Search results for: organic compound

Authors: Azadeh Askarinejad, Parmida Hayati, Parham Hayati, Reza Parchami

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Curing is a very important factor in the ultimate strength and durability of roller compacted concrete pavements (RCCP). Curing involves keeping the concrete is saturated or close to saturation point. Since maintaining concrete moisture has a significant impact on its mechanical properties, permeability and durability, curing is important. The most common procedure for curing of roller compacted concrete is using a white pigmented curing compound. This method is effective, economical and fast. In the present study, different curing compounds were applied on concrete specimens and the results of their effects on the mechanical properties were compared with each other and usual methods of curing in order to select appropriate materials and methods of curing for RCCP construction.

Keywords: curing compounds, roller compacted concrete pavements, mechanical properties, durability

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Authors: Anuja Singh, Avik K. Pati, Ashok K. Mishra

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Organic fluorophores with π-conjugated scaffolds are important because of their interesting optoelectronic properties. In recent years, our lab has been engaged in understanding the photophysics of small diacetylene bridged fluorophores and found the diynes as a promising class of π-conjugated fluorophores. Building on this understanding, recently we have focused on the photophysics of a less explored class of cross-conjugated Y-shaped enediynes (one double and two triple bonds). Here we present the photophysical properties of such enediynes which show interesting photophysical properties that include dual emissions from locally excited (LE) and intramolecular charge transfer (ICT) states and ring size dependent aggregate fluorescence in non-aqueous media. The dyes also show prominent aggregate fluorescence in mixed-aqueous solvents and solid powder form. We further show that the solid state fluorescence can be reversibly switched multiple of cycles by external stimuli, highlighting their potential applications in solid states. The enediynes with push-pull electronic substituents/moieties exhibit high contrast fluorescence color switching upon continuous photon illumination. The intriguing photophysical outcomes of the enediynyl fluorophores are judiciously exploited to generate single-component white light emission in binary solvent mixtures and sense polar aprotic vapor in polymer film matrices. The photophysical behavior of the dyes is further successfully utilized to monitor the microenvironment changes of biologically relevant anisotropic media such as bile salts. In summary, the newly introduced cross-conjugated enediynes enrich the toolbox of organic fluorophores and vouch to display versatile applications.

Keywords: aggregation in solution and solid state, enediynes, physical photochemistry and photophysics, vapor sensing and white light emission

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Authors: V. E. Messerle, O. A. Lavrichshev, A. B. Ustimenko

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Currently and in the foreseeable future (up to 2100), the global economy is oriented to the use of organic fuel, mostly, solid fuels, the share of which constitutes 40% in the generation of electric power. Therefore, the development of technologies for their effective and environmentally friendly application represents a priority problem nowadays. This work presents the results of thermodynamic and experimental investigations of plasma technology for processing of low-grade coals. The use of this technology for producing target products (synthesis gas, hydrogen, technical carbon, and valuable components of mineral mass of coals) meets the modern environmental and economic requirements applied to basic industrial sectors. The plasma technology of coal processing for the production of synthesis gas from the coal organic mass (COM) and valuable components from coal mineral mass (CMM) is highly promising. Its essence is heating the coal dust by reducing electric arc plasma to the complete gasification temperature, when the COM converts into synthesis gas, free from particles of ash, nitrogen oxides and sulfur. At the same time, oxides of the CMM are reduced by the carbon residue, producing valuable components, such as technical silicon, ferrosilicon, aluminum and carbon silicon, as well as microelements of rare metals, such as uranium, molybdenum, vanadium, titanium. Thermodynamic analysis of the process was made using a versatile computation program TERRA. Calculations were carried out in the temperature range 300 - 4000 K and a pressure of 0.1 MPa. Bituminous coal with the ash content of 40% and the heating value 16,632 kJ/kg was taken for the investigation. The gaseous phase of coal processing products includes, basically, a synthesis gas with a concentration of up to 99 vol.% at 1500 K. CMM components completely converts from the condensed phase into the gaseous phase at a temperature above 2600 K. At temperatures above 3000 K, the gaseous phase includes, basically, Si, Al, Ca, Fe, Na, and compounds of SiO, SiH, AlH, and SiS. The latter compounds dissociate into relevant elements with increasing temperature. Complex coal conversion for the production of synthesis gas from COM and valuable components from CMM was investigated using a versatile experimental plant the main element of which was plug and flow plasma reactor. The material and thermal balances helped to find the integral indicators for the process. Plasma-steam gasification of the low-grade coal with CMM processing gave the synthesis gas yield 95.2%, the carbon gasification 92.3%, and coal desulfurization 95.2%. The reduced material of the CMM was found in the slag in the form of ferrosilicon as well as silicon and iron carbides. The maximum reduction of the CMM oxides was observed in the slag from the walls of the plasma reactor in the areas with maximum temperatures, reaching 47%. The thusly produced synthesis gas can be used for synthesis of methanol, or as a high-calorific reducing gas instead of blast-furnace coke as well as power gas for thermal power plants. Reduced material of CMM can be used in metallurgy.

Keywords: gasification, mineral mass, organic mass, plasma, processing, solid fuel, synthesis gas, valuable components

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Authors: Kailash C. Madan

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We study the steady state behaviour of a batch arrival single server queue in which the first service with general service times is compulsory and the second service with general service times is optional. We term such a two phase service as generalized Coxian-2 service. Just after completion of a service the server must take a vacation of random length of time with general vacation times. We obtain steady state probability generating functions for the queue size as well as the steady state mean queue size at a random epoch of time in explicit and closed forms. Some particular cases of interest including some known results have been derived.

Keywords: batch arrivals, compound Poisson process, generalized Coxian-2 service, steady state

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Authors: Abdu Zakari, Sai’d Jibril, Adoum A. Omar

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The leaves of Combretum molle was selected on the basis of its uses in folk medicine as insecticides. The leave extracts of Combretum molle was tested against the larvae of Artemia salina, i.e. Brine Shrimp Lethality Test (BST), Culex quinquefasciatus Say (Filaria disease vector) i.e. Larvicidal Test, using crude ethanol, n-hexane, chloroform, ethyl acetate, and methanol extracts. The methanolic extract proved to be the most effective in inducing complete lethality at minimum doses both in the BST and the Larvicidal activity test. The LC50¬ values obtained are 24.85 µg/ml and 0.4µg/ml respectively. The bioactivity-guided column chromatography afforded the pure compound ACM–3. ACM-3 was not active in the BST with LC50 value >1000µg/ml, but was active in the Larvicidal activity test with LC50 value 4.0µg/ml. ACM-3 was proposed to have the structure I, (Cholesta-β-D-Glucopyranoside).

Keywords: toxicity, larvicidal, Combretum molle, Artemia salina, Culex quinquefasciatus Say.

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Authors: F. Adjel, S. Almi, D. Barkat

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The synergistic solvent extraction of cobalt (II) from 0.33 mol dm-3 Na2SO4 aqueous solutions with capric acid (HL) in the absence and presence of tri-n-octylphosphine oxide (TOPO) in chloroform at 25°C, has been studied. The extracted species when the capric acid compound was used alone, is CoL2(HL)2. In the presence of TOPO, a remarkable enhancement on the extraction of nickel (II) with 0.02 mol dm-3 capric acid was observed upon the addition of 0.0025 to 0.01 mol dm-3 TOPO in chloroform. From an synergistic extraction- equilibrium study, the synergistic enhancement was ascribed to the adduct formation CoL2(HL)2 n(TOPO). The TOPO-HL interaction strongly influences the synergistic extraction efficiency. The synergistic extraction stoichiometry of cobalt (II) with capric acid and TOPO is studied with the methods of slope analysis. The equilibrium constants were determined.

Keywords: solvent extraction, cobalt (II), capric acid, TOPO, synergism

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Authors: Brahim Bahloul, Khatir Babesse, Azzedine Dkhira, Yacine Bahloul, Dalila Hammoutene

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In this paper, we investigate with ab initio calculations some structural and optoelectronic properties of Li₂S compound. The structural and electronic properties of the Li₂S antifluorite structure have been studied by first-principles calculations within the density functional theory (DFT), whereas the optical properties have been obtained using empirical relationships such as the modified Moss relation. Our calculated lattice parameters are in good agreement with the experimental data and other theoretical calculations. The electronic band structures and density of states were obtained. The anti-fluorite Li₂S present an indirect band gap of 3.388 eV at equilibrium. The top of the valence bands reflects the p electronic character for both structures. The calculated energy gaps and optical constants are in good agreement with experimental measurements.

Keywords: Ab initio calculations, antifluorite, electronic properties, optical properties

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Authors: Michael Graz, Natasha Hurril, Andrew Shearer

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Research on feed supplementation with natural compounds is currently being intensively pursued with a view to improving energy utilisation in ruminants and mitigating the production of methane by these animals. Towards this end, a novel combination of extracts from garlic and bitter orange was therefore selected for trials on the basis of their previously published in vitro anti-methanogenic potential. Three separate in vitro experiments were conducted to determine energy utilisation and greenhouse gas production. These included use of rumen fluid from fistulated cows and sheep in batch culture, the Hohenheim gas test, and the Rusitec technique. Experimental and control arms were utilised, with 5g extracts per kilogram of total dietary dry matter (0.05g/kg active compounds) being used to supplement or not supplement the in vitro systems. Respiratory measurements were conducted on experimental day 1 for the batch culture and Hohenheim gas test and on day 14-21 for the Rusitec Technique (in a 21-day trial). Measurements included methane (CH4) production, total volatile fatty acid (VFA) concentration, molar proportions of acetate, propionate and butyrate and degradation of organic matter (Rusitec). CH4 production was reduced by 82% (±16%), 68% (±11%) and 37% (±4%) in the batch culture, Hohenheim gas test and Rusitec, respectively. Total VFA production was reduced by 13% (±2%) and 2% (±0.1%) in the batch culture and Hohenheim gas test whilst it was increased by 8% (±2%) in the Rusitec. Total VFA production was reduced in all tests between 2 and 10%, whilst acetate production was reduced between 10% and 29%. Propionate production which is an indicator of weight gain was increased in all cases between 16% and 30%. Butyrate production which is considered an indicator of potential milk yield was increased by between 6 and 11%. Degradation of organic matter in the Rusitec experiments was improved by 10% (±0.1%). In conclusion, the study demonstrated the potential of the combination of garlic and citrus extracts to improve digestion, enhance body energy retention and limit CH4 formation in relation to feed intake.

Keywords: citrus, garlic, methane, ruminants

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Authors: Benchalak Muangmeesri

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This research is experiment glaze from use cullet that is broken decayed from the used such as, glass bottle, windshield , etc. For seek raw material compensation that is raw material of the glaze in ceramic. The objective of the research for study the ratio of the glaze that is appropriate for glaze ceramic products and evaluate the experiment glaze on the vitreous china. The experiment has limits in using ceramic process such as, using calculation formula with triaxial, the empirical formula’s of Seger, and formula calculation is the percentage of the compound. for choose formula has will the possibility for glaze on vitreous china. The experiments in 108 triaxial can choose best formula and calculate is be left just 6 a formula for the calculation. The calculation is the percentage of the raw materials. Find that, three formulas in six formula there is percentage amount of the raw material that is cullet has the amount the little more 10 percentages then repeated experiment just three formulas. Overall, this research have three formulas for used its and we get all processes achieved and well done.

Keywords: cullet, glaze, pottery, ceramic

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Authors: M. Shivakumar, S. R. Somashekhar, C. V. Raju

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Secondary salinization of agricultural lands in any command areas of the world is the major issue in the recent past. Currently, it is estimated that the 954 mh of saline and alkaline soil is present in the world. Thousands of hectares of land, getting added every year. Argentina, Bangladesh and Australia are most affected countries. In India, out of 142.80 million hectare (mh) cropped area, 56 mh is irrigated area. Of which, more than 9 mh (about 16.%) of land is found to be alkaline/saline. Due to continuous utilization of same land for same agricultural activities, excessive usage of fertilizers and water, most of the soils have become alkaline, saline or water logged. These lands are low productive and at times totally unfit for agricultural activities. These soils may or may not posses good physical condition, but plants may suffer from its inability to absorb water from salty solution. Plants suffer from dehydration and loose water to the soil, shrink, resulting death of plant. This process is called plasmolysis. It is the fact that soil is an independent, organic body of nature that acquires properties in accordance with forces which act upon it. Aquaculture is one of the solutions to utilize such problematic soils for food production. When the impoundments are constructed in an area 10-15% of the affected areas, the excess water along with the salts gets into impoundments and management of salt is easier in water than in the soil. Due to high organic input in aquaculture such as feed, manure and continuous deposition of fecal matter, pH of the soil gets reduced and over the period of time such soils can be put back into the original activity. Under National Agricultural Development Program (NADP), the project was implemented in 258 villages of Mandya District, Karnataka State, India and found that these lands can be effectively utilized for fish culture and increase the proteinacious food production by many folds while conserving the soils. The findings of the research can be adopted and up scaled in any country.

Keywords: saline and alkaline soils, Aquaculture, Problematic soils, Reclamation

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Authors: S. Yezli-Touiker, L. Kirane-Amrani, N. Soltani-Mazouni

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Ephestia kuehniella Zeller Lepidoptera, Pyralidae commonly called Mediterranean flour moth, is serious cosmopolitan pest of stored grain products, particularly flour Month. This species is also a source of allergen that causes asthma and rhinitis. Captopril is an inhibitor of angiotensin converting enzyme (ACE) it was tested in vivo by topical application on development of E. kuehniella. The compound is diluted in acetone and applied topically to newly emerged pupae (10mg/2ml). Report chitin protein of cuticule and ecdysteroid Amounts were determined in vivo. Results show that the captopril does not affect chitin protein of cuticule but traitment with captopril increase the hormonal production, the quantitative analysis reveals the presence of two peaks one at third and another at fifth day.

Keywords: Ephestia kuehniella, cuticule, hormone, captopril

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Authors: Almas Hamid, Ghazala Yaqub, Aqsa Riaz

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Qualitative validation was performed to detect the presence of persistent organic pollutants (POPs) in various wastewater samples collected from domestic sources (Askari XI housing society, Bedian road Lahore) industrial sources (PET bottles, pharmaceutical, textile) and a municipal drain (Hudiara drain) in Lahore. In addition wastewater analysis of the selected parameter was carried out. pH for wastewater samples from Askari XI, PET bottles, pharmaceutical, textile and Hudiara drain were 6.9, 6.7, 6.27, 7.18 and 7.9 respectively, within the NEQS Pakistan range that is 6-9. TSS for the respective samples was 194, 241, 254, 140 and 251 mg/L, in effluent for pet bottle industry, pharmaceutical and Hudiara drain and exceeded the NEQS Pakistan. Chemical oxygen demand (COD) for the wastewater samples was 896 mg/L, 166 mg/L, 419 mg/L, 812 mg/L and 610 mg/L respectively, all in excess of NEQS (150 mg/L). Similarly the biological oxygen demand (BOD) values (110.8, 170, 423, 355 and 560 mg/L respectively) were also above NEQS limits (80 mg/L). Chloride (Cl-) content, total dissolved solids (TDS) and temperature were found out to be within the prescribed standard limits. The POPs selected for analysis included five pesticides/insecticides (D. D, Karate, Commando, Finis insect killer, Bifenthrin) and three polycyclic aromatic hydrocarbons (PAHs) (naphthalene, anthracene, phenanthrene). Peak values of standards were compared with that of wastewater samples. The results showed the presence of D.D in all wastewater samples, pesticide Karate was identified in Askari XI and textile industry sample. Pesticide Commando, Finis (insect killer) and Bifenthrin were detected in Askari XI and Hudiara drain wastewater samples. In case of PAHs; naphthalene was identified in all the five wastewater samples whereas anthracene and phenanthrene were detected in samples of Askari XI housing society, PET bottles industry, pharmaceutical industry and textile industry but totally absent in Hudiara drain wastewater. Practical recommendations have been put forth to avoid hazardous impacts of incurred samples.

Keywords: HPLC studies, lahore, physicochemical analysis, wastewater

Procedia PDF Downloads 259

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: F. Adjel, C. Bensmail, S. Almi, D. Barkat

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The synergistic solvent extraction of cobalt (II) from 0.33 mol dm^-3 Na2SO4 aqueous solutions with capric acid (HL) in the absence and presence of methyl isobutyl cétone (MIBK) in chloroform at 25°C, has been studied. The extracted species when the capric acid compound was used alone, is CoL2(HL)2. In the presence of MIBK, a remarkable enhancement on the extraction of nickel (II) with 0.02 mol dm^-3 capric acid was observed upon the addition of 0.0025 to 0.01 mol dm^-3 MIBK in chloroform. From a synergistic extraction-equilibrium study, the synergistic enhancement was ascribed to the adduct formation CoL2(HL)2 n(MIBK). The MIBK-HL interaction strongly influences the synergistic extraction efficiency. The synergistic extraction stoichiometry of cobalt (II) with capric acid and MIBK is studied with the methods of slope analysis. The equilibrium constants were determined.

Keywords: solvent extraction, cobalt (II), capric acid, MIBK, synergism

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Authors: Supriyono Supriyono, Sumardiyono Sumardiyono, Peni Pujiastuti, Dian Indriana Hapsari

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Crude palm oil (CPO) is a vegetable oil that came from a palm tree bunch. The productivity of the oil is 12 ton/hectare/year. Thus palm oil tree was known as highest vegetable oil yield. It was grown across Equatorial County, especially in Malaysia and Indonesia. The greenish-red color on CPO was come from carotenoid. Carotenoid is one of the antioxidants that could be extracted. Carotenoid could be used as functional food and other purposes. Another antioxidant that also found in CPO is tocopherol. The aim of the research work is to find antioxidant activity on CPO comparing to the synthetic antioxidant that available in a market. In this research work, antioxidant was extracted by a mixture of acetone and n.hexane, while the activity of the antioxidant extract was determined by DPPH method. Antioxidant activity of the extracted compound about 46% compared to pure tocopherol. While the solvent mixture compose by 90% acetone and 10% n. hexane meet the best on the antioxidant activity.

Keywords: antioxidant, beta carotene, crude palm oil, DPPH, tocopherol

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Authors: Pedro B. Antunes, Paulo J. Ramísio

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Road runoff is a linear source of diffuse pollution that can cause significant environmental impacts. During rainfall events, pollutants from both stationary and mobile sources, which have accumulated on the road surface, are dragged through the superficial runoff. Road runoff in coastal zones may present high levels of salinity and chlorides due to the proximity of the sea and transported marine aerosols. Appearing to be correlated to this process, organic matter concentration may also be significant. This study assesses this phenomenon with the purpose of identifying the relationships between monitored water quality parameters and intrinsic site variables. To achieve this objective, an extensive monitoring program was conducted on a Portuguese coastal highway. The study included thirty rainfall events, in different weather, traffic and salt deposition conditions in a three years period. The evaluations of various water quality parameters were carried out in over 200 samples. In addition, the meteorological, hydrological and traffic parameters were continuously measured. The salt deposition rates (SDR) were determined by means of a wet candle device, which is an innovative feature of the monitoring program. The SDR, variable throughout the year, appears to show a high correlation with wind speed and direction, but mostly with wave propagation, so that it is lower in the summer, in spite of the favorable wind direction in the case study. The distance to the sea, topography, ground obstacles and the platform altitude seems to be also relevant. It was confirmed the high salinity in the runoff, increasing the concentration of the water quality parameters analyzed, with significant amounts of seawater features. In order to estimate the correlations and patterns of different water quality parameters and variables related to weather, road section and salt deposition, the study included exploratory data analysis using different techniques (e.g. Pearson correlation coefficients, Cluster Analysis and Principal Component Analysis), confirming some specific features of the investigated road runoff. Significant correlations among pollutants were observed. Organic matter was highlighted as very dependent of salinity. Indeed, data analysis showed that some important water quality parameters could be divided into two major clusters based on their correlations to salinity (including organic matter associated parameters) and total suspended solids (including some heavy metals). Furthermore, the concentrations of the most relevant pollutants seemed to be very dependent on some meteorological variables, particularly the duration of the antecedent dry period prior to each rainfall event and the average wind speed. Based on the results of a monitoring case study, in a coastal zone, it was proven that SDR, associated with the hydrological characteristics of road runoff, can contribute for a better knowledge of the runoff characteristics, and help to estimate the specific nature of the runoff and related water quality parameters.

Keywords: coastal zones, monitoring, road runoff pollution, salt deposition

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Authors: E. E. Tereshatov, M. Yu. Boltoeva, V. Mazan, M. F. Volia, C. M. Folden III

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Room temperature ionic liquids (RTILs) are a class of liquid organic salts with melting points below 20 °C that are considered to be environmentally friendly ‘designers’ solvents. Pure hydrophobic ILs are known to extract metallic species from aqueous solutions. The closest analogues of ionic liquids are deep eutectic solvents (DESs), which are a eutectic mixture of at least two compounds with a melting point lower than that of each individual component. DESs are acknowledged to be attractive for organic synthesis and metal processing. Thus, these non-volatile and less toxic compounds are of interest for critical metal extraction. The US Department of Energy and the European Commission consider indium as a key metal. Its chemical homologue, thallium, is also an important material for some applications and environmental safety. The aim of this work is to systematically investigate In and Tl extraction from aqueous solutions into pure fluorinated ILs and hydrophobic DESs. The dependence of the Tl extraction efficiency on the structure and composition of the ionic liquid ions, metal oxidation state, and initial metal and aqueous acid concentrations have been studied. The extraction efficiency of the TlXz3–z anionic species (where X = Cl– and/or Br–) is greater for ionic liquids with more hydrophobic cations. Unexpectedly high distribution ratios (> 103) of Tl(III) were determined even by applying a pure ionic liquid as receiving phase. An improved mathematical model based on ion exchange and ion pair formation mechanisms has been developed to describe the co-extraction of two different anionic species, and the relative contributions of each mechanism have been determined. The first evidence of indium extraction into new quaternary ammonium- and menthol-based hydrophobic DESs from hydrochloric and oxalic acid solutions with distribution ratios up to 103 will be provided. Data obtained allow us to interpret the mechanism of thallium and indium extraction into ILs and DESs media. The understanding of Tl and In chemical behavior in these new media is imperative for the further improvement of separation and purification of these elements.

Keywords: deep eutectic solvents, indium, ionic liquids, thallium

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Authors: Prince Kumar, Shamseer Kulangara Kandi, Diwan S. Rawat, Kasturi Mukhopadhyay

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Staphylococcus aureus is the most pathogenic of all staphylococci, a major cause of nosocomial infections, and known for acquiring resistance towards various commonly used antibiotics. Due to the widespread use of synthetic drugs, clinicians are now facing a serious threat in healthcare. The increasing resistance in staphylococci has created a need for alternatives to these synthetic drugs. One of the alternatives is a natural plant-based medicine for both disease prevention as well as the treatment of chronic diseases. Among such natural compounds, curcumin is one of the most studied molecules and has been an integral part of traditional medicines and Ayurveda from ancient times. It is a natural polyphenolic compound with diverse pharmacological effects, including anti-inflammatory, antioxidant, anti-cancerous and antibacterial activities. In spite of its efficacy and potential, curcumin has not been approved as a therapeutic agent yet, because of its low solubility, low bioavailability, and rapid metabolism in vivo. The presence of central β-diketone moiety in curcumin is responsible for its rapid metabolism. To overcome this, in the present study, curcuminoids were designed by modifying the central β-diketone moiety of curcumin into mono carbonyl moiety and their antibacterial potency against S. aureus ATCC 29213 was determined. Further, the mode of action and hemolytic activity of the most potent curcuminoids were studied. Minimum inhibitory concentration (MIC) and in vitro killing kinetics were used to study the antibacterial activity of the designed curcuminoids. For hemolytic assay, mouse Red blood cells were incubated with curcuminoids and hemoglobin release was measured spectrophotometrically. The mode of action of curcuminoids was analysed by membrane depolarization assay using membrane potential sensitive dye 3,3’-dipropylthiacarbocyanine iodide (DiSC3(5)) through spectrofluorimetry and membrane permeabilization assay using calcein-AM through flow cytometry. Antibacterial screening of the designed library (61 curcuminoids) revealed excellent in vitro potency of six compounds against S. aureus (MIC 8 to 32 µg/ml). Moreover, these six compounds were found to be non-hemolytic up to 225 µg/ml that is much higher than their corresponding MIC values. The in vitro killing kinetics data showed five of these lead compounds to be bactericidal causing >3 log reduction in the viable cell count within 4 hrs at 5 × MIC while the sixth compound was found to be bacteriostatic. Depolarization assay revealed that all the six curcuminoids caused depolarization in their corresponding MIC range. Further, the membrane permeabilization assay showed that all the six curcuminoids caused permeabilization at 5 × MIC in 2 hrs. This membrane depolarization and permeabilization caused by curcuminoids found to be in correlation with their corresponding killing efficacy. Both these assays point out that membrane perturbations might be a primary mode of action for these curcuminoids. Overall, the present study leads us six water soluble, non-hemolytic, membrane-active curcuminoids and provided an impetus for further research on therapeutic use of these lead curcuminoids against S. aureus.

Keywords: antibacterial, curcumin, minimum inhibitory concentration , Staphylococcus aureus

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Authors: Mingizem Gashaw Seid

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Phytoremediation of chromium metal by vetiver grass was investigated in hydroponic system. The removal efficiency for organic load, nutrient and chromium were evaluated as a function of concentration of waste effluent (40 and 50% dilution with distilled water). Under this conditions 64.49-94.06 % of chromium was removed. This shows vetiver grass has potential for accumulation of chromium metal from tannery waste water stream.

Keywords: chromium, phytoremediation, tannery effluent, vetiver grass

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Authors: Keita Iwai, Isao Tomita

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To expand the optical spectrum for use in broadband optical communications, we study the properties of a semiconductor waveguide device with a tapered structure including its third-order optical nonlinearity. Spectral-broadened output by the tapered structure has the potential to create a compact, built-in device for optical communications. Here we deal with a compound semiconductor waveguide, the material of which is the same as that of laser diodes used in the communication systems, i.e., InₓGa₁₋ₓAsᵧP₁₋ᵧ, which has large optical nonlinearity. We confirm that our structure widens the output spectrum sufficiently by controlling its taper form factor while utilizing the large nonlinear refraction of InₓGa₁₋ₓAsᵧP₁₋ᵧ. We also examine the taper effect for nonlinear optical loss.

Keywords: InₓGa₁₋ₓAsᵧP₁₋ᵧ, waveguide, nonlinear refraction, spectral spreading, taper device

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Authors: N. Tadayon, H. Yousefnia, S. Zolghadri, A. Ramazani, A. R. Jalilian

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In this study, 68Ga-PDTMP was prepared as a new agent for bone imaging. 68Ga was obtained from SnO2 based generator. A certain volume of the PDTMP solution was added to the vial containing 68GaCl3 and the pH of the mixture was adjusted to 4 using HEPES. Radiochemical purity of the radiolabelled complex was checked by thin layer chromatography. Biodistribution of this new agent was assessed in rats after intravenously injection of the complex. For this purpose, the rats were killed at specified times after injection and the weight and activity of each organ was measured. Injected dose per gram was calculated by dividing the activity of each organ to the total injected activity and the mass of each organ. As expected the most of the activity was accumulated in the bone tissue. The radiolabelled compound was extracted from blood very fast. This new bone-seeking complex can be considered as a good candidate of PET-based radiopharmaceutical for imaging of bone metastases.

Keywords: biodistribution, Ga-68, imaging, PDTMP

Procedia PDF Downloads 346

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

Abstract:

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

Keywords: curcumin, HSPs, prediction, solvates, solubility

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Authors: Samir Khene

Abstract:

Present and future industrial uses of high critical temperature superconductors require high critical temperatures TC and strong current densities JC. These two aims constitute the two motivations of the scientific research in this domain. The most significant feature of any superconductor, from the viewpoint of uses, is the maximum electrical transport current density that this superconductor is capable of withstanding without loss of energy. In this work, vortices pinning in conventional and high-TC superconductors will be studied. Our experiments on vortices pinning in single crystals and nanoparticles of YBa2Cu3O7- and La1.85 Sr0.15CuO will be presented. It will be given special attention to the study of the YBa2Cu3O7- nanoparticles doped by ferromagnetic nanoparticles of Y3Fe5O12. The ferromagnetism and superconductivity coexistence in this compound will be demonstrated, and the influence of these ferromagnetic nanoparticles on the variations of the critical current density JC in YBa2Cu3O7- nanoparticles as a function of applied field H and temperature T will be studied.

Keywords: ferromagnetism, superconductivity, coexistence, magnetic material

Procedia PDF Downloads 63

Authors: Etukudo, M. Mbosowo, Nyananyo, L. Bio, Negbenebor, A. Charles

Abstract:

An aqueous extract of palm bunch ash from Elaeis guineensis Jacq., equilibrated with water was used to assess the growth and minerals composition of Amaranthus hybridus L. in agricultural soil of Abak, Akwa Ibom State, nigeria. Various concentrations, 0 (control), 10, 20, 30, 40, and 50% of palm bunch extract per 4kg of sandy-loam soil were used for the study. Chemical characteristics of the extract, Growth parameters (Plant height, root length, fresh weight, dry weight and moisture content), leaf minerals composition (Nitrogen, phosphorus, potassium, calcium and magnesium) of the crop and soil chemical composition before and after harvest (pH, organic matter, nitrogen, phosphorus, potassium, calcium and magnesium) were examined. The results showed that palm bunch ash extract significantly (P < 0.05) increased the soil pH at all levels of treatments compared to the control. Similarly, the soil and leaf minerals component (N, P, K. Ca, and Mg) of the crop increased with increase in the concentration of palm bunch extract, except at 40 and 50% for leaf minerals composition, Soil organic matter, nitrogen and phosphorus J(before and after harvest). In addition, The plant height, Root length, fresh weight, dry weight and moisture content of the crop increased significantly (P < 0.05) with increase in the concentration of the extract, Except at 30, 40 and 50% where these growth parameters decreased in relation to the control treatment. Therefore, this study suggests that palm bunch ash extract could be utilized at lower concentration as a nutrient supplement for both Amaranthus hubridus L. and soil medium, most especially in the tropical soils of the Niger Delta region of Nigeria.

Keywords: Amaranthus hybridus L., growth, leaf minerals composition, palm bunch ash extract

Procedia PDF Downloads 429

Authors: Hollie Ashworth, Sarah Heath, Nick Bryan, Liam Abrahamsen, Simon Kellet

Abstract:

Sellafield has a number of fuel storage ponds, some of which have been open to the air for a number of decades. This has caused corrosion of the fuel resulting in a release of some activity into solution, reduced water clarity, and accumulation of sludge at the bottom of the pond consisting of brucite (Mg(OH)2) and other uranium corrosion products. Both of these phases are also present as colloidal material. 90Sr and 137Cs are known to constitute a small volume of the radionuclides present in the pond, but a large fraction of the activity, thus they are most at risk of challenging effluent discharge limits. Organic molecules are known to be present also, due to the ponds being open to the air, with occasional algal blooms restricting visibility further. The contents of the pond need to be retrieved and safely stored, but dealing with such a complex, undefined inventory poses a unique challenge. This work aims to determine and understand the sorption-desorption interactions of 90Sr and 137Cs to brucite and uranium phases, with and without the presence of organic molecules from chemical degradation and bio-organisms. The influence of organics on these interactions has not been widely studied. Partitioning of these radionuclides and organic molecules has been determined through LSC, ICP-AES/MS, and UV-vis spectrophotometry coupled with ultrafiltration in both binary and ternary systems. Further detailed analysis into the surface and bonding environment of these components is being investigated through XAS techniques and PHREEQC modelling. Experiments were conducted in CO2-free or N2 atmosphere across a high pH range in order to best simulate conditions in the pond. Humic acid used in brucite systems demonstrated strong competition against 90Sr for the brucite surface regardless of the order of addition of components. Variance of pH did have a small effect, however this range (10.5-11.5) is close to the pHpzc of brucite, causing the surface to buffer the solution pH towards that value over the course of the experiment. Sorption of 90Sr to UO2 obeyed Ho’s rate equation and demonstrated a slow second-order reaction with respect to the sharing of valence electrons from the strontium atom, with the initial rate clearly dependent on pH, with the equilibrium concentration calculated at close to 100% sorption. There was no influence of humic acid seen when introduced to these systems. Sorption of 137Cs to UO3 was significant, with more than 95% sorbed in just over 24 hours. Again, humic acid showed no influence when introduced into this system. Both brucite and uranium based systems will be studied with the incorporation of cyanobacterial cultures harvested at different stages of growth. Investigation of these systems provides insight into, and understanding of, the effect of organics on radionuclide partitioning to brucite and uranium phases at high pH. The majority of sorption-desorption work for radionuclides has been conducted at neutral to acidic pH values, and mostly without organics. These studies are particularly important for the characterisation of legacy wastes at Sellafield, with a view to their safe retrieval and storage.

Keywords: caesium, legacy wastes, organics, sorption-desorption, strontium, uranium

Procedia PDF Downloads 268

Authors: N. Tugrul, E. Moroydor Derun, E. Cinar, A. S. Kipcak, N. Baran Acarali, S. Piskin

Abstract:

Fly ash is an important waste, produced in thermal power plants which causes very important environmental pollutions. For this reason the usage and evaluation the fly ash in various areas are very important. Nearly, 15 million tons/year of fly ash is produced in Turkey. In this study, usage of fly ash with diatomite and molasses for heavy metal (Cd) adsorption from wastewater is investigated. The samples of Seyitomer region fly ash were analyzed by X-ray fluorescence (XRF) and Scanning Electron Microscope (SEM) then diatomite (0 and 1% in terms of fly ash, w/w) and molasses (0-0.75 mL) were pelletized under 30 MPa of pressure for the usage of cadmium (Cd) adsorption in wastewater. After the adsorption process, samples of Seyitomer were analyzed using Optical Emission Spectroscopy (ICP-OES). As a result, it is seen that the usage of Seyitomer fly ash is proper for cadmium (Cd) adsorption and an optimum adsorption yield with 52% is found at a compound with Seyitomer fly ash (10 g), diatomite (0.5 g) and molasses (0.75 mL) at 2.5 h of reaction time, pH:4, 20ºC of reaction temperature and 300 rpm of stirring rate.

Keywords: heavy metal, fly ash, molasses, diatomite, adsorption, wastewater

Procedia PDF Downloads 288

Authors: Wang Ye, Wei Wei

Abstract:

Residential block construction of big cities in China began in the 1950s, and four models had far-reaching influence on modern residential block in its development process, including unit compound and residential district in 1950s to 1980s, and gated community and open community in 1990s to now. Based on analysis of the four models’ fabric, the article takes residential blocks in Hangzhou west area as an example and carries on the studies from urban structure level and block special level, mainly including urban road network, land use, community function, road organization, public space and building fabric. At last, the article puts forward semi-open sub-community strategy to improve the current fabric.

Keywords: Hangzhou west area, residential block model, residential block fabric, semi-open sub-community strategy

Procedia PDF Downloads 402

Authors: A. Elbatran, Y. Ahmed, A. Radwan, M. Ishak

Abstract:

The use of WIG craft is representing an ambitious technology that will support in reducing time, effort, and money of the conventional marine transportation in the future. This paper investigates the aerodynamic characteristic of compound wing-in-ground effect (WIG) craft model. Drag coefficient, lift coefficient and Lift and drag ratio were studied numerically with respect to the ground clearance and the wing angle of attack. The modifications of the wing has been done in order to investigate the most suitable wing configuration that can increase the wing lift-to-drag ratio at low ground clearance. A numerical investigation was carried out in this research work using finite volume Reynolds-Averaged Navier-Stokes Equations (RANSE) code ANSYS CFX, Validation was carried out by using experiments. The experimental and the numerical results concluded that the lift to drag ratio decreased with the increasing of the ground clearance.

Keywords: drag Coefficient, ground clearance, navier-stokes, WIG

Procedia PDF Downloads 367

Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou

Abstract:

We present the molecular dynamic simulations results of the structural and dynamical properties of the zinc-blende GaBi over a wide range of temperature (300-1000) K. Our simulation where performed in the framework of the three-body Tersoff potential, which accurately reproduces the lattice constants and elastic constants of the GaBi. A good agreement was found between our calculated results and the available theoretical data of the lattice constant, the bulk modulus and the cohesive energy. Our study allows us to predict the thermodynamic properties such as the specific heat and the lattice thermal expansion. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.

Keywords: Gallium compounds, molecular dynamics simulations, interatomic potential thermodynamic properties, structural phase transition

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Authors: Ati Sabrina, Arbouche Fodil

Abstract:

Petite Kaloise is an endemic variety of peanut in El Kala region preceding was grown dry around the three lakes (Mellah, obeira, and Tonga) was threatened by extinctions whose study of its nutritional value allows us to initiate its recovery and revive its culture. the results of the study showed that the rate of the mineral is low due to the absence of fertilization , the fat is between (48.79, 32.33, and 43.07) % respectively for sites (EL KALA, Frine, and OUM TEBOUL). Nitrogen matter is of the order of 29.86 %. lignin remains low, the rate is around 3.94 % promoting good digestibility of organic matter.

Keywords: digestible, lakes, petite kaloise, nutritional value

Procedia PDF Downloads 406