Search results for: quantum chemical

Authors: Abdelkader T. Ahmed

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Phosphate Rocks (PR) are natural sediment rocks. These rocks contain several chemical compositions of heavy metals and radioactive elements. Mining and transportation these rocks beside or through the natural water streams may lead to water contamination. When PR is in contact with water in the field, as a consequence of precipitation events, changes in water table or sinking in water streams, elements such as salts and heavy metals, may be released to the water. In this work, the leaching properties of PR in Nile River water was investigated by experimental lab work. The study focused on evaluating potential environmental impacts of some constituents, including phosphors, cadmium, curium and lead of PR on the water quality of Nile by applying tank leaching tests. In these tests the potential impact of changing conditions, such as phosphate content in PR, liquid to solid ratio (L/S) and pH value, was studied on the long-term release of heavy metals and salts. Experimental results showed that cadmium and lead were released in very low concentrations but curium and phosphors were in high concentrations. Results showed also that the release rate from PR for all constituents was low even in long periods.

Keywords: leaching tests, Nile river, phosphate rocks, water quality

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Authors: Niki K. Burns, James R. Pearson, Paul G. Stevenson, Xavier A. Conlan

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In Australian state Victoria, synthetic cannabinoids have recently been made illegal under an amendment to the drugs, poisons and controlled substances act 1981. Identification of synthetic cannabinoids in popular brands of ‘incense’ and ‘potpourri’ has been a difficult and challenging task due to the sample complexity and changes observed in the chemical composition of the cannabinoids of interest. This study has developed analytical methodology for the targeted extraction and determination of synthetic cannabinoids available pre-ban. A simple solvent extraction and solid phase extraction methodology was developed that selectively extracted the cannabinoid of interest. High performance liquid chromatography coupled with UV‐visible and chemiluminescence detection (acidic potassium permanganate and tris (2,2‐bipyridine) ruthenium(III)) were used to interrogate the synthetic cannabinoid products. Mass spectrometry and nuclear magnetic resonance spectroscopy were used for structural elucidation of the synthetic cannabinoids. The tris(2,2‐bipyridine)ruthenium(III) detection was found to offer better sensitivity than the permanganate based reagents. In twelve different brands of herbal incense, cannabinoids were extracted and identified including UR‐144, XLR 11, AM2201, 5‐F‐AKB48 and A796‐260.

Keywords: electrospray mass spectrometry, high performance liquid chromatography, solid phase extraction, synthetic cannabinoids

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Authors: Richard Maguire

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This research evaluates the efficiency of using mobile HEPA filters to reduce localized Particulate Matter (PM), Total Volatile Organic Chemical (TVOC) and Formaldehyde (HCHO) Air Pollution. The research is being performed using a standard HEPA filter that is tube fitted and attached to a motor vehicle. The velocity of the vehicle is used to generate the pressure difference that allows the filter to remove PM, VOC and HCOC pollution from the localized atmosphere of a road transport traffic route. The testing has been performed on a sample of traffic routes in Non-Sparse and Sparse urban environments within the UK. Pre and Post filter measuring of the PM2.5 Air Quality has been carried out along with demographics of the climate environment, including live filming of the traffic conditions. This provides a base line for future national and international research. The effectiveness measurement is generated through evaluating the difference in PM2.5 Air Quality measured pre- and post- the mobile filter test equipment. A series of further research opportunities and future exploitation options are made based on the results of the research.

Keywords: high efficiency particulate air, HEPA filter, particulate matter, traffic pollution

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Authors: Arifa Batool, Ghulam Hussain Bhatti, Syed Mujtaba Shah

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Inorganic n-type (TiO2, CdO) and p-type (NiO, CuO) metal oxide nanoparticles were synthesized by a facile wet chemical method at room temperature. The morphological, compositional, structural and optical properties were investigated by scanning electron microscopy, energy dispersive X-ray spectroscopy, FT-IR, XRD analysis, UV/Visible and fluorescence spectroscopy. All semiconducting nanoparticles were photosensitized with Ru (II) based Z907 dye in ethanol solvent by grafting. Grafting of dye on the surface of nanoparticles was confirmed by UV/Visible and FT-IR spectroscopy. The synthesized photo-active nanohybrid was thoroughly blended with P3HT, a solid electrolyte and I-V measurements under solar stimulated radiations 1000 W/m2 (AM 1.5) were recorded. Maximum incident photon to current conversion efficiency (IPCE) of 0.9% was achieved with dye functionalized Z907-TiO2 hybrid, IPCE of 0.72% was achieved with bulk-heterojunction of TiO2-Z907-CuO and IPCE of 0.68% was attained with nanocomposite of TiO2-CdO. TiO2 based Solar cells have maximum Jscvalue i.e.4.63 mA/cm2. Dye-functionalized TiO2-based photovoltaic devices were found more efficient than the reference device but the morphology of the device was a major check in progress.

Keywords: solar cell, bulk heterojunction, nanocomposites, photosensitization, dye sensitized solar cell

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Authors: Gagan Dhawan

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Mycobacterium tuberculosis was described as ‘captain of death’ with an inherent property of multiple drug resistance majorly caused by the competent mechanism of efflux pumps. In this study, various open source tools combining chemo-informatics with bioinformatics were used for efficient in-silico drug designing. The efflux pump, Rv1218c, belonging to the ABC transporter superfamily, which is predicted to be a tetronasin-transporter in M. tuberculosis was targeted. Recent studies have shown that Rv1218c forms a complex with two more efflux pumps (Rv1219c and Rv1217c) to provide multidrug resistance to the bacterium. The 3D structure of the protein was modeled (as the structure was unavailable in the previously collected databases on this gene). The TMHMM analysis of this protein in TubercuList has shown that this protein is present in the outer membrane of the bacterium. Virtual screening of compounds from various publically available chemical libraries was performed on the M. tuberculosis protein using various open source tools. These ligands were further assessed where various physicochemical properties were evaluated and analyzed. On comparison of different physicochemical properties, toxicity and docking, the ligand 2-(hydroxymethyl)-6-[4, 5, 6-trihydroxy-2-(hydroxymethyl) tetrahydropyran-3-yl] oxy-tetrahydropyran-3, 4, 5-triol was found to be best suited for further studies.

Keywords: drug resistance, efflux pump, molecular docking, virtual screening

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Authors: N. Meziou-Chebouti, A. Merabet, Y. Chebouti N. Behidj

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This work is a contribution to the knowledge of physicochemical characteristics of mature carob followed by evaluation of the activity, antimicrobial phenolics leaves and green pods of Ceratonia siliqua L. physicochemical study shows that mature carob it has a considerable content of sugar (50.90%), but poor in proteins (7%), fat (8%) and also has a high mineral content. The results obtained from phenolic extracts of leaves and green pods of Ceratonia siliqua L. show a wealth leaf phenolic extract especially flavonoids (0,545 mg EqQ/g) relative to the extract of green pods (0,226 mgEqQ/g). Polyphenols leaves have a slightly inhibitory effect on the growth of strains: Staphylococcus aureus, Escherichia coli, Klebsiella pneumoiae, Streptococcus sp and Sanmonella enteritidis, a strong inhibitory effect on the growth of Pseudomonas strain aerogenosa. Moreover, polyphenols pod have a slightly inhibitory effect on the growth of Streptococcus sp strains, Pseudomonas and aerogenosa Sanmonella enteritidis, a slightly inhibitory effect on the growth of Klebsiella pneumoniae strains, E. coli and Staphylococcus aureus.

Keywords: antimicrobial activity, bacteria, clove, Ceratonia siliqua, polyphenols

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Authors: Johannes Full, Martin Reisinger, Alexander Sauer, Robert Miehe

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The use of biogenic residues for the biotechnological production of chemical energy carriers for electricity and heat generation as well as for mobile applications is an important lever for the shift away from fossil fuels towards a carbon dioxide neutral post-fossil future. A multitude of promising biotechnological processes needs, therefore, to be compared against each other. For this purpose, a multi-objective target system and a corresponding methodology for the evaluation of the underlying key figures are presented in this paper, which can serve as a basis for decisionmaking for companies and promotional policy measures. The methodology considers in this paper the economic and ecological potential of bio-hydrogen production using the example of hydrogen production from fruit and milk production waste with the purple bacterium R. rubrum (so-called dark photosynthesis process) for the first time. The substrate used in this cost-effective and scalable process is fructose from waste material and waste deposits. Based on an estimation of the biomass potential of such fructose residues, the new methodology is used to compare different scenarios for the production and usage of bio-hydrogen through the considered process. In conclusion, this paper presents, at the example of the promising dark photosynthesis process, a methodology to evaluate the ecological and economic potential of biotechnological production of bio-hydrogen from residues and waste.

Keywords: biofuel, hydrogen, R. rubrum, bioenergy

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Authors: A. Tarantino, F. Lops, G. Disciglio, E. Tarantino

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Apulia region (southern Italy) is excellent for heavy production of apricot (Prunus armeniaca L.). Fruit quality is a combination of physical, chemical and nutritional characteristics. The present experiment was laid in the commercial orchard in Cerignola (Foggia district, Apulia region, 41°15’49’’N; 15°53’59’’E; 126 a.s.l.) during the 2014-2015 season. The experiment consisted of the use of three biostimulant treatments (Hendophyt®, Ergostim® and Radicon®) compared with untreated control on ‘Farbaly’ apricot cultivar, in order to evaluate the vegeto-productive and fruit qualitative attributes. Foliar spray of biostimulants was applied at different times during the growth season (at red ball, fruit setting and fruit development stages). Experimental data showed some specific differences among the biostimulant treatments, which fruit set, growth and productivity were affected. Moderate influences were found regarding the qualitative attributes of fruits. The soluble solid content was positively affected by Hendophyt® treatment. Antioxidant capacity was significantly higher in Hendophyt® and Radicon® treatments respect to the untreated control.

Keywords: Prunus Armeniaca L., biostimulants, fruit set, fruit quality

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Authors: Rafat M. Mohareb

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Several D-ring alkylated estrone analogues display exceptionally high affinity for estrogen receptors. In particular, compounds in which an E-ring is formed are known to be involved in the inhibition of steroidogenic enzymes. Such compounds also have an effect on steroid dehydrogenase activity and the ability to inhibit the detrimental action of the steroid sulfatase enzyme. Generally, E-ring extended steroids have been accessed by modification of the C17-ketone in the D-ring by either arylimine or oximino formation, addition of a carbon nucleophile or hydrazone formation. Other approaches have included ketone reduction, silyl enol ether formation or ring-closing metathesis (giving five- or six-membered E-rings). Chemical modification of the steroid D-ring provides a way to alter the functional groups, sizes and stereochemistry of the D-ring, and numerous structure-activity relationships have been established by such synthetic alterations. Steroids bearing heterocycles fused to the D-ring of the steroid nucleus have been of pharmaceutical interest. In the present paper, we report on the efficient synthesis of estrone possessing pyran, pyrimidine and thiazole ring systems. This study focused on the synthesis and biochemical evaluation of newly synthesized heterocyclic compounds which were then subjected through inhibitory evaluations towards human cancer and normal cell lines.

Keywords: estrone, heterocyclization, cytotoxicity, biomedicine

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Authors: T. Varazi, M. Pruidze, M. Kurashvili, N. Gagelidze, M. Sutton

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The complex phytoremediation approach given in the presented work implies joint application of natural sorbents, microorganisms, natural biosurfactants and plants. The approach is based on using the natural mineral composites, microorganism strains with high detoxification abilities, plants-phytoremediators and natural biosurfactants for enhancing the uptake of intermediates of pollutants by plant roots. In this complex strategy of phytoremediation technology, the sorbent serves to uptake and trap the pollutants and thus restrain their emission in the environment. The role of microorganisms is to accomplish the first stage biodegradation of organic contaminants. This is followed by application of a phytoremediation technology through purposeful planting of selected plants. Thus, using of different tools will provide restoration of polluted environment and prevention of toxic compounds’ dissemination from hotbeds of pollution for a considerable length of time. The main idea and novelty of the carried out work is the development of a new approach for the ecological safety. The wide spectrum of contaminants: Organochlorine pesticide – DDT, heavy metal –Cu, oil hydrocarbon (hexadecane) and wax have been used in this work. The presented complex biotechnology is important from the viewpoint of prevention, providing total rehabilitation of soil. It is unique to chemical pollutants, ecologically friendly and provides the control of erosion of soils.

Keywords: bioremediation, phytoremediation, pollutants, soil contamination

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Authors: Med. A. Djeridane, M. Ferhat, H. A. Benhorma, O. Bouledroua

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This research is dedicated to exploring the failure of a turbine blade within a gas transportation plant, with a primary focus on conducting a comprehensive examination through advanced metallurgical and mechanical analyses of the identified failed blade. Crafted from the nickel superalloy Inconel IN738LC, the turbine engine had accumulated approximately 61,000 operational hours before the blades failed, causing severe damage to the transportation plant and necessitating a prolonged shutdown. The investigative procedure commenced with an in-depth visual inspection of the blade surfaces, succeeded by fractography analysis of the fracture surfaces, microstructural investigations, chemical analysis, and hardness measurements. The findings unveiled distinctive fatigue marks on the fracture surface. Critical microstructural changes were identified as a consequence of the blade's operation at high temperatures. The investigation determined that the crack initiation resulted from coating damage at the leading edge, subsequently propagating through fatigue. Ultimately, due to a reduction in cross-sectional area, the fracture was completed. This comprehensive analysis sheds light on the intricate factors contributing to turbine blade failure and offers valuable insights for enhancing operational reliability in similar environments.

Keywords: gas turbine, blade failure, TCP phases, fatigue, quantitative analysis

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Authors: El-Sohaimy Sobhy A., Androsova Natalia, Toshev Abuvali Djabarovec

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The conditions of the isolation of proteins from the hemp seeds were optimized in the current work. Moreover, the physicochemical and functional properties of hemp protein isolate were evaluated for its potential application in food manufacturing. The elastin protein is the most predominant protein in the protein profile with a molecular weight of 58.1 KDa, besides albumin, with a molecular weight of 31.5 KDa. The FTIR spectrum detected the absorption peaks of the amide I in 1750 and 1600 cm⁻¹, which pointed to C=O stretching while N-H was stretching at 1650-1580 cm⁻¹. The peak at 3250 was related to N-H stretching of primary aliphatic amine (3400-3300 cm⁻¹), and the N-H stretching for secondary (II) amine appeared at 3350-3310 cm⁻¹. Hemp protein isolate (HPI) was showed high content of arginine (15.52 g/100 g), phenylalanine+tyrosine (9.63 g/100 g), methionine + cysteine (5.49 g/100 g), leucine + isoleucine (5.21 g/100 g) and valine (4.53 g/100 g). It contains a moderate level of threonine (3.29 g/100 g) and lysine (2.50 g/100 g), with the limiting amino acid being a tryptophan (0.22 g/100 g HPI). HPI showed high water-holding capacity (4.5 ± 2.95 ml/g protein) and oil holding capacity (2.33 ± 1.88 ml/g) values. The foaming capacity of HPI was increased with increasing the pH values to reach the maximum value at pH 11 (67.23±3.20 %). The highest emulsion ability index of HPI was noted at pH 9 (91.3±2.57 m2/g) with low stability (19.15±2.03).

Keywords: Cannabis sativa ssp., protein isolate, isolation conditions, amino acid composition, chemical properties, functional properties

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Authors: Marwan Keshlaf, Hassan Fellah

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This study was designed to test whether hive bottom boards modified with polyvinyl chloride pipe or screen-mesh reduces number of Varroa mites in naturally infested honeybee colonies comparing to chemical control. Fifty six colonies distributed equally between two location each received one of four experimental treatment 1) conventional solid board “control”, 2) Apistan in conventional solid board, 3) Mesh bottom board and 4) tube bottom board. Varroa infestation level on both adult bees and on capped brood was estimated. Stored pollen, capped brood area and honey production were also measured. Results of varroa infestation were inconsistent between apiaries. In apiary 1, colonies with Apistan had fewer Varroa destructor than other treatments, but this benefit was not apparent in Apiary 2. There were no effects of modified bottom boards on bee flight activity, brood production, honey yield and stored pollen. We conclude that the efficacy of modified bottom boards in reducing varroa mites population in bee colonies remains uncertain due to observed differences of hygienic behavior.

Keywords: Apis mellifera, modified bottom boards, Varroa destructor, Honeybee colonies

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Authors: Su-Ning Wang, Yao-Qiang Chen

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The CeO2-ZrO2-La2O3-Al2O3 composite oxides are synthesized using co-precipitation method by two different reactors (i.e. continuous stirred-tank reactor and batch reactor), and the corresponding Rh-only three-way catalysts are obtained by wet-impregnation approach. The textural, structural, morphology and redox properties of the support materials, as well as the catalytic performance of the Rh-only catalyst are investigated systematically. The results reveal that the materials (CZLA-C) synthesized by continuous stirred-tank reactor have a better physic-chemical properties than the counterpart material (CZLA-B) prepared by batch reactor. After aging treatment at 1000 ℃ for 5 h, the BET surface area and pore volume of S1 reach up to 76 m2 g-1 and 0.36 mL/g, respectively, which is higher than that of S2. The XRD and Raman results demonstrate that a high structural stability is obtained by S1 because of the negligible lattice variation and the slight grain growth after aging treatment. The SEM and TEM images display that the morphology of S1 is assembled by many homogeneous primary nanoparticles (about 6.12 nm) that are connected to form mesoporous structure The TPR measurement shows that S1 possesses a higher reduction ability than S2. Compared with the catalyst supported on the CZLA-B, the as-prepared CZLA-C demonstrates an improved three-way catalytic activity both before and after aging treatment.

Keywords: composite oxides, reactor, catalysis, catalytic performance

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Authors: Hee Soo Kim, Ha Young Kyung

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Happiness and pleasure are a result of dopamine, oxytocin, serotonin, and endorphin levels in the body. In order to increase the four neurochemical levels, it is important to associate daily activities with its corresponding neurochemical releases. This includes setting goals, maintaining social relationships, laughing frequently, and exercising regularly. The likelihood of experiencing happiness increases when all four neurochemicals are released at the optimal level. The achievement of happiness is important because it increases healthiness, productivity, and the ability to overcome adversity. To process emotions, electrical brain waves, brain structure, and neurochemicals must be analyzed. This research uses Chemcraft and Avogadro to determine the theoretical and chemical properties of the four neurochemical molecules. Each neurochemical molecule’s thermodynamic stability is calculated to observe the efficiency of the molecules. The study found that among dopamine, oxytocin, serotonin, alpha-, beta-, and gamma-endorphin, beta-endorphin has the lowest optimized energy of 388.510 kJ/mol. Beta-endorphin, a neurotransmitter involved in mitigating pain and stress, is the most thermodynamically stable and efficient molecule that is involved in the process of happiness. Through examining such properties of happiness neurotransmitters, the science of happiness is better understood.

Keywords: happiness, neurotransmitters, positive psychology, dopamine, oxytocin, serotonin, endorphins

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Authors: Daniel Nieto, Ramiro Couceiro

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Microfluidic chips have demonstrated their significant application potentials in microbiological processing and chemical reactions, with the goal of developing monolithic and compact chip-sized multifunctional systems. Heat generation and thermal control are critical in some of the biochemical processes. The paper presents a laser direct-write technique for rapid prototyping and manufacturing of microheater chips and its applicability for perfusion cell culture outside a cell incubator. The aim of the microheater is to take the role of conventional incubators for cell culture for facilitating microscopic observation or other online monitoring activities during cell culture and provides portability of cell culture operation. Microheaters (5 mm × 5 mm) have been successfully fabricated on soda-lime glass substrates covered with aluminum layer of thickness 120 nm. Experimental results show that the microheaters exhibit good performance in temperature rise and decay characteristics, with localized heating at targeted spatial domains. These microheaters were suitable for a maximum long-term operation temperature of 120ºC and validated for long-time operation at 37ºC. for 24 hours. Results demonstrated that the physiology of the cultured SW480 adenocarcinoma of the colon cell line on the developed microheater chip was consistent with that of an incubator.

Keywords: laser microfabrication, microheater, bioengineering, cell culture

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Authors: Ikram Mohamed Eltayeb Elsiddig, Abdel Khalig Muddather, Hiba Abdel Rahman Ali, Saad Mohamed Hussein Ayoub

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Anogeissusleiocarpus (Combretaceae) is well known for its medicinal uses in African traditional medicine, for treating many human diseases mainly skin diseases and infections.Mycetoma disease is a fungal and/ or bacterial skin infection, mainly cause by Madurella mycetomatis fungus.This study was carried out in vitro to investigate the antifungal activity of Anogeissusleiocarpus leaf extracts against the isolated pathogenicMadurellamycetomatis, by using the NCCLS modified method compared to Ketoconazole standard drug and MTT assay. The bioactive fraction was subjected to chemical analysis implementing different chromatographic analytical methods (TLC, HPLC, and LC-MS/MS). The results showed significance antifungal activity of A. leiocarpus leaf extractsagainst the isolated pathogenicM. mycetomatis, compared to negative and positive controls. The chloroform fraction showed the highest antifungal activity.The chromatographic analysis of the chloroform fraction with the highest activity showed the presence of important bioactive compounds such as ellagic and flavellagic acids derivatives, flavonoids and stilbenoid, which are well known for their antifungal activity.

Keywords: Anogeissus leiocarpus, crude extracts and fractions of Anogeissus leiocarpus, in vitrosusceptibility of Madurella mycetomatis, Madurella mycetomatis

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Authors: Ahmad Shanei, Mohammad Mahdi Shanei

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When a liquid is irradiated with high intensities (> 1 W) and low frequencies (≤ 1 MHz) ultrasound, acoustic cavitation occurs. Acoustic cavitation generates free radicals from the breakdown of water and other molecules. The existence of particles in liquid provide nucleation sites for cavitation bubbles and lead to decrease the ultrasonic intensity threshold needed for cavitation onset. The study was designed to measure hydroxyl radicals in terephthalic acid solutions containing 30 nm gold nanoparticles in a near field of a 1 MHz sonotherapy probe. The effect of ultrasound irradiation parameters containing mode of sonication and ultrasound intensity in hydroxyl radicals production have been investigated by the spectrofluorometry method. Recorded fluorescence signal in terephthalic acid solution containing gold nanoparticles was higher than the terephthalic acid solution without gold nanoparticles. Also, the results showed that any increase in intensity of the sonication would be associated with an increase in the fluorescence intensity. Acoustic cavitation in the presence of gold nanoparticles has been introduced as a way for improving therapeutic effects on the tumors. Also, the terephthalic acid dosimetry is suitable for detecting and quantifying free hydroxyl radicals as a criterion of cavitation production over a range of condition in medical ultrasound fields.

Keywords: acoustic cavitation, gold nanoparticle, chemical dosimetry, terephthalic acid

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Authors: Rabah Laouar, Yahia Boudra, Adel Satouh, Adrian Boyce

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The ultramafic rocks of the Collo region crop out as « stratified » masses that cross-cut older metamorphic formation of the basement. These rocks are mainly peridotites and serpentinites. The peridotites are composed of olivine, orthopyroxene, clinopyroxene and spinel (chromite). The chemical composition of these lherzolites show a magnesian character with high MgO contents (34.4 to 37.5%), high Cr (0.14 to 0.27%), Ni (0.14 to 0.26%) and Co (34 to 133 ppm) and low CaO and Al₂O₃ (0.02 to 2.2 and 0.5 to 2.8 % respectively). They represent a residue (restite) of a mantle magmas partial melting. The chromite which represents about 2 to 3% of the rock is a ubiquitous mineral and shows two different generations: primary idiomorphic millimetric crystals and secondary very fine, xenomorphic and interstitial aggregates. The primary chromites are alumino-ferro-magnesian crystals. They show high Al₂O₃ (25.77% to 27.36%) and MgO (10.70% to 13.36%). Cr# (100*Cr/ (Al+Cr)) varies between 45 and 48, and Mg# (100*Mg/Mg+Fe₂+) varies between 49 and 59. On the other hand, the secondary interstitial grains are iron-rich chromites; they show low Al₂O₃ (4.67% to 9.54%) and MgO (4.60% to 4.65%). Cr# is relatively high (77 to 88) whereas Mg# show relatively low values, varying between 22 and 25. Oxygen isotopic composition of both types of chromites is consistent with their derivation from a mantle source (ð¹⁸O vary between +3.9 and +5.2‰), though a contribution of ¹⁶O-rich component to the secondary chromites is not ruled out.

Keywords: peridotites, serpentinites, chromite, partial melting, collo, Algeria

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Authors: Chajira Garrote, Laura Arango, Lourdes Merino

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This research explains how to obtain nutritious powder from a variety of ripe mango peels Hilacha (Mangifera indica L.) to use it as a food additive. Also, this study intends to use efficiently the by-products resulting from the operations of mango pulp manufacturing process by processing companies with the aim of giving them an added value. The physical and chemical characteristics of the mango peels and the benefits that may help humans, were studied. Unit operations are explained for the processing of mango peels and the production of nutritive powder as a food additive. Emphasis is placed on the preliminary operations applied to the raw material and on the drying method, which is very important in this project to obtain the suitable characteristics of the nutritive powder. Once the powder was obtained, it was subjected to laboratory tests to determine its functional properties: water retention capacity (WRC) and oil retention capacity (ORC), also a sensory analysis for the powder was performed to determine the product profile. The nutritive powder from the ripe mango peels reported excellent WRC and ORC values: 7.236 g of water / g B.S. and 1.796 g water / g B.S. respectively and the sensory analysis defined a complete profile of color, odor and texture of the nutritive powder, which is suitable to use it in the food industry.

Keywords: mango, peel, powder, nutritive, functional properties, sensory analysis

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Authors: Manjusha C. Padole, Parag A. Deshpande

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Density functional theory calculations were carried out for identification of an active heterogeneous catalyst to carry out Heck coupling reaction which is of pharmaceutical importance. One of the carbonaceous nanomaterials, heterofullerene, was designed for the reaction. Stability and reactivity of the proposed heterofullerenes (C59M, M = Pd/Ni) were established with insights into the metal-carbon bond, electron affinity and chemical potential. Adsorbent potentials of both the heterofullerenes were examined from the adsorption study of four halobenzenes (C6H5F, C6H5Cl, C6H5Br and C6H5I). Oxidative addition activities of all four halobenzenes were investigated by developing free energy landscapes over both the heterofullerenes for rate determining step (oxidative addition). C6H5I showed a good catalytic activity for the rate determining step. Thus, C6H5I was proposed as a suitable halobenzene and complete free energy landscapes for Heck coupling reaction were developed over C59Pd and C59Ni. Smaller activation barriers observed over C59Pd in comparison with C59Ni put us in a position to propose C59Pd to be an efficient heterofullerene for carrying Heck coupling reaction.

Keywords: metal-substituted fullerene, density functional theory, electron affinity, oxidative addition, Heck coupling reaction

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Authors: Mohamed Amine Helali, Walid Oueslati, Ayed Added

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Sedimentation rates and total fluxes of heavy metals (Fe, Mn, Pb, Zn and Cu) was measured in three different depths (10m, 20m and 40m) during March and August 2012, offshore of the Mejerda River outlet (Gulf of Tunis, Tunisia). The sedimentation rates are estimated from the fluxes of the suspended particulate matter at 7.32, 5.45 and 4.39 mm y⁻¹ respectively at 10m, 20m and 40m depth. Heavy metals sequestration in sediments was determined by chemical speciation and the total metal contents in each core collected from 10, 20 and 40m depth. Heavy metals intake to the sediment was measured also from the suspended particulate matter, while the fluxes from the sediment to the water column was determined using the benthic chambers technique and from the diffusive fluxes in the pore water. Results shown that iron is the only metal for which the balance transfer between intake/uptake (45 to 117 / 1.8 to 5.8 g m² y⁻¹) and sequestration (277 to 378 g m² y⁻¹) was negative, at the opposite of the Lead which intake fluxes (360 to 480 mg m² y⁻¹) are more than sequestration fluxes (50 to 92 mg m² y⁻¹). The balance transfer is neutral for Mn, Zn, and Cu. These clearly indicate that the contributions of Mejerda have consistently varied over time, probably due to the migration of the River mouth and to the changes in the mining activity in the Mejerda catchment and the recent human activities which affect the delta area.

Keywords: delta, fluxes, heavy metals, sediments, sedimentation rates

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Authors: Babak Sadeghi, Parisa Ghayomipour

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ZnO/Ag nanocomposites coated with polyvinyl chloride (PVC) were prepared by chemical reduction method, for anti-infection biomaterial application. There is a growing interest in attempts in using biomolecular as the templates to grow inorganic nanocomposites in controlled morphology and structure. By optimizing the experiment conditions, we successfully fabricated high yield of ZnO/Ag nanocomposite with full coverage of high-density polyvinyl chloride (PVC) coating. More importantly, ZnO/Ag nanocomposites were shown to significantly inhibit the growth of S. aureus in solution. It was further shown that ZnO/Ag nanocomposites induced thiol depletion that caused death of S. aureus. The coatings were fully characterized using techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD). Most importantly, compared to uncoated metals, the coatings on PVC promoted healthy antibacterial activity. Importantly, compared to ZnO-Ag -uncoated PVC, the ZnO/Ag nanocomposites coated was approximately triplet more effective in preventing bacteria attachment. The result of Thermal Gravimetric Analysis (TGA) indicates that, the ZnO/Ag nanocomposites are chemically stable in the temperature range from 50 to 900 ºC. This result, for the first time, demonstrates the potential of using ZnO/Ag nanocomposites as a coating material for numerous anti-bacterial applications.

Keywords: nanocomposites, antibacterial activity, scanning electron microscopy (SEM), x-ray diffraction (XRD)

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Authors: Han-Seul Lee, Min-Koo Kang, Sang-Ill Lee

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This study was conducted to reduce runoff by rainwater infiltration facility using attached growth with Bacillus sp., which are reported to remove nitrogen and phosphorus, as well as organic matter effectively. This study was investigated non-point pollutants removal efficiency of organic, nitrogen, and phosphorus in column using the media attached growth with Bacillus sp. To compare attached growth with bacillus sp. and detached media, two columns filled with perlite, zeolite, vermiculite, pumice, peat-moss was installed. In A column (attached growth with bacillus sp.), in case of infiltration velocity 30 mm/hr in high concentration of influent, it showed the removal efficiency (after aging term) is SS (suspended solid) 85.8±1.2 %, T-P (total phosphorus) 67.0±8.1 %, T-N (total nitrogen) 66.0±4.9 %, COD (chemical oxygen demand) 73.6±2.9 %, NH4+-N 72.7±3.0 %. In B column (detached media), in case of infiltration velocity 30 mm/hr in high concentration of influent, it showed the removal efficiency (after aging term) is SS 86.0±2.2 %, T-P 62.5±11.3 %, T-N 53.3±3.9 %, COD 34.6±3.7 %, NH4+-N 61.5±2.8 %. Removal efficiency of A column is better than B column. As the result from this study, using media with Bacillus sp. can improve an effective removal of non-point source pollutants.

Keywords: non-point source pollutants, Bacillus sp., rainwater, infiltration facility

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Authors: Xuguo Zhang, Jimmy Fung, Kenneth Leung, Alexis Lau

Abstract:

Fine particulate matter concentrations have been decreasing in the past few years while the ozone concentrations are posing an increasing trend in the Greater Bay Area (GBA) of China. A series of control policies have been released to mitigate the country-wide air pollution, however, how to effectively evaluate the exercised control measures and efficiently reveal potential projected mitigation pathways are still limited. By refining an enhanced air-quality-modeling system, this study provides an account of the air quality assessments from 2019 to 2025 to appraise the air quality results and improvement under designed scenarios for assessing the optimum scope for tightening the Air Quality Objectives (AQOs). The results show that it is doable to tighten the 24-hour AQO for SO2 from the World Health Objective air quality guidelines Interim Targets Level-1 (IT-1) (125μg/m3) to IT-2 level (50μg/m3) with the current number of exceedance allowed (three) remains unchanged. It is also possible to tighten the annual AQO for PM2.5 from IT-1 (35 μg/m3) to IT 2 (25 μg/m3), and its 24-hr AQO from IT-1 (75 μg/m3) to IT 2 (50 μg/m3) with the number of exceedances allowed increased from current nine to 35. Regional cooperation under the development of the GBA cooperation are still needed to be focused and strengthen due to the cross-boundary transport characteristics of the air pollution.

Keywords: air quality attainment, Hong Kong, mitigation policy, chemical transport modeling, sensitivity analysis

Procedia PDF Downloads 83

Authors: Shank Kulkarni, Alireza Tabarraei

Abstract:

The fantastic properties of polyurea such as flexibility, durability, and chemical resistance have brought it a wide range of application in various industries. Effective prediction of the response of polyurea under different loading and environmental conditions necessitates the development of an accurate constitutive model. Similar to most polymers, the behavior of polyurea depends on both strain and strain rate. Therefore, the constitutive model should be able to capture both these effects on the response of polyurea. To achieve this objective, in this paper, a nonlinear hyper-viscoelastic constitutive model is developed by the superposition of a hyperelastic and a viscoelastic model. The proposed constitutive model can capture the behavior of polyurea under compressive loading conditions at various strain rates. Four parameter Ogden model and Mooney Rivlin model are used to modeling the hyperelastic behavior of polyurea. The viscoelastic behavior is modeled using both a three-parameter standard linear solid (SLS) model and a K-BKZ model. Comparison of the modeling results with experiments shows that Odgen and SLS model can more accurately predict the behavior of polyurea. The material parameters of the model are found by curve fitting of the proposed model to the uniaxial compression test data. The proposed model can closely reproduce the stress-strain behavior of polyurea for strain rates up to 6500 /s.

Keywords: constitutive modelling, ogden model, polyurea, SLS model, uniaxial compression test

Procedia PDF Downloads 243

Authors: Špela Hajduk, Sean P. Berglund, Matejka Podlogar, Goran Dražić, Fatwa F. Abdi, Zorica C. Orel, Menny Shalom

Abstract:

Graphitic carbon nitride materials (g-CN) have emerged as an attractive photocatalyst and electrocatalyst for photo and electrochemical water splitting reaction, due to their environmental benignity nature and suitable band gap. Many approaches were introduced to enhance the photoactivity and electronic properties of g-CN and resulted in significant changes in the electronic and catalytic properties. Here we demonstrate the synthesis of thin and homogenous g-CN layer on highly ordered ZnO nanowire (NW) substrate by growing a seeding layer of small supramolecular assemblies on the nanowires. The new synthetic approach leads to the formation of thin g-CN layer (~3 nm) without blocking all structure. Two different deposition methods of carbon nitride were investigated and will be presented. The amount of loaded carbon nitride significantly influences the PEC activity of hybrid material and all the ZnO/g-CNx electrodes show great improvement in photoactivity. The chemical structure, morphology and optical properties of the deposited g-CN were fully characterized by various techniques as X-ray powder spectroscopy (XRD), scanning electron microscopy (SEM), focused ion beam scanning electron microscopy (FIB-SEM), high-resolution scanning microscopy (HR-TEM) and X-ray photoelectron spectroscopy (XPS).

Keywords: carbon nitride, photoanode, solar water splitting, zinc oxide

Procedia PDF Downloads 195

Authors: Hamid Hatami

Abstract:

This experiment was included two cultivars i.e. Habbit and L17 (Main factor) with six fertilizer treatments i.e. control, seed inoculated with rhyzobium, base nitrogen + top-dress urea at R2 stage, base nitrogen + seed inoculated with rhyzobium + top-dress nitrogen at R2 stage, seed treated with humax + top-dress humax at R2 stage, base nitrogen + seed treated with humax + top-dress humax at R2 stage (sub factors ), as split-plot on the basis of RCBD with 3 replications at 2014. Treatment fertilizer of base nitrogen + seed treated with humax + top- dress humax at R2 stage and base nitrogen + top-dress urea in R2 stage had a significant superiority than the other fertilizer treatment in biological yield. L17 and Habbit with base nitrogen + seed treated with humax + top-dress humax in R2 stage and yield economical 5600 and 5767 kg/ha respectively, showed the most economical yield and Habbit cultivar with control and economical yield 3085 kg/ha showed the least economical yield among all the treatments. Results showed that fertilizer treatment of base nitrogen + seed treated with humax + top-dress humax in R2 stage and Habbit variety were suitable in this study.

Keywords: soybean, humax, rhyzobium, habbit

Procedia PDF Downloads 455

Authors: Cigdem Yangin-Gomec, Aigerim Jaxybayeva, Orhan Ince

Abstract:

In this study, the anaerobic treatability of chicken manure diluted with tap water (with an influent feed ratio of 1 kg of fresh chicken manure to 6 liter of tap water) was investigated in a lab-scale anaerobic sludge bed (ASB) reactor inoculated with the granular sludge already adapted to chicken manure. The raw waste digested in this study was the manure from laying-hens having average total solids (TS) of about 30% with ca. 60% volatile content. The ASB reactor was fed semi-continuously at ambient operating temperature range (17-23^◦C) at a HRT of 13 and 26 days for about 6 months, respectively. The respective average total and soluble chemical oxygen demand (COD) removals were ca. 90% and 75%, whereas average biomethane production rate was calculated ca. 180 lt per kg of COD_removed from the ASB reactor at an average HRT of 13 days. Moreover, total suspended solids (TSS) and volatile suspended solids (VSS) in the influent were reduced more than 97%. Hence, high removals of the organic compounds with respective biogas production made anaerobic stabilization of the diluted chicken manure by ASB reactor at ambient operating temperatures viable. By this way, external heating up to 35^◦C (i.e. anaerobic processes have been traditionally operated at mesophilic conditions) could be avoided in the scope of this study.

Keywords: ambient anaerobic digestion, biogas recovery, poultry manure, renewable energy

Procedia PDF Downloads 420

Authors: Sijo S. Thomas, S. Hridya, Manoj Mohan, Bibin Jacob, Hysen Thomas

Abstract:

Ferrites are iron based oxides with technologically significant magnetic properties and have widespread applications in medicine, technology, and industry. There has been a growing interest in the study of magnetic, electrical and structural properties of mixed ferrites. In the present work, structural and magnetic properties of Nickel and Calcium substituted Fe₃O₄ nanoparticles were investigated. NiₓCa₁₋ₓFe₂O₄ nanoparticles (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9) were synthesized by chemical co-precipitation method and the samples were subsequently sintered at 900°C. The magnetic and structural properties of NiₓCa₁₋ₓFe₂O₄ were investigated using Vibrating Sample Magnetometer and X-Ray diffraction. The XRD results revealed that the synthesized particles have nanometer size and it varies from 46-72 nm as the calcium concentration diminishes. The variation is explained based on the increase in the reaction rate with Ni concentration which favors the formation of ultrafine particles of mixed ferrites. VSM results show pure CaFe₂O₄ exhibit paramagnetic behavior with low saturation value. As the concentration of Ca decreases, a transition occurs from paramagnetic state to ferromagnetic state. When the concentration of Ni becomes dominant, magnetic saturation, coercivity, and retentivity become high, indicating near ferromagnetic behavior of the compound.

Keywords: co-precipitation, ferrites, magnetic behavior, structure

Procedia PDF Downloads 249