

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The dissolution of spherical particles in liquids is analyzed dynamically. Here, we consider the case the dissolution of solute yields a solute-free solid phase in the outer portion of a particle. As dissolution proceeds, the interface between the undissolved solid phase and the solute-free solid phase moves towards the center of the particle. We assume that there exist two resistances for the diffusion of solute molecules: the resistance due to the solute-free portion of the particle and that due to a surface layer near solid-liquid interface. In general, the equation governing the dynamic behavior of dissolution needs to be solved numerically. However, analytical expressions for the temporal variation of the size of the undissoved portion of a particle and the variation of dissolution time can be obtained in some special cases. The present analysis takes the effect of variable bulk solute concentration on dissolution into account.

Keywords: dissolution of particles, surface layer, shrinking core model, dissolution time.

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Authors: S. Visetpotjanakit, N. Nakkaew

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Determination of ⁹⁰Sr in environmental samples has been widely developed with several radioanlytical methods and radiation measurement techniques since ⁹⁰Sr is one of the most hazardous radionuclides produced from nuclear reactors. Liquid extraction technique using di-(2-ethylhexyl) phosphoric acid (HDEHP) to separate and purify ⁹⁰Y and Cherenkov counting using liquid scintillation counter to determine ⁹⁰Y in secular equilibrium to ⁹⁰Sr was developed and performed at our institute, the Office of Atoms for Peace. The approach is inexpensive, non-laborious, and fast to analyse ⁹⁰Sr in environmental samples. To validate our analytical performance for the accurate and precise criteria, determination of ⁹⁰Sr using the IAEA-TEL-2016-04 ALMERA proficiency test samples were performed for statistical evaluation. The experiment used two spiked tap water samples and one naturally contaminated spruce needles sample from Austria collected shortly after the Chernobyl accident. Results showed that all three analyses were successfully passed in terms of both accuracy and precision criteria, obtaining “Accepted” statuses. The two water samples obtained the measured results of 15.54 Bq/kg and 19.76 Bq/kg, which had relative bias 5.68% and -3.63% for the Maximum Acceptable Relative Bias (MARB) 15% and 20%, respectively. And the spruce needles sample obtained the measured results of 21.04 Bq/kg, which had relative bias 23.78% for the MARB 30%. These results confirm our analytical performance of ⁹⁰Sr determination in water and spruce needles samples using the same developed method.

Keywords: ALMERA proficiency test, Cherenkov counting, determination of 90Sr, environmental samples.

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Authors: Xiaoli Shen, Yuehui Chen

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Interactions among proteins are the basis of various life events. So, it is important to recognize and research protein interaction sites. A control set that contains 149 protein molecules were used here. Then 10 features were extracted and 4 sample sets that contained 9 sliding windows were made according to features. These 4 sample sets were calculated by Radial Basis Functional neutral networks which were optimized by Particle Swarm Optimization respectively. Then 4 groups of results were obtained. Finally, these 4 groups of results were integrated by decision fusion (DF) and Genetic Algorithm based Selected Ensemble (GASEN). A better accuracy was got by DF and GASEN. So, the integrated methods were proved to be effective.

Keywords: protein interaction sites, features, sliding windows, radial basis functional neutral networks, genetic algorithm basedselected ensemble.

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Authors: Gulten Yilmaz, A. Beril Tugrul, Mustafa Demir, Dogan Yasar, Bayram Demir, Bulent Buyuk

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A Positron Emission Tomography (PET) is a radioisotope imaging technique that illustrates the organs and the metabolisms of the human body. This technique is based on the simultaneous detection of 511 keV annihilation photons, annihilated as a result of electrons annihilating positrons that radiate from positron-emitting radioisotopes that enter biological active molecules in the body. This study was conducted on ten patients in an effort to conduct patient-related experimental studies. Dosage monitoring for the bladder, which was the organ that received the highest dose during PET applications, was conducted for 24 hours. Assessment based on measuring urination activities after injecting patients was also a part of this study. The MIRD method was used to conduct dosage calculations for results obtained from experimental studies. Results obtained experimentally and theoretically were assessed comparatively.

Keywords: PET/CT, TLD, MIRD, Dose measurement, Patient doses.

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Authors: Khawtar Hasan Ahmed, Sasha Omanovic

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Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in combination with electrochemistry, was employed to study the influence of surface charge (potential) on the kinetics of bovine serum albumin (BSA) adsorption on a biomedical-grade 316LVM stainless steel surface is discussed. The BSA adsorption kinetics was found to greatly depend on the surface potential. With an increase in surface potential towards more negative values, both the BSA initial adsorption rate and the equilibrium (saturated) surface concentration also increased. Both effects were explained on the basis of replacement of well-ordered water molecules at the 316LVM / solution interface, i.e. by the increase in entropy of the system.

Keywords: adsorption, biomedical grade stainless steel, bovine serum albumin (BSA), electrode surface potential / charge, kinetics, PM-IRRAS, protein/surface interactions

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Authors: S. Visetpotjanakit, C. Khrautongkieo

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Radiation monitoring in the environment and foodstuffs is one of the main responsibilities of Office of Atoms for Peace (OAP) as the nuclear regulatory body of Thailand. The main goal of the OAP is to assure the safety of the Thai people and environment from any radiological incidents. Various radioanalytical methods have been developed to monitor radiation and radionuclides in the environmental and foodstuff samples. To validate our analytical performance, several proficiency test exercises from the International Atomic Energy Agency (IAEA) have been performed. Here, the results of a proficiency test exercise referred to as the Proficiency Test for Tritium, Cobalt, Strontium and Caesium Isotopes in Seawater 2017 (IAEA-RML-2017-01) are presented. All radionuclides excepting ³H were analysed using various radioanalytical methods, i.e. direct gamma-ray counting for determining ⁶⁰Co, ¹³⁴Cs and ¹³⁷Cs and developed radiochemical techniques for analysing ¹³⁴Cs, ¹³⁷Cs using AMP pre-concentration technique and 90Sr using di-(2-ethylhexyl) phosphoric acid (HDEHP) liquid extraction technique. The analysis results were submitted to IAEA. All results passed IAEA criteria, i.e. accuracy, precision and trueness and obtained ‘Accepted’ statuses. These confirm the data quality from the OAP environmental radiation laboratory to monitor radiation in the environment.

Keywords: International atomic energy agency, proficiency test, radiation monitoring, seawater.

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Authors: Kuniyasu Soda

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Surgical trauma seems to facilitate metastatic spread, although the underlying mechanisms are not known. Increased concentrations of polyamines (spermine and spermidine) in the blood seem to have associated with the enhanced malignant potential of cancer cells and decrease in anti-tumor immunity of cancer patients. In addition to de novo synthesis in rapidly growing cells such as normal regenerating cells and cancer cells, cells can take up polyamines from extra-cellular sources. We have shown that increased polyamine concentration results in decreases in cytokine production and expression of adhesion molecules involved in anti-tumor immunity, such as CD11a. And, immune cells in an environment with increased polyamine levels lose anti-tumor immune functions, such as lymphokine activated killer cell (LAK) activities. Because blood polyamine levels are increased in post-surgical patients, polyamine seems to have roles on post-traumatic tumor spread.

Keywords: Immune function, LAK, Polyamine, Surgical trauma.

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Authors: I-Huan Chiu, Kazuhiko Ninomiya, Shin’ichiro Takeda, Meito Kajino, Miho Katsuragawa, Shunsaku Nagasawa, Atsushi Shinohara, Tadayuki Takahashi, Ryota Tomaru, Shin Watanabe, Goro Yabu

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In recent years, a nondestructive elemental analysis method based on muonic X-ray measurements has been developed and applied for various samples. Muonic X-rays are emitted after the formation of a muonic atom, which occurs when a negatively charged muon is captured in a muon atomic orbit around the nucleus. Because muonic X-rays have a higher energy than electronic X-rays due to the muon mass, they can be measured without being absorbed by a material. Thus, estimating the two-dimensional (2D) elemental distribution of a sample became possible using an X-ray imaging detector. In this work, we report a non-destructive imaging experiment using muonic X-rays at Japan Proton Accelerator Research Complex. The irradiated target consisted of a polypropylene material, and a double-sided silicon strip detector, which was developed as an imaging detector for astronomical obervation, was employed. A peak corresponding to muonic X-rays from the carbon atoms in the target was clearly observed in the energy spectrum at an energy of 14 keV, and 2D visualizations were successfully reconstructed to reveal the projection image from the target. This result demonstrates the potential of the nondestructive elemental imaging method that is based on muonic X-ray measurement. To obtain a higher position resolution for imaging a smaller target, a new detector system will be developed to improve the statistical analysis in further research.

Keywords: DSSD, muon, muonic X-ray, imaging, non-destructive analysis

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Authors: Zuwairie Ibrahim, Yusei Tsuboi, Osamu Ono, Marzuki Khalid

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Deoxyribonucleic Acid or DNA computing has emerged as an interdisciplinary field that draws together chemistry, molecular biology, computer science and mathematics. Thus, in this paper, the possibility of DNA-based computing to solve an absolute 1-center problem by molecular manipulations is presented. This is truly the first attempt to solve such a problem by DNA-based computing approach. Since, part of the procedures involve with shortest path computation, research works on DNA computing for shortest path Traveling Salesman Problem, in short, TSP are reviewed. These approaches are studied and only the appropriate one is adapted in designing the computation procedures. This DNA-based computation is designed in such a way that every path is encoded by oligonucleotides and the path-s length is directly proportional to the length of oligonucleotides. Using these properties, gel electrophoresis is performed in order to separate the respective DNA molecules according to their length. One expectation arise from this paper is that it is possible to verify the instance absolute 1-center problem using DNA computing by laboratory experiments.

Keywords: DNA computing, operation research, 1-center problem.

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Authors: Moustafa Osman Mohammed

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This paper introduces topological order in descried social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. Topological order is important in describing the physical systems for exploiting optical systems and improving photonic devices. The stats of topologically order have some interesting properties of topological degeneracy and fractional statistics that reveal the entanglement origin of topological order, etc. Topological ideas in photonics form exciting developments in solid-state materials, that being; insulating in the bulk, conducting electricity on their surface without dissipation or back-scattering, even in the presence of large impurities. A specific type of autopoiesis system is interrelated to the main categories amongst existing groups of the ecological phenomena interaction social and medical sciences. The hypothesis, nevertheless, has a nonlinear interaction with its natural environment ‘interactional cycle’ for exchange photon energy with molecules without changes in topology (i.e., chemical transformation into products do not propagate any changes or variation in the network topology of physical configuration). The engineering topology of a biosensor is based on the excitation boundary of surface electromagnetic waves in photonic band gap multilayer films. The device operation is similar to surface Plasmonic biosensors in which a photonic band gap film replaces metal film as the medium when surface electromagnetic waves are excited. The use of photonic band gap film offers sharper surface wave resonance leading to the potential of greatly enhanced sensitivity. So, the properties of the photonic band gap material are engineered to operate a sensor at any wavelength and conduct a surface wave resonance that ranges up to 470 nm. The wavelength is not generally accessible with surface Plasmon sensing. Lastly, the photonic band gap films have robust mechanical functions that offer new substrates for surface chemistry to understand the molecular design structure, and create sensing chips surface with different concentrations of DNA sequences in the solution to observe and track the surface mode resonance under the influences of processes that take place in the spectroscopic environment. These processes led to the development of several advanced analytical technologies, which are automated, real-time, reliable, reproducible and cost-effective. This results in faster and more accurate monitoring and detection of biomolecules on refractive index sensing, antibody–antigen reactions with a DNA or protein binding. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other in order to form unique spatial structure and dynamics of biological molecules for providing the environment mutual contribution in investigation of changes due the pathogenic archival architecture of cell clusters.

Keywords: autopoiesis, engineering topology, photonic system molecular structure, biosensor

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

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Authors: Edjere Oghenekohwiroro, Asibor Irabor Godwin, Uwem Bassey

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This paper determines the presence and levels of phthalates in sachet and borehole water source in some parts of Delta State, Nigeria. Sachet and borehole water samples were collected from seven different water packaging facilities and level of phthalates determined using GC-MS instrumentation. Phthalates concentration in borehole samples varied from 0.00-0.01 (DMP), 0.06-0.20 (DEP), 0.10-0.98 (DBP), 0.21-0.36 (BEHP), 0.01-0.03 (DnOP) µg/L and (BBP) was not detectable; while sachet water varied from 0.03-0.95 (DMP), 0.16-12.45 (DEP), 0.57-3.38 (DBP), 0.00-0.03 (BBP), 0.08-0.31 (BEHP) and 0-0.03 (DnOP) µg/L. Phthalates concentration in the sachet water was higher than that of the corresponding boreholes sources and also showed significant difference (p < 0.05) between the two. Sources of these phthalate esters were the interaction between water molecules and plastic storage facilities. Although concentration of all phthalate esters analyzed were lower than the threshold limit value(TLV), over time storage of water samples in this medium can lead to substantial increase with negative effects on individuals consuming them.

Keywords: Phthalate esters, borehole, sachet water, sample extraction, gas chromatography, GC-MS.

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Authors: Jaibir S. Yadav, Dimple, Vinod K. Sharma

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Molar excess Volumes, VE ijk and speeds of sound , uijk of 2-pyrrolidinone (i) + benzene or toluene (j) + ethanol (k) ternary mixture have been measured as a function of composition at 308.15 K. The observed speeds of sound data have been utilized to determine excess isentropic compressiblities, ( E S κ )ijk of ternary (i + j + k) mixtures. Molar excess volumes, VE ijk and excess isentropic compressibilities, ( E S κ )ijk data have fitted to the Redlich-Kister equation to calculate ternary adjustable parameters and standard deviations. The Moelywn-Huggins concept (Huggins in Polymer 12: 389-399, 1971) of connectivity between the surfaces of the constituents of binary mixtures has been extended to ternary mixtures (using the concept of a connectivity parameter of third degree of molecules, 3ξ , which inturn depends on its topology) to obtain an expression that describes well the measured VE ijk and ( E S κ )ijk data.

Keywords: Connectivity parameter of third degree, 3ξ, Excess isentropic compressibilities, ( ES κ )ijk, Interaction energy parameter, χ, Molar excess volumes, VEijk, Speeds of sound, uijk.

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Authors: Magda Bădescu, Daniela Jitaru, C.Grigoraş, L.Bădescu, I. Topala, Manuela Ciocoiu

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The purpose of our study was to compare spontaneous re-epithelisation characteristics versus assisted re-epithelisation. In order to assess re-epithelisation of the injured skin, we have imagined and designed a burn wound model on Wistar rat skin. Our aim was to create standardised, easy reproducible and quantifiable skin lesions involving entire epidermis and superficial dermis. We then have applied the above mentioned therapeutic strategies to compare regeneration of epidermis and dermis, local and systemic parameter changes in different conditions. We have enhanced the reepithelisation process under a moist atmosphere of a polyurethane wound dress modified with helium non-thermal plasma, and with the aid of direct cold-plasma treatment respectively. We have followed systemic parameters change: hematologic and biochemical parameters, and local features: oxidative stress markers and histology of skin in the above mentioned conditions. Re-epithelisation is just a part of the skin regeneration process, which recruits cellular components, with the aid of epidermal and dermal interaction via signal molecules.

Keywords: Plasma medicine, re-epithelisation and tissue regeneration

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Authors: Chihhao Fan, Ming-Chu Liao

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The purpose of this study is to investigate the chemical degradation of the organophosphorus pesticide of parathion and carbamate insecticide of methomyl in the aqueous phase through Fenton process. With the employment of batch Fenton process, the degradation of the two selected pesticides at different pH, initial concentration, humic acid concentration, and Fenton reagent dosages was explored. The Fenton process was found effective to degrade parathion and methomyl. The optimal dosage of Fenton reagents (i.e., molar concentration ratio of H2O2 to Fe2+) at pH 7 for parathion degradation was equal to 3, which resulted in 50% removal of parathion. Similarly, the optimal dosage for methomyl degradation was 1, resulting in 80% removal of methomyl. This study also found that the presence of humic substances has enhanced pesticide degradation by Fenton process significantly. The mass spectroscopy results showed that the hydroxyl free radical may attack the single bonds with least energy of investigated pesticides to form smaller molecules which is more easily to degrade either through physio-chemical or bilolgical processes.

Keywords: Fenton Process, humic acid, methomyl, parathion, pesticides

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Authors: S. F. H. Tasfy, N. A. M. Zabidi, M. S. Shaharun

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Carbon dioxide is highly thermochemical stable molecules where it is very difficult to activate the molecule and achieve higher catalytic conversion into alcohols or other hydrocarbon compounds. In this paper, series of the bimetallic Cu/ZnO-based catalyst supported by SBA-15 were systematically prepared via impregnation technique with different Cu: Zn ratio for hydrogenation of CO₂ to methanol. The synthesized catalysts were characterized by transmission electron microscopy (TEM), temperature programmed desorption, reduction, oxidation and pulse chemisorption (TPDRO), and surface area determination was also performed. All catalysts were tested with respect to the hydrogenation of CO₂ to methanol in microactivity fixed-bed reactor at 250^oC, 2.25 MPa, and H₂/CO₂ ratio of 3. The results demonstrate that the catalytic structure, activity, and methanol selectivity was strongly affected by the ratio between Cu: Zn, Where higher catalytic activity of 14 % and methanol selectivity of 92 % was obtained over Cu/ZnO-SBA-15 catalyst with Cu:Zn ratio of 7:3 wt. %. Comparing with the single catalyst, the synergetic between Cu and Zn provides additional active sites to adsorb more H₂ and CO₂ and accelerate the CO₂ conversion, resulting in higher methanol production under mild reaction conditions.

Keywords: Hydrogenation of carbon dioxide, methanol synthesis, Cu/ZnO-based catalyst, mesoporous silica (SBA-15), and metal ratio.

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Authors: Nawapat Detduangchan, Thawien Wittaya

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Photo-crosslinked rice starch-based biodegradable films were prepared by casting film-solution on leveled trays and ultra violet (UV) irradiation was applied for 10 minute. The effect of the content (3%, 6% and 9 wt. %)of photosensitiser (sodium benzoate) on mechanical properties, water vapor permeability (WVP) and structural properties of rice starch films were investigated. The tensile strength increased while elongation at break and water resistance properties of rice starch films decreased with addition and increasing content of photosensitiser. The % crystallinity of rice starch films were decreased when the content of photosensitiser increased and UV were applied. The results showed that the carboxylate group band of sodium benzoate was found in the FTIR spectrum of rice starch films and found that incorporation of 6% of photosensitiser into the films showed a higher absorption band of resulted films. This result pointed out the highest interaction between starch molecules was occurred.

Keywords: Biodegradable film, Rice starch, UV treatment, Photosensitiser, Photo-crosslink

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Authors: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov

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The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.

Keywords: Refractometric method, dielectric constant, molecular dynamics, aqueous solution.

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Authors: Mária Stachová, Lukáš Sobíšek

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Data mining incorporates a group of statistical methods used to analyze a set of information, or a data set. It operates with models and algorithms, which are powerful tools with the great potential. They can help people to understand the patterns in certain chunk of information so it is obvious that the data mining tools have a wide area of applications. For example in the theoretical chemistry data mining tools can be used to predict moleculeproperties or improve computer-assisted drug design. Classification analysis is one of the major data mining methodologies. The aim of thecontribution is to create a classification model, which would be able to deal with a huge data set with high accuracy. For this purpose logistic regression, Bayesian logistic regression and random forest models were built using R software. TheBayesian logistic regression in Latent GOLD software was created as well. These classification methods belong to supervised learning methods. It was necessary to reduce data matrix dimension before construct models and thus the factor analysis (FA) was used. Those models were applied to predict the biological activity of molecules, potential new drug candidates.

Keywords: data mining, classification, drug design, QSAR

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Authors: Mehdi Shamshiri, Mahmud Ashrafizaadeh

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The significant effects of the interactions between the system boundaries and the near wall molecules in miniaturized gaseous devices lead to the formation of the Knudsen layer in which the Navier-Stokes-Fourier (NSF) equations fail to predict the correct associated phenomena. In this paper, the well-known lattice Boltzmann method (LBM) is employed to simulate the fluid flow and heat transfer processes in rarefied gaseous micro media. Persuaded by the problematic deficiency of the LBM in capturing the Knudsen layer phenomena, present study tends to concentrate on the effective molecular mean free path concept the main essence of which is to compensate the incapability of this mesoscopic method in dealing with the momentum and energy transport within the above mentioned kinetic boundary layer. The results show qualitative and quantitative accuracy comparable to the solutions of the linearized Boltzmann equation or the DSMC data for the Knudsen numbers of O (1) .

Keywords: Fluid flow and Heat transfer, Knudsen layer, Lattice Boltzmann method (LBM), Micro-scale numerical simulation, Transition regime.

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Authors: M. Shadmand

Abstract:

The curing process of insulation system for electrical machines plays a determinative role for its durability and reliability. Polar structure of insulating resin molecules and used filler of insulation system can be taken as an occasion to leverage it to enhance overall characteristics of insulation system, mechanically and electrically. The curing process regime for insulating system plays an important role for its mechanical and electrical characteristics by arranging the polymerization of chain structure for resin. In this research, the effect of electrical field application on in-curing insulating system for Global Vacuum Pressurized Impregnation (GVPI) system for traction motor was considered by performing the dissipation factor, polarization and de-polarization current (PDC) and voltage endurance (aging) measurements on sample test objects. Outcome results depicted obvious improvement in mechanical strength of the insulation system as well as higher electrical characteristics with routing and long-time (aging) electrical tests. Coming together, polarization of insulation system during curing process would enhance the machine life time. 

Keywords: Insulation system, GVPI, PDC, aging.

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Authors: K. Bashirnezhad, M. Moghiman, M. Javadi Amoli, F. Tofighi, S. Zabetnia

Abstract:

Results are presented from a combined experimental and modeling study undertaken to understand the effect of fuel spray angle on soot production in turbulent liquid spray flames. The experimental work was conducted in a cylindrical laboratory furnace at fuel spray cone angle of 30º, 45º and 60º. Soot concentrations inside the combustor are measured by filter paper technique. The soot concentration is modeled by using the soot particle number density and the mass density based acetylene concentrations. Soot oxidation occurred by both hydroxide radicals and oxygen molecules. The comparison of calculated results against experimental measurements shows good agreement. Both the numerical and experimental results show that the peak value of soot and its location in the furnace depend on fuel spray cone angle. An increase in spray angle enhances the evaporating rate and peak temperature near the nozzle. Although peak soot concentration increase with enhance of fuel spray angle but soot emission from the furnace decreases.

Keywords: Soot, spray angle, turbulent flames, liquid fuel.

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Authors: Ahmad Fadel Klaib, Zurinahni Zainol, Nurul Hashimah Ahamed, Rosma Ahmad, Wahidah Hussin

Abstract:

Bioinformatics and Cheminformatics use computer as disciplines providing tools for acquisition, storage, processing, analysis, integrate data and for the development of potential applications of biological and chemical data. A chemical database is one of the databases that exclusively designed to store chemical information. NMRShiftDB is one of the main databases that used to represent the chemical structures in 2D or 3D structures. SMILES format is one of many ways to write a chemical structure in a linear format. In this study we extracted Antimicrobial Structures in SMILES format from NMRShiftDB and stored it in our Local Data Warehouse with its corresponding information. Additionally, we developed a searching tool that would response to user-s query using the JME Editor tool that allows user to draw or edit molecules and converts the drawn structure into SMILES format. We applied Quick Search algorithm to search for Antimicrobial Structures in our Local Data Ware House.

Keywords: Exact String-matching Algorithms, NMRShiftDB, SMILES Format, Antimicrobial Structures.

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Authors: Khaled M. Nabil

Abstract:

This paper introduces the Nested Vortexes conception of the universe structure and interprets all the physical phenomena according this conception. The paper first reviews recent physics theories, either in microscopic scale or macroscopic scale, to collect evidence that the space is not empty. But, these theories describe the property of the space medium without determining its structure. Determining the structure of space medium is essential to understand the mechanism that leads to its properties. Without determining the space medium structure, many phenomena; such as electric and magnetic fields, gravity, or wave-particle duality remain uninterpreted. Thus, this paper introduces a conception about the structure of the universe. It assumes that the universe is a medium of ultra-tiny homogeneous particles which are still undiscovered. Like any medium with certain movements, possibly because of a great asymmetric explosion, vortexes have occurred. A vortex condenses the ultra-tiny particles in its center forming a bigger particle, the bigger particles, in turn, could be trapped in a bigger vortex and condense in its center forming a much bigger particle and so on. This conception describes galaxies, stars, protons as particles at different levels. Existing of the particle’s vortexes make the consistency of the speed of light postulate is not true. This conception shows that the vortex motion dynamic agrees with the motion of all the universe particles at any level. An experiment has been carried out to detect the orbiting effect of aggregated vortexes of aligned atoms of a permanent magnet. Based on the described particle’s structure, the gravity force of a particle and attraction between particles as well as charge, electric and magnetic fields and quantum mechanics characteristics are interpreted. All augmented physics phenomena are solved.

Keywords: Astrophysics, cosmology, particles’ structure model, particles’ forces, vortex dynamics.

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