Search results for: inorganic compound

Authors: O. Antypenko, I. Vasilieva, S. Kovalenko

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Investigations for new effective and less toxic antimicrobials agents are always up-to-date. The tetrazole derivatives are quite interesting objects as for synthesis as well as for pharmacological screening. Thus, some derivatives of tetrazole demonstrated antimicrobial activity, namely 5-phenyl-tetrazolo[1,5-c]quinazoline was effective one against Staphylococcus aureus and Esherichia faecalis (MIC = 250 mg/L). Besides, investigation of the 9-bromo(chloro)-5-morpholin(piperidine)-4-yl-tetrazolo[1,5-c]quinazoline’s antimicrobial activity against Esherichia coli and Enterococcus faecalis, Pseudomonas aeruginosa and Staphylococcus aureus revealed that sensitivity of Gram-positive bacteria to the compounds was higher than that of Gram-negative bacteria. So, our previously synthesized, 31 derivatives of 1-(2-(1H-tetrazol-5-yl)-R1-phenyl)-3-R2-phenyl(ethyl)ureas were decided to test for their in vitro antibacterial activity against Gram-positive bacteria (Staphylococcus aureus ATCC 25923, Enterobacter aerogenes, Enterococcus faecalis ATCC 29212), Gram-negative bacteria (Pseudomonas aeruginosa ATCC 9027, Escherichia coli ATCC 25922, Klebsiella pneumoniae 68) and antifungal properties against Candida albicans ATCC 885653. Agar-diffusion method was used for determination of the preliminary activity compared to well-known reference antimicrobials. All the compounds were dissolved in DMSO at a concentration of 100 μg/disk, using inhibition zone diameter (IZD, mm) as a measure for the antimicrobial activity. The most active turned to be 3 structures, that inhibited several bacterial strains: 1-ethyl-3-(5-fluoro-2-(1H-tetrazol-5-yl)phenyl)urea (1), 1-(4-bromo-2-(1H-tetrazol-5-yl)-phenyl)-3-(4-(trifluoromethyl)phenyl)urea (2) and 1-(4-chloro-2-(1H-tetrazol-5-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea (3). IZM (mm) was 40 (Escherichia coli), 25 (Klebsiella pneumonia) for compound 1; 12 (Pseudomonas aeruginosa), 15 (Staphylococcus aureus), 10 (Enterococcus faecalis) for compound 2; 25 (Staphylococcus aureus), 15 (Enterococcus faecalis) for compound 3. The most sensitive to the activity of the substances were Gram-negative bacteria Pseudomonas aeruginosa. While none of compound effected on Candida albicans. Speaking about, reference drugs: Amikacin (30 µg/disk) showed 27 and Ceftazide (30 µg/disk) 25 against Pseudomonas aeruginosa. That is, unfortunately, higher than studied 1-(2-(1H-tetrazol-5-yl)-R1-phenyl)-3-R2-phenyl(ethyl)ureas. Obtained results will be used for further purposeful optimization of the leading compounds in the more effective antimicrobials because of the ever-mounting problem of microorganism’s resistance.

Keywords: antimicrobial, antifungal, compounds, 1-(2-(1H-tetrazol-5-yl)-R1-phenyl)-3-R2-phenyl(ethyl)ureas

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Authors: R. Kerbachi , Y. Medkour, F. Sahnoune

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The integrated waste management is an important aspect in the implementation of sustainable development. Leachate generated by sanitary landfills is a high-strength wastewater that is likely to contain large amounts of organic and inorganic matter, with humic substances, as well as ammonia nitrogen, heavy metals, chlorinated organic and inorganic salts. Untreated leachates create a great potential for harm to the environment, they can permeate ground water or mix with surface water and contribute to the pollution of soil, ground water, and surface water. In Algeria, the treatment of landfill leachate is the weakest link in the solid waste management. This study focuses on the evaluation of the pollution load carried by leachate produced in a former sanitary landfill located to the west of Algiers and the implementation of advanced oxidation treatment (advanced oxidation process, AOP), Fenton, electro-Fenton etc. The characterization of these leachates shows that they have a high organic load, mineral and nitrogen. Measured COD reaches very high values of the order of 5000 to 20,000 mg O2 / L. On this non-biodegradable leachate, treatment tests have been carried out by the methods of coagulation-flocculation, Fenton oxidation, electrocoagulation and electro-Fenton. The removal efficiencies of pollution obtained for each of these modes of treatment are respectively 69, 80, 84 and 97%. The study shows that advanced oxidation processes are very suitable for the treatment of poorly biodegradable leachate.

Keywords: advanced oxidation processes, electrocoagulation, electro-Fenton, leachates treatment, sanitary landfill

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Authors: T. M. Agbede, A. O. Adekiya

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Field experiments were conducted during 2013, 2014 and 2015 cropping seasons at Rufus Giwa Polytechnic, Owo, Ondo State, southwest Nigeria. The objective of the investigation was to determine the effect of Cocoa Pod Ash (CPA) and Poultry Manure (PM) applied solely and their combined form, as sources of fertilizers on soil properties, leaf nutrient composition, growth and yield of yam. Three soil amendments: CPA, PM (sole forms), CPA and PM (mixture), were applied at 20 t ha^-1 with an inorganic fertilizer (NPK 15-15-15) at 400 kg ha^-1 as a reference and a natural soil fertility, NSF (control). The five treatments were arranged in a randomized complete block design with three replications. The test soil was slightly acidic, low in organic carbon (OC), N, P, K, Ca and Mg. Results showed that soil amendments significantly increased (p = 0.05) tuber weights and growth of yam, soil and leaf N, P, K, Ca and Mg, soil pH and OC concentrations compared with the NSF (control). The mixture of CPA+PM treatment increased tuber weights of yam by 36%, compared with inorganic fertilizer (NPK) and 19%, compared with PM alone. Sole PM increased tuber weight of yam by 15%, compared with NPK. Sole or mixed forms of soil amendments showed remarkable improvement in soil physical properties, nutrient availability, compared with NPK and the NSF (control). Integrated application of CPA at 10 t ha^-1 + PM at 10 t ha^-1 was the most effective treatment in improving soil physical properties, increasing nutrient availability and yam performance than sole application of any of the fertilizer materials.

Keywords: cocoa pod ash, leaf nutrient composition, poultry manure, soil properties, yam

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Authors: Chinumani Choudhury

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Heavy metal contamination is an alarming problem, which poses a serious risk to human health and the surrounding geology. Soils get contaminated with heavy metals due to the un-regularized industrial discharge of the toxic metal-rich effluents. Under such a condition, the remediation of the contaminated sites becomes imperative for a sustainable, safe, and healthy environment. Phytoextraction, which involves the removal of heavy metals from the soil through root absorption and uptake, is a viable remediation technique, which ensures extraction of the toxic inorganic compound available in the soil even at low concentrations. The soil present in the Silghat Region of Assam, India, is mostly contaminated with Zinc (Zn) and Lead (Pb), having concentrations as high as to cause a serious environmental problem if proper measures are not taken. In the present study, an extensive experimental study was carried out to understand the effectiveness of two commonly planted trees in Assam, namely, i) Indian Pennywort and ii) Fenugreek, in the removal of heavy metals from the contaminated soil. The basic characterization of the soil in the contaminated site of the Silghat region was performed and the field concentration of Zn and Pb was recorded. Various long-term laboratory pot tests were carried out by sowing the seeds of Indian Pennywort and Fenugreek in a soil, which was spiked, with a very high dosage of Zn and Pb. The tests were carried out for different concentration of a particular heavy metal and the individual effectiveness in the absorption of the heavy metal by the plants were studied. The concentration of the soil was monitored regularly to assess the rate of depletion and the simultaneous uptake of the heavy metal from the soil to the plant. The amount of heavy metal uptake by the plant was also quantified by analyzing the plant sample at the end of the testing period. Finally, the study throws light on the applicability of the studied plants in the field for effective remediation of the contaminated sites of Assam.

Keywords: phytoextraction, heavy-metals, Indian pennywort, fenugreek

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Authors: Irati Barandiaran, Xabier Velasco-Iza, Galder Kortaberria

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Hybrid inorganic/organic nanostructured materials based on block copolymers are of considerable interest in the field of Nanotechnology, taking into account that these nanocomposites combine the properties of polymer matrix and the unique properties of the added nanoparticles. The use of block copolymers as templates offers the opportunity to control the size and the distribution of inorganic nanoparticles. This research is focused on the surface modification of inorganic nanoparticles to reach a good interface between nanoparticles and polymer matrices which hinders the nanoparticle aggregation. The aim of this work is to obtain a good and selective dispersion of Fe3O4 magnetic nanoparticles into different types of block copolymers such us, poly(styrene-b-methyl methacrylate) (PS-b-PMMA), poly(styrene-b-ε-caprolactone) (PS-b-PCL) poly(isoprene-b-methyl methacrylate) (PI-b-PMMA) or poly(styrene-b-butadiene-b-methyl methacrylate) (SBM) by using different grafting strategies. Fe3O4 magnetic nanoparticles have been surface-modified with polymer or block copolymer brushes following different grafting methods (grafting to, grafting from and grafting through) to achieve a selective location of nanoparticles into desired domains of the block copolymers. Morphology of fabricated hybrid nanocomposites was studied by means of atomic force microscopy (AFM) and with the aim to reach well-ordered nanostructured composites different annealing methods were used. Additionally, nanoparticle amount has been also varied in order to investigate the effect of the nanoparticle content in the morphology of the block copolymer. Nowadays different characterization methods were using in order to investigate magnetic properties of nanometer-scale electronic devices. Particularly, two different techniques have been used with the aim of characterizing synthesized nanocomposites. First, magnetic force microscopy (MFM) was used to investigate qualitatively the magnetic properties taking into account that this technique allows distinguishing magnetic domains on the sample surface. On the other hand, magnetic characterization by vibrating sample magnetometer and superconducting quantum interference device. This technique demonstrated that magnetic properties of nanoparticles have been transferred to the nanocomposites, exhibiting superparamagnetic behavior similar to that of the maghemite nanoparticles at room temperature. Obtained advanced nanostructured materials could found possible applications in the field of dye-sensitized solar cells and electronic nanodevices.

Keywords: atomic force microscopy, block copolymers, grafting techniques, iron oxide nanoparticles

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Authors: David A. Ullisch, Yantree D. Sankar-Thomas, Stefan Wilke, Thomas Selge, Matthias Pump, Thomas Leibold, Kai Schütte, Gilbert Gorr

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Plants have been considered as a source of natural substances for ages. Secondary metabolites from plants are utilized especially in medical applications but are more and more interesting as cosmetical ingredients and in the field of nutraceuticals. However, supply of compounds from natural harvest can be limited by numerous factors i.e. endangered species, low product content, climate impacts and cost intensive extraction. Especially in the pharmaceutical industry the ability to provide sufficient amounts of product and high quality are additional requirements which in some cases are difficult to fulfill by plant harvest. Whereas in many cases the complexity of secondary metabolites precludes chemical synthesis on a reasonable commercial basis, plant cells contain the biosynthetic pathway – a natural chemical factory – for a given compound. A promising approach for the sustainable production of natural products can be plant cell fermentation (PCF®). A thoroughly accomplished development process comprises the identification of a high producing cell line, optimization of growth and production conditions, the development of a robust and reliable production process and its scale-up. In order to address persistent, long lasting production, development of cryopreservation protocols and generation of working cell banks is another important requirement to be considered. So far the most prominent example using a PCF® process is the production of the anticancer compound paclitaxel. To demonstrate the power of plant suspension cultures here we present three case studies: 1) For more than 17 years Phyton produces paclitaxel at industrial scale i.e. up to 75,000 L in scale. With 60 g/kg dw this fully controlled process which is applied according to GMP results in outstanding high yields. 2) Thapsigargin is another anticancer compound which is currently isolated from seeds of Thapsia garganica. Thapsigargin is a powerful cytotoxin – a SERCA inhibitor – and the precursor for the derivative ADT, the key ingredient of the investigational prodrug Mipsagargin (G-202) which is in several clinical trials. Phyton successfully generated plant cell lines capable to express this compound. Here we present data about the screening for high producing cell lines. 3) The third case study covers ingenol-3-mebutate. This compound is found in the milky sap of the intact plants of the Euphorbiacae family at very low concentrations. Ingenol-3-mebutate is used in Picato® which is approved against actinic keratosis. Generation of cell lines expressing significant amounts of ingenol-3-mebutate is another example underlining the strength of plant cell culture. The authors gratefully acknowledge Inspyr Therapeutics for funding.

Keywords: Ingenol-3-mebutate, plant cell culture, sustainability, thapsigargin

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Authors: Junkal Gutierrez, Hernane S. Barud, Sidney J. L. Ribeiro, Agnieszka Tercjak

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Nowadays the interest on green nanocomposites and on the development of more environmental friendly products has been increased. Bacterial cellulose has been recently investigated as an attractive environmentally friendly material for the preparation of low-cost nanocomposites. The formation of cellulose by laboratory bacterial cultures is an interesting and attractive biomimetic access to obtain pure cellulose with excellent properties. Additionally, properties as molar mass, molar mass distribution, and the supramolecular structure could be control using different bacterial strain, culture mediums and conditions, including the incorporation of different additives. This kind of cellulose is a natural nanomaterial, and therefore, it has a high surface-to-volume ratio which is highly advantageous in composites production. Such property combined with good biocompatibility, high tensile strength, and high crystallinity makes bacterial cellulose a potential material for applications in different fields. The aim of this investigation work was the fabrication of novel hybrid inorganic-organic composites based on bacterial cellulose, cultivated in our laboratory, as a template. This kind of biohybrid nanocomposites gathers together excellent properties of bacterial cellulose with the ones displayed by typical inorganic nanoparticles like optical, magnetic and electrical properties, luminescence, ionic conductivity and selectivity, as well as chemical or biochemical activity. In addition, the functionalization of cellulose with inorganic materials opens new pathways for the fabrication of novel multifunctional hybrid materials with promising properties for a wide range of applications namely electronic paper, flexible displays, solar cells, sensors, among others. In this work, different pathways for fabrication of multifunctional biohybrid nanopapers with tunable properties based on BC modified with amphiphilic poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) (EPE) block copolymer, sol-gel synthesized nanoparticles (titanium, vanadium and a mixture of both oxides) and functionalized iron oxide nanoparticles will be presented. In situ (biosynthesized) and ex situ (at post-production level) approaches were successfully used to modify BC membranes. Bacterial cellulose based biocomposites modified with different EPE block copolymer contents were developed by in situ technique. Thus, BC growth conditions were manipulated to fabricate EPE/BC nanocomposite during the biosynthesis. Additionally, hybrid inorganic/organic nanocomposites based on BC membranes and inorganic nanoparticles were designed via ex-situ method, by immersion of never-dried BC membranes into different nanoparticle solutions. On the one hand, sol-gel synthesized nanoparticles (titanium, vanadium and a mixture of both oxides) and on the other hand superparamagnetic iron oxide nanoparticles (SPION), Fe2O3-PEO solution. The morphology of designed novel bionanocomposites hybrid materials was investigated by atomic force microscopy (AFM) and scanning electron microscopy (SEM). In order to characterized obtained materials from the point of view of future applications different techniques were employed. On the one hand, optical properties were analyzed by UV-vis spectroscopy and spectrofluorimetry and on the other hand electrical properties were studied at nano and macroscale using electric force microscopy (EFM), tunneling atomic force microscopy (TUNA) and Keithley semiconductor analyzer, respectively. Magnetic properties were measured by means of magnetic force microscopy (MFM). Additionally, mechanical properties were also analyzed.

Keywords: bacterial cellulose, block copolymer, advanced characterization techniques, nanoparticles

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Authors: Gani Pllana

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In the conditions of the rapid development of technics and technology in recent years, the cooperation of the scientific-technical language with the standard Albanian language is continuing with a higher intensity than before. We notice a vigor of enrichment in the vocabulary of technical terminology, due to the birth and formation of new fields and subfields of technics, technology, as computing, mechatronics, telemetry, a multitude of concepts many of which, on the one hand, are marked with names of the languages they come from, mainly from English, but on the other hand, they meet their needs with the lexical mother tongue composition (by common words being raised to terms) and with the activation of other layers, such as compound word terms. Thus, for example, in the field of computing, we notice in it the inclusion of the ordinary vocabulary for reproductive reasons, like mi, dritare, flamur, adresë, skedar (Engl: mouse, window, flag, address, file), and along with them, the compound word terms, serving to differentiate relevant concepts, like, adresë e hiperlidhjes, adresë e uebit, adresë relative, adresë virtuale (Engl. address hyperlink, web address, relative address, virtual address) etc.

Keywords: common words, Albanian language, technical terminology, standardization

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Authors: Carlos Alberto Ríos-Reyes, Efraín Casadiego-Quintero

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We propose a generalized workflow for mineralogy investigation of unconventional reservoirs using multi-scale imaging and pore-scale analyses. This workflow can be used for the integral evaluation of these resources. The Cretaceous La Luna Formation´s mudstones in the Middle Magdalena Valley Basin (Colombia) inherently show a heterogeneous pore system with organic and inorganic pores. For this reason, it is necessary to carry out the integration of high resolution 2D images of mapping by conventional petrography, scanning electron microscopy and quantitative evaluation of minerals by scanning electron microscopy to describe their organic and inorganic porosity to understand the transport mechanism through pores. The analyzed rocks show several pore types, including interparticle pores, organoporosity, intraparticle pores, intraparticle pores, and microchannels and/or microfractures. The existence of interconnected pores in pore system of these rocks promotes effective pathways for primary gas migration and storage space for residual hydrocarbons in mudstones, which is very useful in this type of gas reservoirs. It is crucial to understand not only the porous system of these rocks and their mineralogy but also to project the gas flow in order to design the appropriate strategies for the stimulation of unconventional reservoirs. Keywords: mudstones; La Luna Formation; gas storage; migration; hydrocarbon.

Keywords: mudstones, La luna formation, gas storage, migration, hydrocarbon

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Authors: Bintao Wu, Xiangfang Xu, Yugang Miao，Duanfeng Han

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Joining of 1 mm thick aluminum 6061 to titanium TC4 was conducted using Bypass-current MIG welding-brazed, and stable welding process and good bead appearance were obtained. The Joint profile and microstructure of Ti/Al joints were observed by optical microscopy and SEM and then the structure of the interfacial reaction layers were analyzed in details. It was found that the intermetallic compound layer at the interfacial top is in the form of columnar crystal, which is in short and dense state. A mount of AlTi were observed at the interfacial layer near the Ti base metal while intermetallic compound like Al3Ti、TiSi3 were formed near the Al base metal, and the Al11Ti5 transition phase was found in the center of the interface layer due to the uneven distribution inside the weld pool during the welding process. Tensile test results show that the average tensile strength of joints is up to 182.6 MPa, which reaches about 97.6% of aluminum base metal. Fracture is prone to occur in the base metal with a certain amount of necking.

Keywords: bypass-current MIG welding-brazed, Al alloy, Ti alloy, joint characteristics, mechanical properties

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Authors: Arpan Bera, Rini Ganguly, Raja Chakraborty, Amlan J. Pal

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To deal with the increasing demands for the high-density non-volatile memory devices, we need nano-sites with efficient and stable charge storage capabilities. We prepared nanocrystals (NCs) of inorganic perovskite, CsPbCl₃ coated with Cs₄PbCl₆, by colloidal synthesis. Due to the type-I band alignment at the junction, this core-shell composite is expected to behave as a charge trapping site. Using Scanning Tunneling Spectroscopy (STS), we investigated voltage-controlled resistive switching in this heterostructure by tracking the change in its current-voltage (I-V) characteristics. By applying voltage pulse of appropriate magnitude on the NCs through this non-invasive method, different resistive states of this system were systematically accessed. For suitable pulse-magnitude, the response jumped to a branch with enhanced current indicating a high-resistance state (HRS) to low-resistance state (LRS) switching in the core-shell NCs. We could reverse this process by using a pulse of opposite polarity. These two distinct resistive states can be considered as two logic states, 0 and 1, which are accessible by varying voltage magnitude and polarity. STS being a local probe in space enabled us to capture this switching at individual NC site. Hence, we claim a bright prospect of these core-shell NCs made of inorganic halide perovskites in future high density memory application.

Keywords: Core-shell perovskite, CsPbCl₃-Cs₄PbCl₆, resistive switching, Scanning Tunneling Spectroscopy

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Authors: Theresa K., Shanmugasundaram R., Kennedy J. S.

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Nutrient supplements are indispensable for raising crops and to reap determining productivity. The nutrient imbalance between replenishment and crop uptake is attempted through the input of inorganic fertilizers. Excessive dumping of inorganic nutrients in soil cause stagnant and decline in yield. Imbalanced N-P-K ratio in the soil exacerbates and agitates the soil ecosystems. The study evaluated the fertilization practices of conventional (CFs), organic and Integrated Nutrient Management system (INM) on soil quality using key indicators and soil quality indices. Twelve rice farming fields of which, ten fields were having conventional cultivation practices, one field each was organic farming based and INM based cultivated under monocropping sequence in the Thondamuthur block of Coimbatore district were fixed and properties viz., physical, chemical and biological were studied for four cropping seasons to determine soil quality index (SQI). SQI was computed for conventional, organic and INM fields. Comparing conventional farming (CF) with organic and INM, CF was recorded with a lower soil quality index. While in organic and INM fields, the higher SQI value of 0.99 and 0.88 respectively were registered. CF₄ received with a super-optimal dose of N (250%) showed a lesser SQI value (0.573) as well as the yield (3.20 t ha⁻¹) and the CF6 which received 125 % N recorded the highest SQI (0.715) and yield (6.20 t ha⁻¹). Likewise, most of the CFs received higher N beyond the level of 125 % except CF₃ and CF₉, which recorded lower yields. CFs which received super-optimal P in the order of CF₆&CF₇>CF₁&CF₁₀ recorded lesser yields except for CF₆. Super-optimal K application also recorded lesser yield in CF₄, CF₇ and CF₉.

Keywords: rice cropping system, soil quality indicators, imbalanced fertilization, yield

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Authors: Norhidayah Suleiman, Afza Zulfaka

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Zingiber officinale var. Bentong has been identified as the source of high added value compound specifically gingerol-related compounds. The extraction of the high-value compound using conventional method resulted in low yield and time consumption. Hence, the motivation for this work is to investigate the effect of the extraction technique on the essential oil from Zingiber officinale var. Bentong rhizome for commercialization purpose in many industries namely, functional food, pharmaceutical, and cosmeceutical. The investigation begins with a pre-treatment using ultrasound assisted in order to enhance the recovery of essential oil. It was conducted at a fixed frequency (20 kHz) of ultrasound with various time (10, 20, 40 min). The extraction using supercritical carbon dioxide (scCO2) were carried out afterward at a specific condition of temperature (50 °C) and pressure (30 MPa). scCO2 extraction seems to be a promising sustainable green method for the extraction of essential oil due to the benefits that CO2 possesses. The expected results demonstrated the ultrasound-assisted-scCO2 produces a higher yield of essential oil compared to solely scCO2 extraction. This research will provide important features for its application in food supplements or phytochemical preparations.

Keywords: essential oil, scCO2, ultrasound assisted, Zingiber officinale Var. Bentong

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Authors: Seyed Armin Hashemi, Somayeh Rahimzadeh

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The urban green space and environment should be considered to be among the most fundamental elements of the sustainability of natural and human life in the new citizenship. The present research is intended to evaluate the impact of irrigation using urban wastewater of Cadmium (Cd) in the soil and leaves of the pine trees of Rasht in the forest territories of Rasht. For this purpose, following the exact specification of the geographical and topographical attributes of under treatment area, 100 sample trees were implemented randomly –systematically in each compound studied. Approaching the end of growth season, five trees were selected randomly in each of the plats and samples of leaves were collected from the parts near to the end of the crown and the part which was adjacent to the light. At the foot of each of the trees selected, a soil profile was dug and samples of soil were extracted from three depths of 0-20, centimeters. The measurements done in the laboratory showed that the density of nutritious elements of the samples of leaf and soil in the compound irrigated with wastewater .The results of the present research suggest that urban can be used as a source of irrigation whereas muck can be employed in forestation and irrigation with precise and particular supervision and control.

Keywords: irrigation, forestation, urban waste water, pine, wastewater

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Authors: M. Samsami, A. Hekmatdoost, N. Ebrahimi Daryani, P. Rezanejad Asl

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Ulcerative colitis (UC) is an inflammatory bowel disease in which immune and inflammatory factors are thought to be effective in this disease. Resveratrol is an antioxidant and anti-inflammatory compound. This study determined the effects of resveratrol compound on inflammatory factors in patients with ulcerative colitis. This study was a double-blind randomized clinical trial conducted on 50 patients with UC. Subjects received one capsule daily for 6 wk of either resveratrol (500 mg) or a placebo. Inflammatory factors, anthropometric measures, and IBDQ-9 (Inflammatory Bowel Disease Questionnaire-9) scores were assessed at baseline and at the end of the study. STATA12 software was used for data analysis. No significant differences were found in the background variables between the two groups at baseline. The results indicated that resveratrol supplementation for 6 week significantly decreased plasma levels of TNF-a and hs-CRP and the activity of NF-κB over the placebo group (p<0.001). Significant differences remained after adjustment for vitamin C (p<0.0001). The IBDQ-9 scores increased significantly in the resveratrol group over the placebo group (p<0.001). The findings of this study showed that resveratrol supplementation can be useful in patients with ulcerative colitis.

Keywords: IBD, inflammation, resveratrol, ulcerative colitis

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Authors: Narasamma Nippatlapallia

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Communities across the world are desperate to get their environment free of toxic per-poly fluoroalkyl substances (PFAS) especially when these chemicals are in aqueous media. In the present study, two different chain length PFAS (PFHxA (C6), PFDA (C10)) are selected for degradation using a modified continuous flow nonthermal plasma. The results showed 82.3% PFHxA and 94.1 PFDA degradation efficiencies, respectively. The defluorination efficiency is also evaluated which is 28% and 34% for PFHxA and PFDA, respectively. The results clearly indicates that the structure of PFAS has a great impact on degradation efficiency. The effect of flow rate is studied. increase in flow rate beyond 2 mL/min, decrease in degradation efficiency of the targeted PFAS was noticed. PFDA degradation was decreased from 85% to 42%, and PFHxA was decreased to 32% from 64% with increase in flow rate from 2 to 5 mL/min. Similarly, with increase in flow rate the percentage defluorination was decreased for both C10, and C6 compounds. This observation can be attributed to mainly because of change in residence time (contact time). Real water/wastewater is a composition of various organic, and inorganic ions that may affect the activity of oxidative species such as 𝑂𝐻. radicals on the target pollutants. Therefore, it is important to consider radicals quenching chemicals to understand the efficiency of the reactor. In gas-liquid NTP discharge reactors 𝑂𝐻. , 𝑒𝑎𝑞 − , 𝑂 . , 𝑂3, 𝐻2𝑂2, 𝐻. are often considered as reactive species for oxidation and reduction of pollutants. In this work, the role played by two distinct 𝑂 .𝐻 Scavengers, ethanol and glycerol, on PFAS percentage degradation, and defluorination efficiency (i,e., fluorine removal) are measured was studied. The addition of scavenging agents to the PFAS solution diminished the PFAS degradation to different extents depending on the target compound molecular structure. In comparison with the degradation of only PFAS solution, the addition of 1.25 M ethanol inhibited C10, and C6 degradation by 8%, and 12%, respectively. This research was supported with energy efficiency, production rate, and specific yield, fluoride, and PFAS concentration analysis with respect to optimum hydraulic retention time (HRT) of the continuous flow reactor.

Keywords: wastewater, PFAS, nonthermal plasma, mineralization, defluorination

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Authors: Shasline Gedeon, Tiffany W. Ardley, Ying Wang, Nathan J. Gesmundo, Katarina A. Sarris, Ana L. Aguirre

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Drug discovery and delivery involve drug targeting, an approach that helps find a drug against a chosen target through high throughput screening and other methods by way of identifying the physical properties of the potential lead compound. Physical properties of potential drug candidates have been an imperative focus since the unveiling of Lipinski's Rule of 5 for oral drugs. Throughout a compound's journey from discovery, clinical phase trials, then becoming a classified drug on the market, the desirable properties are optimized while minimizing/eliminating toxicity and undesirable properties. In the pharmaceutical industry, the ability to generate molecules in parallel with maximum efficiency is a substantial factor achieved through sp²-sp² carbon coupling reactions, e.g., Suzuki Coupling reactions. These reaction types allow for the increase of aromatic fragments onto a compound. More recent literature has found benefits to decreasing aromaticity, calling for more sp³-sp² carbon coupling reactions instead. The objective of this project is to provide a comparison between various sp³-sp² carbon coupling methods and reaction conditions, collecting data on production of the desired product. There were four different coupling methods being tested amongst three cores and 4-5 installation groups per method; each method ran under three distinct reaction conditions. The tested methods include the Photoredox Decarboxylative Coupling, the Photoredox Potassium Alkyl Trifluoroborate (BF3K) Coupling, the Photoredox Cross-Electrophile (PCE) Coupling, and the Weix Cross-Electrophile (WCE) Coupling. The results concluded that the Decarboxylative method was very difficult in yielding product despite the several literature conditions chosen. The BF3K and PCE methods produced competitive results. Amongst the two Cross-Electrophile coupling methods, the Photoredox method surpassed the Weix method on numerous accounts. The results will be used to build future libraries.

Keywords: drug discovery, high throughput chemistry, photoredox chemistry, sp³-sp² carbon coupling methods

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Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: M. Shirinbayan, J. Fitoussi, N. Abbasnezhad, A. Lucas, A. Tcharkhtchi

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Sheet Molding Compounds (SMCs) with special microstructures are very attractive to use in automobile structures especially when they are accidentally subjected to collision type accidents because of their high energy absorption capacity. These are materials designated as standard SMC, Advanced Sheet Molding Compounds (A-SMC), Low-Density SMC (LD-SMC) and etc. In this study, testing methods have been performed to compare the mechanical responses and damage phenomena of SMC, LD-SMC, and A-SMC under quasi-static and high strain rate tensile tests. The paper also aims at investigating the effect of an initial pre-damage induced by fatigue on the tensile dynamic behavior of A-SMC. In the case of SMCs and A-SMCs, whatever the fibers orientation and applied strain rate are, the first observed phenomenon of damage corresponds to decohesion of the fiber-matrix interface which is followed by coalescence and multiplication of these micro-cracks and their propagations. For LD-SMCs, damage mechanisms depend on the presence of Hollow Glass Microspheres (HGM) and fibers orientation.

Keywords: SMC, Sheet Molding Compound, LD-SMC, Low-Density SMC, A-SMC, Advanced Sheet Molding Compounds, HGM, Hollow Glass Microspheres, damage

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Authors: Roland Tolulope Loto, Cleophas Akintoye Loto, Abimbola Patricia Popoola

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The inhibiting action of 2-dimethylamine on the electrochemical behaviour of austenitic stainless steel (type 304) in dilute hydrochloric was evaluated through weight-loss method, open circuit potential measurement and potentiodynamic polarization tests at specific concentrations of the organic compound. Results obtained reveal that the compound performed effectively giving a maximum inhibition efficiency of 79% at 12.5% concentration from weight loss analysis and 80.9% at 12.5% concentration from polarization tests. The average corrosion potential of -321 mV was obtained the same concentration from other tests which is well within passivation potentials on the steel thus, providing good protection against corrosion in the acid solutions. 2-dimethylamine acted through physiochemical interaction at the steel/solution interface from thermodynamic calculations and obeyed the Langmuir adsorption isotherm. The values of the inhibition efficiency determined from the three methods are in reasonably good agreement. Polarization studies showed that the compounds behaved as cathodic type inhibitor.

Keywords: corrosion, 2-dimethylamine, inhibition, adsorption, hydrochloric acid, steel

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Authors: Spandan Sahu, Amiya Kumar Pati, Kishanjit Kumar Khatua

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Rivers are the backbone of human civilization as well as one of the most important components of nature. In this paper, a method for predicting lateral depth-averaged velocity distribution in a two-flow braided compound channel is proposed. Experiments were conducted to study the boundary shear stress in the tip of the two flow path. The cross-section of the channel is divided into several panels to study the flow phenomenon on both the main channel and the flood plain. It can be inferred from the study that the flow coefficients get affected by boundary shear stress. In this study, the analytical solution of Shiono and knight (SKM) for lateral distributions of depth-averaged velocity and bed shear stress has been taken into account. The SKM is based on hydraulic parameters, which signify the bed friction factor (f), lateral eddy viscosity, and depth-averaged flow. While applying the SKM to different panels, the equations are solved considering the boundary conditions between panels. The boundary shear stress data, which are obtained from experimentation, are compared with CES software, which is based on quasi-one-dimensional Reynold's Averaged Navier-Stokes (RANS) approach.

Keywords: boundary shear stress, lateral depth-averaged velocity, two-flow braided compound channel, velocity distribution

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Authors: Remi Safi, Aline Hamade, Najat Bteich, Jamal El Saghir, Mona Diab Assaf, Marwan El-Sabban, Fadia Najjar

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Estrogen is considered a risk factor for breast cancer since it promotes breast-cell proliferation. The jaesckeanadiol-3-p-hydroxyphenylpropanoate, a hemi-synthetic analogue of the natural phytoestrogen ferutinin (jaesckeanadiol-p-hydroxybenzoate), is designed to be devoid of estrogenic activity. This analogue induces a cytotoxic effect 30 times higher than that of ferutinin towards MCF-7 breast cancer cell line. We compared these two compounds with respect to their effect on proliferation, cell cycle distribution and cancer stem-like cells in the MCF-7 cell line. Treatment with ferutinin (30 μM) and its analogue (1 μM) produced a significant accumulation of cells at the pre G0/G1 cell cycle phase and triggered apoptosis. Importantly, this compound retains its anti-proliferative activity against breast cancer stem/progenitor cells that are naturally insensitive to ferutinin at the same dose. These results position ferutinin analogue as an effective compound inhibiting the proliferation of estrogen-dependent breast cancer cells and consistently targeting their stem-like cells.

Keywords: ferutinin, hemi-synthetic analogue, breast cancer, estrogen, stem/progenitor cells

Procedia PDF Downloads 189

Authors: Aidan Battison, Neliswa Mama

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Environmental pollution by ionic species has been identified as one of the biggest challenges to the sustainable development of communities. The widespread use of organic and inorganic chemical products and the release of toxic chemical species from industrial waste have resulted in a need for advanced monitoring technologies for environment protection, remediation and restoration. Some of the disadvantages of conventional sensing methods include expensive instrumentation, well-controlled experimental conditions, time-consuming procedures and sometimes complicated sample preparation. On the contrary, the development of fluorescent chemosensors for biological and environmental detection of metal ions has attracted a great deal of attention due to their simplicity, high selectivity, eidetic recognition, rapid response and real-life monitoring. Coumarin derivatives S1 and S2 (Scheme 1) containing 1,2,3-triazole moieties at position -3- have been designed and synthesized from azide and alkyne derivatives by CuAAC “click” reactions for the detection of metal ions. These compounds displayed a strong preference for Fe3+ ions with complexation resulting in fluorescent quenching through photo-induced electron transfer (PET) by the “sphere of action” static quenching model. The tested metal ions included Cd2+, Pb2+, Ag+, Na+, Ca2+, Cr3+, Fe3+, Al3+, Cd2+, Ba2+, Cu2+, Co2+, Hg2+, Zn2+ and Ni2+. The detection limits of S1 and S2 were determined to be 4.1 and 5.1 uM, respectively. Compound S1 displayed the greatest selectivity towards Fe3+ in the presence of competing for metal cations. S1 could also be used for the detection of Fe3+ in a mixture of CH3CN/H¬2¬O. Binding stoichiometry between S1 and Fe3+ was determined by using both Jobs-plot and Benesi-Hildebrand analysis. The binding was shown to occur in a 1:1 ratio between the sensor and a metal cation. Reversibility studies between S1 and Fe3+ were conducted by using EDTA. The binding site of Fe3+ to S1 was determined by using 13 C NMR and Molecular Modelling studies. Complexation was suggested to occur between the lone-pair of electrons from the coumarin-carbonyl and the triazole-carbon double bond.

Keywords: chemosensor, "click" chemistry, coumarin, fluorescence, static quenching, triazole

Procedia PDF Downloads 163

Authors: D.Rached, M.Rabah

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First principles calculations are carried out to investigate the structural, electronic, and elastic properties of the utraincompressible materials, namely, noble metal carbide of Rhenium carbide (ReC) in four phases, the rocksalt (NaCl-B1), zinc blende (ZB-B2), the tungsten carbide(Bh) (WC), and the nickel arsenide (NiAs-B8).The ground state properties such as the equilibrium lattice constant, elastic constants, the bulk modulus its pressure derivate, and the hardness of ReC in these phases are systematically predicted by calculations from first–principles. The corresponding calculated bulk modulus is comparable with that of diamond, especially for the B8 –type rhenium carbide (ReC), the incompressibility along the c axis is demonstrated to exceed the linear incompressibility of diamond. Our calculations confirm in the nickel arsenide (B8) structure the ReC is found to be stable with a large bulk modulus B=440 GPa and the tungsten carbide (WC) structure becomes the most more favourable with to respect B3 and B1 structures, which ReC- WC is meta-stable. Furthermore, the highest bulk modulus values in the zinc blende (B3), rock salt (B1), tungsten carbide (WC), and the nickel arsenide (B8) structures (294GPa, 401GPa, 415GPa and 447 GPa, respectively) indicates that ReC is a hard material, and is superhard compound H(B8)= 36 GPa compared with the H(diamond)=96 GPa and H(c BN)=63.10 GPa.

Keywords: DFT, FP-LMTO, mechanical properties, elasticity, high pressure, thermodynamic properties, hard material

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Authors: Adesola O. Orimoloye, Mohammed N. Kajama, Edward Gobina

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Gas permeation of Oxygen [O2] and Nitrogen [N2] were investigated at room temperature using 15 and 6000nm pore diameter tubular commercial alumina ceramic membranes with pressure values ranging 1.00 to 2.50 bar. The flow rates of up to 2.59 and 2.77 l/min were achieved for O2 and N2 respectively. The ratio of O2/N2 flow rates were used to compute the O2/N2 selectivity. The experimental O2/N2 selectivity obtained for 15 nm was 1.05 while the 6000 nm indicated 0.95.

Keywords: gas separation, nitrogen, oxygen, selectivity

Procedia PDF Downloads 360

Authors: Anies Mutiari, Neha Bansal, Martin Artner, Veronika Mayer, Juergen Roth, Mathias Weil, Rachmat Adhi Wibowo

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Cu₂ZnSnS₄ (CZTS) compound (mineral name kesterite) has attracted considerable interests for photovoltaic application owing to its optoelectrical properties. Moreover, its elemental abundance in Earth’s crust offers a comparative advantage for envisaged large-scale photovoltaic deployment without any material shortage issues. In this contribution, we present an innovative route to prepare CZTS solar absorber layer for photovoltaic application from low-cost and up-scalable process. CZTS layers were spin coated on the Molybdenum-coated glass from two inks composed of different solvents; dimethylsulfoxide (DMSO) and ultrapure water. Into each solvent; 0.57M CuCl₂, 0.39M ZnCl₂, 0.53M SnCl₂, and 1.85M Thiourea or Na₂S₂O₃, as well as pre-synthesized CZTS nanopowder, were added as sources of Cu, Zn, Sn and S in the ink. The crystallisation of ink into CZTS dense layers was carried out by firstly annealing the as-deposited CZTS layer in open air at 300°C for 1 minute, followed by sulfurisation at 560–620°C under atmospheric pressure for 120 minutes. Complementary electron microscopy, grazing incidence X-ray diffraction and Raman spectroscopy investigations suggest that both solvents can be used for preparing high quality and device relevant CZTS solar absorber layers. The sulphurisation crystallizes the as-deposited CZTS into highly polycrystalline CZTS layer with tetragonal structure demonstrated by the presence of tetrahedrally-shaped grains with the size of 1 µm. An advancement of the CZTS layer preparation was made by gradual substitution of volatile organic compound solvent of DMSO with ultrapure water. It is revealed that by using similar air annealing and sulphurisation process, dense and compact CZTS layers can also be fabricated from an ink with reduced volatile organic compound content.

Keywords: kesterite, solar ink, spin coating, photovoltaics

Procedia PDF Downloads 171

Authors: Patrick Mueller, Alan Martin, Justin Stockwell, Robert Goldblatt

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Elevated concentrations of inorganic nitrogen (N) compounds (nitrate, nitrite, and ammonia) are a ubiquitous feature to mine-influenced drainages due to the leaching of blasting residues and use of cyanide in the milling of gold ores. For many mines, the management of N is a focus for environmental protection, therefore understanding the factors controlling the speciation and behavior of N is central to effective decision making. In this paper, the passive attenuation of ammonia and nitrite is described for three northern water bodies (two lakes and a tailings pond) influenced by mining activities. In two of the water bodies, inorganic N compounds originate from explosives residues in mine water and waste rock. The third water body is a decommissioned tailings impoundment, with N compounds largely originating from the breakdown of cyanide compounds used in the processing of gold ores. Empirical observations from water quality monitoring indicate nitrification (the oxidation of ammonia to nitrate) occurs in all three waterbodies, where enrichment of nitrate occurs commensurately with ammonia depletion. The N species conversions in these systems occurred more rapidly than chemical oxidation kinetics permit, indicating that microbial mediated conversion was occurring, despite the cool water temperatures. While nitrification of ammonia and nitrite to nitrate was the primary process, in all three waterbodies nitrite was consistently present at approximately 0.5 to 2.0 % of total N, even following ammonia depletion. The persistence of trace amounts of nitrite under these conditions suggests the co-occurrence denitrification processes in the water column and/or underlying substrates. The implications for N management in mine waters are discussed.

Keywords: explosives, mining, nitrification, water

Procedia PDF Downloads 319

Authors: Sree Bash Chandra Debnath, Didier Tonneau, Carole Fauquet, Agnes Tallet, Julien Darreon

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Purpose: Inorganic scintillating dosimetry is the most recent promising technique to solve several dosimetric issues and provide quality assurance in radiation therapy. Despite several advantages, the major issue of using scintillating detectors is the Cerenkov effect, typically induced in the visible emission range. In this context, the purpose of this research work is to evaluate the performance of a novel infrared inorganic scintillator detector (IR-ISD) in the radiation therapy treatment to ensure Cerenkov free signal and the best matches between the delivered and prescribed doses during treatment. Methods: A simple and small-scale infrared inorganic scintillating detector of 100 µm diameter with a sensitive scintillating volume of 2x10-6 mm3 was developed. A prototype of the dose verification system has been introduced based on PTIR1470/F (provided by Phosphor Technology®) material used in the proposed novel IR-ISD. The detector was tested on an Elekta LINAC system tuned at 6 MV/15MV and a brachytherapy source (Ir-192) used in the patient treatment protocol. The associated dose rate was measured in count rate (photons/s) using a highly sensitive photon counter (sensitivity ~20ph/s). Overall measurements were performed in IBATM water tank phantoms by following international Technical Reports series recommendations (TRS 381) for radiotherapy and TG43U1 recommendations for brachytherapy. The performance of the detector was tested through several dosimetric parameters such as PDD, beam profiling, Cerenkov measurement, dose linearity, dose rate linearity repeatability, and scintillator stability. Finally, a comparative study is also shown using a reference microdiamond dosimeter, Monte-Carlo (MC) simulation, and data from recent literature. Results: This study is highlighting the complete removal of the Cerenkov effect especially for small field radiation beam characterization. The detector provides an entire linear response with the dose in the 4cGy to 800 cGy range, independently of the field size selected from 5 x 5 cm² down to 0.5 x 0.5 cm². A perfect repeatability (0.2 % variation from average) with day-to-day reproducibility (0.3% variation) was observed. Measurements demonstrated that ISD has superlinear behavior with dose rate (R2=1) varying from 50 cGy/s to 1000 cGy/s. PDD profiles obtained in water present identical behavior with a build-up maximum depth dose at 15 mm for different small fields irradiation. A low dimension of 0.5 x 0.5 cm² field profiles have been characterized, and the field cross profile presents a Gaussian-like shape. The standard deviation (1σ) of the scintillating signal remains within 0.02% while having a very low convolution effect, thanks to lower sensitive volume. Finally, during brachytherapy, a comparison with MC simulations shows that considering energy dependency, measurement agrees within 0.8% till 0.2 cm source to detector distance. Conclusion: The proposed scintillating detector in this study shows no- Cerenkov radiation and efficient performance for several radiation therapy measurement parameters. Therefore, it is anticipated that the IR-ISD system can be promoted to validate with direct clinical investigations, such as appropriate dose verification and quality control in the Treatment Planning System (TPS).

Keywords: IR-Scintillating detector, dose measurement, micro-scintillators, Cerenkov effect

Procedia PDF Downloads 182

Authors: Spandan Sahu, Amiya Kumar Pati, Kishanjit Kumar Khatua

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River is our main source of water which is a form of open channel flow and the flow in open channel provides with many complex phenomenon of sciences that needs to be tackled such as the critical flow conditions, boundary shear stress and depth averaged velocity. During floods, part of a river is carried by the simple main channel and rest is carried by flood plains. For such compound asymmetric channels, the flow structure becomes complicated due to momentum exchange between main channel and adjoining flood plains. Distribution of boundary shear in subsections provides us with the concept of momentum transfer between the interface of main channel and the flood plains. Experimentally, to get better data with accurate results are very complex because of the complexity of the problem. Hence, CES software has been used to tackle the complex processes to determine the shear stresses at different sections of an open channel having asymmetric flood plains on both sides of the main channel and the results is compared with the symmetric flood plains for various geometrical shapes and flow conditions. Error analysis is also performed to know the degree of accuracy of the model implemented.

Keywords: depth average velocity, non prismatic compound channel, relative flow depth, velocity distribution

Procedia PDF Downloads 152

Authors: Y. Hajjam, I. T. Alami, S. M. Udupa, S. Cherkaoui

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Faba bean (Vicia faba L.) is an important food legume crop in Morocco. It is mainly used as human food and feed for animals. Faba bean also plays an important role in cereal-based cropping systems, when rotated with cereals it improves soil fertility by fixing N2 in root nodules mediated by Rhizobium. Both faba bean and its biological nitrogen fixation symbiotic bacterium Rhizobium are affected by different stresses such as: salinity, drought, pH, heavy metal, and the uptake of inorganic phosphate compounds. Therefore, the aim of the present study was to evaluate the phenotypic diversity among the faba bean rhizobial isolates and to select the tolerant strains that can fix N2 under environmental constraints for inoculation particularly for affected soils, in order to enhance the productivity of faba bean and to improve soil fertility. Result have shown that 62% of isolates were fast growing with the ability of producing acids compounds , while 38% of isolates are slow growing with production of alkalins. Moreover, 42.5% of these isolates were able to solubilize inorganic phosphate Ca3(PO4)2 and the index of solubilization was ranged from 2.1 to 3.0. The resistance to extreme pH, temperature, water stress heavy metals and antibiotics lead us to classify rhizobial isolates into different clusters. Finally, the authentication test under greenhouse conditions showed that 55% of the rhizobial isolates could induce nodule formation on faba bean (Vicia faba L.) under greenhouse experiment. This phenotypic characterization may contribute to improve legumes and non legumes crops especially in affected soils and also to increase agronomic yield in the dry areas.

Keywords: rhizobia, vicia faba, phenotypic characterization, nodule formation, environmental constraints

Procedia PDF Downloads 251