Search results for: quantum chemical methods

Authors: Jean-Francois Feller

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The analysis of the volatolome emitted by the human body with a sensor array (e-nose) is a method for clinical applications full of promises to make an olfactive fingerprint characteristic of people's health state. But the amount of volatile organic compounds (VOC) to detect, being in the range of parts per billion (ppb), and their diversity (several hundred) justifies developing ever more sensitive and selective vapor sensors to improve the discrimination ability of the e-nose, is still of interest. Quantum resistive vapour sensors (vQRS) made with nanostructured conductive polymer nanocomposite transducers have shown a great versatility in both their fabrication and operation to detect volatiles of interest such as cancer biomarkers. However, it has been shown that their chemo-resistive response was highly dependent on the quality of the inter-particular junctions in the percolated architecture. The present work investigates the effectiveness of poly(hedral oligomeric silsesquioxane) acting as a nanospacer to amplify the disconnectability of the conducting network and thus maximize the vQRS's sensitivity to VOC.

Keywords: volatolome, quantum resistive vapour sensor, nanostructured conductive polymer nanocomposites, olfactive diagnosis

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Authors: Sisuwan Kaseamsawat, Sivapan Choo-In

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A study was conducted in May to July 2013 with the aim of determination of heavy metal concentration in orchard area. 60 samples were collected and analyzed for Cadmium (Cd), Copper (Cu), Lead (Pb), and Zinc (Zn) by Atomic Absorption Spectrophotometer (AAS). The heavy metal concentrations in sediment of orchards, that use chemical for Cd (1.13 ± 0.26 mg/l), Cu (8.00 ± 1.05 mg/l), Pb (13.16 ± 2.01) and Zn (37.41 ± 3.20 mg/l). The heavy metal concentrations in sediment of the orchards, that do not use chemical for Cd (1.28 ± 0.50 mg/l), Cu (7.60 ± 1.20 mg/l), Pb (29.87 ± 4.88) and Zn (21.79 ± 2.98 mg/l). Statistical analysis between heavy metal in sediment from the orchard, that use chemical and the orchard, that not use chemical were difference statistic significant of 0.5 level of significant for Cd and Pb while no statistically difference for Cu and Zn.

Keywords: heavy metal, orchard, pollution and monitoring, sediment

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Authors: Prashanta Dhoj Adhikari

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We report the introduction of the active surface functionalization group on chemical vapor deposition (CVD) grown graphene film by wet deposition method. The activity of surface functionalized group was tested with surface modified carbon nanotubes (CNTs) and found that both materials were amalgamated by chemical bonding. The introduction of functional group on the graphene film surface and its vigorous role to bind CNTs with the present technique could provide an efficient, novel route to device fabrication.

Keywords: chemical vapor deposition, graphene film, surface functionalization

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Authors: Manouchehr Amiri

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This article introduces a general notion of physical bit information that is compatible with the basics of quantum mechanics and incorporates the Shannon entropy as a special case. This notion of physical information leads to the Binary data matrix model (BDM), which predicts the basic results of quantum mechanics, general relativity, and black hole thermodynamics. The compatibility of the model with holographic, information conservation, and Landauer’s principles are investigated. After deriving the “Bit Information principle” as a consequence of BDM, the fundamental equations of Planck, De Broglie, Beckenstein, and mass-energy equivalence are derived.

Keywords: physical theory of information, binary data matrix model, Shannon information theory, bit information principle

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Authors: Robert Cazar, Nathaly Maza

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Energy drinks and sports drinks are quite popular among young adults and teenagers worldwide. Some concerns regarding their health effects – particularly those of the energy drinks - have been raised based on scientific findings. Differentiating between these two types of drinks by means of their chemical properties seems to be an instructive task. Chemometrics provides the most appropriate strategy to do so. In this study, a discrimination analysis of the energy and sports drinks has been carried out applying chemometric methods. A set of eleven samples of available commercial brands of drinks – seven energy drinks and four sports drinks – were collected. Each sample was characterized by eight chemical variables (carbohydrates, energy, sugar, sodium, pH, degrees Brix, density, and citric acid). The data set was standardized and examined by exploratory chemometric techniques such as clustering and principal component analysis. As a preliminary step, a variable selection was carried out by inspecting the variable correlation matrix. It was detected that some variables are redundant, so they can be safely removed, leaving only five variables that are sufficient for this analysis. They are sugar, sodium, pH, density, and citric acid. Then, a hierarchical clustering `employing the average – linkage criterion and using the Euclidian distance metrics was performed. It perfectly separates the two types of drinks since the resultant dendogram, cut at the 25% similarity level, assorts the samples in two well defined groups, one of them containing the energy drinks and the other one the sports drinks. Further assurance of the complete discrimination is provided by the principal component analysis. The projection of the data set on the first two principal components – which retain the 71% of the data information – permits to visualize the distribution of the samples in the two groups identified in the clustering stage. Since the first principal component is the discriminating one, the inspection of its loadings consents to characterize such groups. The energy drinks group possesses medium to high values of density, citric acid, and sugar. The sports drinks group, on the other hand, exhibits low values of those variables. In conclusion, the application of chemometric methods on a data set that features some chemical properties of a number of energy and sports drinks provides an accurate, dependable way to discriminate between these two types of beverages.

Keywords: chemometrics, clustering, energy drinks, principal component analysis, sports drinks

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Authors: Diogo Silva, Fadul Rodor, Carlos Moraes

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This work compares the results of multidimensional function approximation using two algorithms: the classical Particle Swarm Optimization (PSO) and the Quantum Particle Swarm Optimization (QPSO). These algorithms were both tested on three functions - The Rosenbrock, the Rastrigin, and the sphere functions - with different characteristics by increasing their number of dimensions. As a result, this study shows that the higher the function space, i.e. the larger the function dimension, the more evident the advantages of using the QPSO method compared to the PSO method in terms of performance and number of necessary iterations to reach the stop criterion.

Keywords: PSO, QPSO, function approximation, AI, optimization, multidimensional functions

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Authors: Sadia Ameen, M. Nazim, Hyumg-Kee Seo, Hyung-Shik Shin

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TiO2 nanotube (NT) arrays were grown on titanium (Ti) foil substrate by electrochemical anodic oxidation and utilized as working electrode to fabricate a highly sensitive and reproducible chemical sensor for the detection of harmful phenyl hydrazine chemical. The fabricated chemical sensor based on TiO2 NT arrays electrode exhibited high sensitivity of ~40.9 µA.mM-1.cm-2 and detection limit of ~0.22 µM with short response time (10s).

Keywords: TiO2 NT, phenyl hydrazine, chemical sensor, sensitivity, electrocatalytic properties

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Authors: Pratikno Hidayat, Khamdan Cahyari

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Hydrogen is the ultimate choice of energy carriers in future. It contents high energy density (42 kJ/g), emits only water vapor during combustion and has high energy conversion up to 50% in fuel cell application. One of the promising methods to produce hydrogen is from organic waste through dark fermentation method. It utilizes sugar-rich organic waste as substrate and hydrogen-producing microorganisms to generate the hydrogen. Solid waste of sago processing industries in Indonesia is one of the promising raw materials for both producing biofuel hydrogen and mitigating the environmental impact due to the waste disposal. This research was meant to investigate the effect of chemical and biological pretreatment i.e. acid treatment and mushroom cultivation toward lignocellulosic waste of these sago industries. Chemical pretreatment was conducted through exposing the waste into acid condition using sulfuric acid (H2SO4) (various molar i.e. 0.2, 0.3, and 0.4 M and various duration of exposure i.e. 30, 60 and 90 minutes). Meanwhile, biological treatment was conducted through utilization of the solid waste as growth media of mushroom (Oyster and Ling-zhi) for 3 months. Dark fermentation was conducted at pH 5.0, temperature 27℃ and atmospheric pressure. It was noticed that chemical and biological pretreatment could improve hydrogen yield with the highest yield at 3.8 ml/g VS (31%v H2). The hydrogen production was successfully performed to generate high percentage of hydrogen, although the yield was still low. This result indicated that the explosion of acid chemical and biological method might need to be extended to improve degradability of the solid waste. However, high percentage of hydrogen was resulted from proper pretreatment of residual sludge of biogas plant to generate hydrogen-producing inoculum.

Keywords: hydrogen, sago waste, chemical, biological, dark fermentation, Indonesia

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Authors: Mohamed Abd Esselem Dems, Souhila Laib, Nadjia Latelli, Nadia Ouddai

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In this work, we have developed QSAR model for Relative Binding Affinity (RBA) of a large diverse set of estradiol among these derivatives, the organometallic derivatives. By dividing the dataset into a training set of 24 compounds and a test set of 6 compounds. The DFT method was used to calculate quantum chemical descriptors and physicochemical descriptors (MR and MLOGP) were performed using E-Dragon. All the validations indicated that the QSAR model built was robust and satisfactory (R2 = 90.12, Q2LOO = 86.61, RMSE = 0.272, F = 60.6473, Q2ext =86.07). We have therefore apply this model to predict the RBA, for two isomers β and α wherein Mn(CO)3 complex with the aromatic ring of estradiol, and the two isomers show little appreciation for the estrogenic receptor (RBAβ = 1.812 and RBAα = 1.741).

Keywords: DFT, estradiol, haptotropic rearrangement, QSAR, relative binding affinity

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Authors: Zellagui Rahima, Chaumont Denis, Boughelout Abderrahman, Adnane Mohamed

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Thin films of CdxZn1-xS were deposed by chemical bath deposition on glass substrates for photovoltaic applications. The thin films CdZnS were synthesized by chemical bath (CBD) with different deposition protocols for optimized the parameter of deposition as the temperature, time of deposition, concentrations of ion and pH. Surface morphology, optical and chemical composition properties of thin film CdZnS were investigated by SEM, EDAX, spectrophotometer. The transmittance is 80% in visible region 300 nm – 1000 nm; it has been observed in that films the grain size is between 50nm and 100nm measured by SEM image and we also note that the shape of particle is changing with the change in concentration. This result favors of application these films in solar cells; the chemical analysis with EDAX gives information about the presence of Cd, Zn and S elements and investigates the stoichiometry.

Keywords: thin film, solar cells, transmition, cdzns

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Authors: Solomon Tilahun Desisa, Muktar Seid Hussen

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Hibiscus macranthus is one of family Malvaceae and genus Hibiscus plant which grows mainly in western part of Ethiopia. Hibiscus macranthus is the most adaptable and abundant plant in the nation, which are used as an ornamental plant often a hedge or fence plant, and used as a firewood after harvesting the stem together with the bark, and used also as a fiber for trying different kinds of things by forming the rope. However, Hibiscus macranthus plant fibre has not been commercially exploited and extracted properly. This study of work describes the possibility of mechanical and retting methods of Hibiscus macranthus fibre extraction and characterization. Hibiscus macranthus fibre is a bast fibre which obtained naturally from the stem or stalks of the dicotyledonous plant since it is a natural cellulose plant fiber. And the fibre characterized by studying its physical and chemical properties. The physical characteristics were investigated as follows, including the length of 100-190mm, fineness of 1.0-1.2Tex, diameter under X100 microscopic view 16-21 microns, the moisture content of 12.46% and dry tenacity of 48-57cN/Tex along with breaking extension of 0.9-1.6%. Hibiscus macranthus fiber productivity was observed that 12-18% of the stem out of which more than 65% is primary long fibers. The fiber separation methods prove to decrease of non-cellulose ingredients in the order of mechanical, water and chemical methods. The color measurement also shows the raw Hibiscus macranthus fiber has a natural golden color according to YID1925 and paler look under both retting methods than mechanical separation. Finally, it is suggested that Hibiscus macranthus fibre can be used for manufacturing of natural and organic crop and coffee packages as well as super absorbent, fine and high tenacity textile products.

Keywords: Hibiscus macranthus, bast fiber, extraction, characterization

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Authors: Felora Rafiei, Shahram Shoaei

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The aim of this studies was to evaluate effect of nitroxin, super nitro plus and biophosphorus on yield and yield components of maize (Zea mays) under different levels of chemical fertilizers in the condition of normal and difficiet irrigation. Experiment laid out as split plot factorial based on randomized complete block design with three replications. Main plots includes two irrigation treatments of 70 (I1), 120(I2) mm evaporation from class A pan. Sub plots were biological fertilizer and chemical fertilizer as factorial biological fertilizer consisting of nitroxin: Azospirillium lipoferum, Azospirillium brasilens, Azotobacter chroococcum Azotobacter agilis (108 CFU ml-1) (B1), super nitro plus (Azospirillium spp, + Pseudomonas fluorescence + Bacillus subtilis (108 CFU ml-1) + biological fungicide) (B2), biophosphorus (Pseudomonas spp + Bacillus spp (107 CFU ml-1) (B3), and chemical fertilizer consisting of NPK (C1), N5oP5oK5o (C2) and NoPoKo (C3).The results showed that usage of biological fertilizer have positive effects on chemical fertilizers use efficiency and tolerance to drought stress in maize. Also with use of biological fertilizer can decrease usage of chemical fertilizers.

Keywords: biological fertilizer, chemical fertilizer, yield component, yield, corn

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Authors: A. Abdikian

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Using the linearized quantum hydrodynamic model (QHD) and by considering the role of quantum parameter (Bohm’s potential) and electron exchange-correlation potential in conjunction with Maxwell’s equations, electromagnetic wave propagation in a single-walled carbon nanotubes was studied. The electronic excitations are described. By solving the mentioned equations with appropriate boundary conditions and by assuming the low-frequency electromagnetic waves, two general expressions of dispersion relations are derived for the transverse magnetic (TM) and transverse electric (TE) modes, respectively. The dispersion relations are analyzed numerically and it was found that the dependency of dispersion curves with the exchange-correlation effects (which have been ignored in previous works) in the low frequency would be limited. Moreover, it has been realized that asymptotic behaviors of the TE and TM modes are similar in single wall carbon nanotubes (SWCNTs). The results show that by adding the function of electron exchange-correlation potential lead to the phenomena and make to extend the validity range of QHD model. The results can be important in the study of collective phenomena in nanostructures.

Keywords: transverse magnetic, transverse electric, quantum hydrodynamic model, electron exchange-correlation potential, single-wall carbon nanotubes

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Authors: Adejo Andrew Ojonugwa, Jomboh Jeff Kator, Garkida Adele Dzikwi

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This study investigates the behaviour of textured glass coat to chemical reactions upon application. Samples of textured glass coat developed from mixed post consumer glass were subjected to pH test (ASTM D5464), Chemical resistance test (ASTM D3260 and D1308), Adhesion test (ASTM D3359), and Abrasion test (ASTM D4060). Results shows a pH of 8.50, Chemical resistance of 5% flick rate when reacted with Sodium hydroxide (NaOH), a 3%, 5%, 10%, and 15% discolouration when reacted with Magnesium hydroxide (Mg(OH)2), Hydrogen fluoride (HF), Potassium hydroxide (KOH) and NaOH respectively, an adhesion of 4A and abrasion of 0.2g. The results confirm that the developed textured glass coat is in line with the standard pH range of 8-9, resistant to acid and base except for HF, NaOH, and Mg(OH)₂, good adhesion and abrasion properties, thereby making the coat resistant to chemical degradation and a good engineering material.

Keywords: chemical durability, glass-coat, building, recycling

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Authors: Surajit Chattopadhyay

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Accelerated expansion of the current universe is well-established in the literature. Dark energy and modified gravity are two approaches to account for this accelerated expansion. In the present work, we consider scalar field models of dark energy, namely, tachyon and DBI essence in the framework of chameleon Brans-Dicke cosmology. The equation of state parameter is reconstructed and the subsequent cosmological implications are studied. We examined the stability for the obtained solutions of the crossing of the phantom divide under a quantum correction of massless conformally invariant fields and we have seen that quantum correction could be small when the phantom crossing occurs and the obtained solutions of the phantom crossing could be stable under the quantum correction. In the subsequent phase, we have established a correspondence between the NHDE model and the quintessence, the DBI-essence and the tachyon scalar field models in the framework of chameleon Brans–Dicke cosmology. We reconstruct the potentials and the dynamics for these three scalar field models we have considered. The reconstructed potentials are found to increase with the evolution of the universe and in a very late stage they are observed to decay.

Keywords: dark energy, holographic principle, modified gravity, reconstruction

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Authors: Miriam Eduful

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The Electricity Company of Ghana (ECG) is under obligation, demanded by the Public Utility and Regulation Commission to meet set performance indices. However, in certain parts of the country, bamboo related power interruptions have become a challenge. Growth rate of the bamboo is such that the cost of regular vegetation maintenance along route of the overhead power lines has become prohibitive. To address the problem, several methods and techniques of bamboo eradication have being used. Some of these methods involved application of chemical compounds that are considered inimical and dangerous to the environment. In this paper, three methods of bamboo eradication along the route of the ECG overhead power lines have been investigated. A hybrid method has been found to be very effective and ecologically friendly. The method is locally available and comparatively inexpensive to apply.

Keywords: bamboo, eradication, hybrid method, gly gold

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Authors: Włodzimierz Lewandowski, Renata Świsłocka, Aleksandra Golonko, Grzegorz Świderski, Monika Kalinowska

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Caffeic acid (3,4-dihydroxycinnamic) is distributed in a free form or as ester conjugates in many fruits, vegetables and seasonings including plants used for medical purpose. Caffeic acid is present in propolis – a substance with exceptional healing properties used in natural medicine since ancient times. The antioxidant, antibacterial, antiinflammatory and anticarcinogenic properties of caffeic acid are widely described in the literature. The biological activity of chemical compounds can be modified by the synthesis of their derivatives or metal complexes. The structure of the compounds determines their biological properties. This work is a continuation of the broader topic concerning the investigation of the correlation between the electronic charge distribution and biological (anticancer and antioxidant) activity of the chosen phenolic acids and their metal complexes. In the framework of this study the synthesis of new metal complexes of sodium, magnesium, aluminium, iron (III) ruthenium (III) and osmium (III) with caffeic acid was performed. The spectroscopic properties of these compounds were studied by means of FT-IR, FT-Raman, UV-Vis, ¹H and ¹³C NMR. The quantum-chemical calculations (at B3LYP/LAN L2DZ level) of caffeic acid and selected complexes were done. Moreover the antioxidant properties of synthesized complexes were studied in relation to selected stable radicals (method of reduction of DPPH and method of reduction of ABTS). On the basis of the differences in the number, intensity and locations of the bands from the IR, Raman, UV/Vis and NMR spectra of caffeic acid and its metal complexes the effect of metal cations on the electronic system of ligand was discussed. The geometry, theoretical spectra and electronic charge distribution were calculated by the use of Gaussian 09 programme. The geometric aromaticity indices (Aj – normalized function of the variance in bond lengths; BAC - bond alternation coefficient; HOMA – harmonic oscillator model of aromaticity and I₆ – Bird’s index) were calculated and the changes in the aromaticity of caffeic acid and its complexes was discussed. This work was financially supported by National Science Centre, Poland, under the research project number 2014/13/B/NZ7/02-352.

Keywords: antioxidant properties, caffeic acid, metal complexes, spectroscopic methods

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Authors: Shokofeh Ebrtahimi

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Let G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G.Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena.[1] The pioneers of the chemical graph theory are Alexandru Balaban, Ante Graovac, Ivan Gutman, Haruo Hosoya, Milan Randić and Nenad TrinajstićLet G be the chemical graph of a molecule. The matrix D = [dij ] is called the detour matrix of G, if dij is the length of longest path between atoms i and j. The sum of all entries above the main diagonal of D is called the detour index of G. In this paper, a new program for computing the detour index of molecular graphs of nanotubes by heptagons is determineded. Some Conjectures about detour index of Molecular graphs of nanotubes is included.

Keywords: chemical graph, detour matrix, Detour index, carbon nanotube

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Authors: Ernesto Linan, Linda Cruz, Lucero Becerra

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In this paper, a new hybridized algorithm based on Chemical Reaction Optimization and Simulated Annealing is proposed to solve the alignment sequence Problem. The Chemical Reaction Optimization is a population-based meta-heuristic algorithm based on the principles of a chemical reaction. Simulated Annealing is applied to solve a large number of combinatorial optimization problems of general-purpose. In this paper, we propose hybridization between Chemical Reaction Optimization algorithm and Simulated Annealing in order to solve the Sequence Alignment Problem. An initial population of molecules is defined at beginning of the proposed algorithm, where each molecule represents a sequence alignment problem. In order to simulate inter-molecule collisions, the process of Chemical Reaction is placed inside the Metropolis Cycle at certain values of temperature. Inside this cycle, change of molecules is done due to collisions; some molecules are accepted by applying Boltzmann probability. The results with the hybrid scheme are better than the results obtained separately.

Keywords: chemical reaction optimization, sequence alignment problem, simulated annealing algorithm, metaheuristics

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Authors: Anahita Yarahmadi, Nazanin Mahboobi, Nahid Sadat Rahmatpour Nori, Mohammad Hossein Bijeh Keshavarzi, Mohammad Javad Shakori

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This research aimed at considering biological fertilizer effect and chemical fertilizer on the quantitative characteristics of Sweet wormwood (Artemisia annua L.), an experiment was carried out in factorial design in completely randomized design with 4 replications in an experimental greenhouse which was located in Tehran. Experimental treatment involved chemical fertilizers (Nitrogen, Phosphorus) in4 levels and biological fertilizers in 4 levels (control, Nitroxin, Bio-phosphorus and Vemricompost). Results showed that using biological fertilizers and increasing different levels of chemical fertilizers (N, P) had significant effects on all the characteristics. Considering means comparison showed that biological fertilizers lead to significant enhancement on all the characteristics and among biological fertilizers, Vermicompost treatment has the most effect. Considering means comparison tables of different levels of chemical fertilizer have been found that (N80P80) had the most increase on characteristics.

Keywords: Artemisia annua L, bio-fertilizer, chemical fertilizer, vermicompost

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Authors: M. B. Mshelia, J. K. Balogun, J. Auta, N. O. Bankole

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Studies on some aspects of the physico-chemical parameters of Jebba Lake, Niger State, Nigeria was carried out from January to December, 2011. The aim was to investigate some of the physico-chemical parameters relevant to life and health of fish in the water body. Six (6) sampling sites were selected at random which covered Northern (Faku and Awuru), middle (Old Gbajibo and Shankade) and southern zones (New Gbajibo and Jebba dam} of Jebba Lake. Sampling was carried out for the period of 12 Months. The Physico-chemical parameters that were considered were water temperature, pH, dissolved oxygen, electrical conductivity, water transparency, phosphate and nitrate. They were all measured using standard methods. The results showed that water temperature values ranged between 26.06 ± 0.15a in Jebba lake site to 27.34 ± 0.12b in Shankade sampling site, depth varied from 8.08m to 31.64m, water current was between 20.10.62 cm/sec and 26.46 cm/sec, Secchi disc transparency ranged from0.46±0.01 m in New Gbajibo, while the highest mean value was 0.53 ± 0.04 m in Jebba dam., pH varied from 6.49 ± 0.01 and 7.59,5.35±0.03a mg/l in New Gbajibo and 6.75 ± 0.03 mg/l in Faku.The dissolved oxygen varied between 5.35±0.03a mg/l in New Gbajibo and 6.75 ± 0.03 mg/l in Faku.,The mean conductivity value was highest in Faku and Jebba with 128.8 ± 0.32 and 128.8 ± 0.42homs/cm) respectively, Alkalinity ranged 43.00±0.02 to33.30±0.32 mg/l., The nitrate-nitrogen range (2.37 ± 0.08 – 6.40 ± 0.50mg/l)., The mean values of phosphate-phosphorus (PO4-P) recorded varied between 0.18 ± 0.00 mg/l in Faku to 0.47 + 0.10 mg/l in Old Gbajibo.The highest mean value for total dissolved solids was 57.88 ± 0.28 mg/l in Shankade, while the lowest mean value of 39.17 ± 0.42 mg/l was recorded in Faku. Free CO2 ranged from 1.75 mg/l to 2.94 mg/l, Biochemical oxygen demand (BOD) was between 4.25 mg/l and 5.41 mg/l and nitrate-nitrogen concentration was between 2.37 mg/l and 6.40 mg/l. There were significant differences (P < 0.05) between these parameters in relation to stations. Generally, the physico-chemical characteristics of Lake Jebba were within the productive values for aquatic systems, and strongly indicate that the lake is unpolluted.

Keywords: Jebba Lake, water quality, secchi disc, DO meter, sampling sites, physico-chemical parameters

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Authors: Guohua Cao, Xu Dong

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X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

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Authors: Reda Abdel-Aziz

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Agricultural activities in Egypt generate annually around 35 million tons of waste. Composting is one of the most promising technologies to turnover waste in a more economical way, for many centuries. Composting has been used as a mean of recycling organic matter back into the soil to improve soil structure and fertility. Field experiments were conducted in two governorates, Giza and Al-Monofia, to find out the effect of compost with different rates of chemical fertilizers on growth and yield of corn (Zea mays L.) during two constitutive seasons of 2012 and 2013. The experiment, laid out in a randomized complete block design (RCBD), was carried out on five farmers’ fields in each governorate. The treatments were: unfertilized control, full dose of NPK (120, 30, and 50 kg/acre, respectively), compost at rate of 20 ton/acre, compost at rate of 10 ton/acre + 25% of chemical fertilizer, compost at rate of 10 ton/acre + 50% of chemical fertilizer and compost at rate of 10 ton/acre + 75% of chemical fertilizer. Results revealed a superiority of the treatment of compost at rate of 10 ton/acre + 50% of NPK that caused significant improvement in growth, yield and nutrient uptakes of corn in the two governorates during the two constitutive seasons. Results showed that agricultural waste could be composted into value added soil amendment to enhance efficiency of chemical fertilizer. Composting of agricultural waste could also reduce the chemical fertilizers potential hazard to the environment.

Keywords: agricultural waste, compost, chemical fertilizers, corn production, environment

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Authors: Wonkyung Na, Namhun Kim, Heeyeop Chae

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Quantum dots (QDs) are getting attentions due to their excellent optical properties in display, solar cell, biomolecule detection and lighting applications. Energy band gap can be easilty controlled by controlling their size and QDs are proper to apply in light-emitting-diode(LED) and lighting application, especially. Typically cadmium (Cd) containing QDs show a narrow photoluminescence (PL) spectrum and high quantum yield. However, Cd is classified as a hazardous materials and the use of Cd is being tightly regulated under 100ppm level in many countries.InP and CuInS2 (CIS) are being investigated as Cd-free QD materials and it is recently demonstrated that the performance of those Cd-free QDs is comparable to their Cd-based rivals.Due to a broad emission spectrum, CuInS2 QDs are also proper to be applied to white LED.4 For the lighting applications, the QD should be made in forms of color conversion films. Various film processes are reported with QDs in polymer matrixes. In this work, we synthesized the CuInS2 (CIS) QDs and QD embedded polystyrene color conversion films were fabricated for white color emission with electro-spinning process. As a result, blue light from blue LED is converted to white light with high color rendering index (CRI) of 72 by the color conversion films.

Keywords: CuInS2/ZnS, electro-spinning, color conversion films, white light emitting diodes

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Authors: Alefsi D. Sanchez-Reinoso, Leonardo Lombardini, Hermann Restrepo

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Colombian coffee is recognized worldwide for its mild flavor and aroma. Its cultivation generates a large amount of waste, such as fresh pulp, which leads to environmental, health, and economic problems. Obtaining biochar (BC) by pyrolysis of coffee pulp and its incorporation to the soil can be a complement to the crop mineral nutrition. The objective was to evaluate the effect of the application of BC obtained from coffee pulp on the physiology and agronomic performance of the Castillo variety coffee crop (Coffea arabica L.). The research was developed in field condition experiment, using a three-year-old commercial coffee crop, carried out in Tolima. Four doses of BC (0, 4, 8 and 16 t ha-1) and four levels of chemical fertilization (CF) (0%, 33%, 66% and 100% of the nutritional requirements) were evaluated. Three groups of variables were recorded during the experiment: i) physiological parameters such as Gas exchange, the maximum quantum yield of PSII (Fv/Fm), biomass, and water status were measured; ii) physical and chemical characteristics of the soil in a commercial coffee crop, and iii) physiochemical and sensorial parameters of roasted beans and coffee beverages. The results indicated that a positive effect was found in plants with 8 t ha-1 BC and fertilization levels of 66 and 100%. Also, a positive effect was observed in coffee trees treated with 8 t ha-1 BC and 100%. In addition, the application of 16 t ha-1 BC increased the soil pHand microbial respiration; reduced the apparent density and state of aggregation of the soil compared to 0 t ha-1 BC. Applications of 8 and 16 t ha-1 BC and 66%-100% chemical fertilization registered greater sensitivity to the aromatic compounds of roasted coffee beans in the electronic nose. Amendments of BC between 8 and 16 t ha-1 and CF between 66% and 100% increased the content of total soluble solids (TSS), reduced the pH, and increased the titratable acidity in beverages of roasted coffee beans. In conclusion, 8 t ha-1 BC of the coffee pulp can be an alternative to supplement the nutrition of coffee seedlings and trees. Applications between 8 and 16 t ha-1 BC support coffee soil management strategies and help the use of solid waste. BC as a complement to chemical fertilization showed a positive effect on the aromatic profile obtained for roasted coffee beans and cup quality attributes.

Keywords: crop yield, cup quality, mineral nutrition, pyrolysis, soil amendment

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Authors: Pejman Hosseinioun, Abolghasem Ghasempour, Elham Gholami, Hamed Sarbazi

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Considering the development in global semiconductor technology, it is anticipated that gadgets such as diodes and resonant transistor tunnels (RTD/RTT), Single electron transistors (SET) and quantum cellular automata (QCA) will substitute CMOS (Complementary Metallic Oxide Semiconductor) gadgets in many applications. Unfortunately, these new technologies cannot disembark the common Boolean logic efficiently and are only appropriate for liminal logic. Therefor there is no doubt that with the development of these new gadgets it is necessary to find new MacDraw technologies which are compatible with them. Resonant transistor tunnels (RTD/RTT) and circuit MacDraw with enhanced computing abilities are candida for accumulating Nano criterion in the future. Quantum cellular automata (QCA) are also advent Nano technological gadgets for electrical circuits. Advantages of these gadgets such as higher speed, smaller dimensions, and lower consumption loss are of great consideration. QCA are basic gadgets in manufacturing gates, fuses and memories. Regarding the complex Nano criterion physical entity, circuit designers can focus on logical and constructional design to decrease complication in MacDraw. Moreover Single electron technology (SET) is another noteworthy gadget considered in Nano technology. This article is a survey in future of Nano technology in digital MacDraw.

Keywords: nano technology, resonant transistor tunnels, quantum cellular automata, semiconductor

Procedia PDF Downloads 265

Authors: Mahdi Almaky

Abstract:

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

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

Procedia PDF Downloads 422

Authors: P. Zakikhani, R. Zahari, M. T. H. Sultan, D. L. Majid

Abstract:

Natural plant fibres reinforced polymeric composite materials have been used in many fields of our lives to save the environment. Especially, bamboo fibres due to its environmental sustainability, mechanical properties, and recyclability have been utilized as reinforced polymer matrix composite in construction industries. In this review study bamboo structure and three different methods such as mechanical, chemical and combination of mechanical and chemical to extract fibres from bamboo are summarized. Each extraction method has been done base on the application of bamboo. In addition Bamboo fibre is compared with glass fibre from various aspects and in some parts it has advantages over the glass fibre.

Keywords: bamboo fibres, natural fibres, bio composite, mechanical extraction, glass fibres

Procedia PDF Downloads 490

Authors: Luke Andrighetto, Paul G. Stevenson, Luke C. Henderson, Jim Pearson, Xavier A. Conlan

Abstract:

As pseudoephedrine, a common ingredient in cold and flu medications is closely monitored and restricted in Australia, alternative methods of accessing it are of interest. The impurities and by-products of every reaction step of pseudoephedrine/ephedrine and methamphetamine synthesis have been mapped in order to develop a chemical fingerprint based on synthetic route. Likewise, seized methamphetamine contains a combination of different cutting agents and starting materials. Therefore, in-silico optimised two-dimensional HPLC with DryLab® and OpenMS® software has been used to efficiently separate complex seizure samples. An excellent match between simulated and real separations was observed. Targeted separation of model compounds was completed with significantly reduced method development time. This study produced a two-dimensional separation regime that offers unprecedented separation power (separation space) while maintaining a rapid analysis time that is faster than those previously reported for gas chromatography, single dimension high performance liquid chromatography or capillary electrophoresis.

Keywords: chemical fingerprint, ephedrine, methamphetamine, two-dimensional HPLC

Procedia PDF Downloads 459

Authors: Sami Ayad, Mengshan Lee

Abstract:

The Sustainable Development Goals (SDGs) were designed to be the best possible blueprint to achieve peace, prosperity, and overall, a better and more sustainable future for the Earth and all its people, and such a blueprint is needed more than ever. The SDGs face many hurdles that will prevent them from becoming a reality, one of such hurdles, arguably, is the chemical pollution and unintended chemical impacts generated through the production of various goods and resources that we consume. Chemical Alternatives Assessment has proven to be a viable solution for chemical pollution management in terms of filtering out hazardous chemicals for a greener alternative. However, the current substitution practice lacks crucial quantitative datasets (exposures and life cycle impacts) to ensure no unintended trade-offs occur in the substitution process. A Chemical Life Cycle Alternative Assessment (CLiCAA) framework is proposed as a reliable and replicable alternative to Life Cycle Based Alternative Assessment (LCAA) as it integrates chemical molecular structure analysis and Chemical Life Cycle Collaborative (CLiCC) web-based tool to fill in data gaps that the former frameworks suffer from. The CLiCAA framework consists of a four filtering layers, the first two being mandatory, with the final two being optional assessment and data extrapolation steps. Each layer includes relevant impact categories of each chemical, ranging from human to environmental impacts, that will be assessed and aggregated into unique scores for overall comparable results, with little to no data. A feasibility study will demonstrate the efficiency and accuracy of CLiCAA whilst bridging both cancer potency and exposure limit data, hoping to provide the necessary categorical impact information for every firm possible, especially those disadvantaged in terms of research and resource management.

Keywords: chemical alternative assessment, LCA, LCAA, CLiCC, CLiCAA, chemical substitution framework, cancer potency data, chemical molecular structure analysis

Procedia PDF Downloads 92