Search results for: berberine chloride
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 608

Search results for: berberine chloride

188 Benzene Sulfonamide Derivatives: Synthesis, Absorption, Distribution, Metabolism, and Excretion (ADME) Studies, Anti-proliferative Activity, and Docking Simulation with Theoretical Investigation

Authors: Asmaa M. Fahim

Abstract:

In this elucidation, we synthesized different heterocyclic compounds attached to Benzene sulfonamide moiety via (E)-N-(4-(3-(4-bromophenyl)acryloyl)phenyl)-4-methyl benzene sulfonamide which is obtained from Nucleophilic substitution reaction between 4-methylbenzene sulfonyl chloride and 1-(4-aminophenyl)ethan-1-one in pyridine to get N-(4-acetyl phenyl)-4-methyl benzenesulfonamide which reacted 4-bromobenzal dehyde undergoes aldol condensation in NaOH to afford the corresponding chalchone 4. Moreover, the reactivity of chalchone 4 showed several active methylene derivatives utilized the pressurized microwave irradiation as a green energy resource. Chalcone 4 was allowed to react with ethyl cyanoacetate and acetylacetone, respectively, at 70 °C with pressure under microwave reaction condition to afford the 5-cyano-6-oxo-1,2,5,6-tetrahydropyridin-2-yl)-4-methylbenzenesulfonamide 6 and N-(4'-acetyl-4''-bromo-5'-oxo-2',3',4',5'-tetrahydro-[1,1':3',1''-terphenyl]-4-yl)-4-methylbenzenesulfonamide 8 derivatives. Moreover, the reactivity of this sulphonamide chalchone with NH2NH2 in EtOH and acetic acid, which gave 2,5-dihydro-1H-imidazol-4-yl)-4-methyl benzenesulfonamide, 1H-pyrazol-3-yl)-4-methyl and reactivity with NH2OH.HCl gave isoxazol-3-yl)-4-methylbenzenesulfonamide derivatives. The synthesized compounds were screened for their ADME properties and directed to antitumor activity on HepG2 hepatocellular carcinoma and MCF-7 breast cancer and exhibited excellent behavior against standard drugs; these results were confirmed through molecular simulations with different proteins. Additionally, the Density Functional Theory analysis of optimized structures investigated their physical descriptors, FMO, ESP and MEP, which correlated with biological evaluation.

Keywords: synthesis, green chemistry, antitumor activity, DFT study

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187 Electrochemical Recovery of Lithium from Geothermal Brines

Authors: Sanaz Mosadeghsedghi, Mathew Hudder, Mohammad Ali Baghbanzadeh, Charbel Atallah, Seyedeh Laleh Dashtban Kenari, Konstantin Volchek

Abstract:

Lithium has recently been extensively used in lithium-ion batteries (LIBs) for electric vehicles and portable electronic devices. The conventional evaporative approach to recover and concentrate lithium is extremely slow and may take 10-24 months to concentrate lithium from dilute sources, such as geothermal brines. To response to the increasing industrial lithium demand, alternative extraction and concentration technologies should be developed to recover lithium from brines with low concentrations. In this study, a combination of electrocoagulation (EC) and electrodialysis (ED) was evaluated for the recovery of lithium from geothermal brines. The brine samples in this study, collected in Western Canada, had lithium concentrations of 50-75 mg/L on a background of much higher (over 10,000 times) concentrations of sodium. This very high sodium-to-lithium ratio poses challenges to the conventional direct-lithium extraction processes which employ lithium-selective adsorbents. EC was used to co-precipitate lithium using a sacrificial aluminium electrode. The precipitate was then dissolved, and the leachate was treated using ED to separate and concentrate lithium from other ions. The focus of this paper is on the study of ED, including a two-step ED process that included a mono-valent selective stage to separate lithium from multi-valent cations followed by a bipolar ED stage to convert lithium chloride (LiCl) to LiOH product. Eventually, the ED cell was reconfigured using mono-valent cation exchange with the bipolar membranes to combine the two ED steps in one. Using this process at optimum conditions, over 95% of the co-existing cations were removed and the purity of lithium increased to over 90% in the final product.

Keywords: electrochemical separation, electrocoagulation, electrodialysis, lithium extraction

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186 Preparation and Characterization of Transparent and Conductive SnO2 Thin Films by Spray Pyrolysis

Authors: V. Jelev, P. Petkov, P. Shindov

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Thin films of undoped and As-doped tin oxide (As:SnO2) were obtained on silicon and glass substrates at 450°- 480°C by spray pyrolysis technique. Tin chloride (SnCl4.5H2O) and As oxide (3As2O5.5H2O) were used as a source for Sn and As respectively. The As2O5 concentration was varied from 0 to 10 mol% in the starting water-alcoholic solution. The characterization of the films was provided with XRD, CEM, AFM and UV-VIS spectroscopy. The influence of the synthesis parameters (the temperature of the substrate, solution concentration, gas and solution flow rates, deposition time, nozzle-to substrate distance) on the optical, electrical and structural properties of the films was investigated. The substrate temperature influences on the surface topography, structure and resistivity of the films. Films grown at low temperatures (<300°C) are amorphous whereas this deposited at higher temperatures have certain degree of polycrystallinity. Thin oxide films deposited at 450°C are generally polycrystalline with tetragonal rutile structure. The resistivity decreases with dopant concentration. The minimum resistivity was achieved at dopant concentration about 2.5 mol% As2O5 in the solution. The transmittance greater than 80% and resistivity smaller than 7.5.10-4Ω.cm were achieved in the films deposited at 480°C. The As doped films (SnO2: As) deposited on silicon substrates was used for preparation of a large area position sensitive photodetector (PSD), acting on the base of a lateral photovoltaic effect. The position characteristic of PSD is symmetric to the zero and linear in the 80% of the active area. The SnO2 films are extremely stable under typical environmental conditions and extremely resistant to chemical etching.

Keywords: metal oxide film, SnO2 film, position sensitive photodetectors (PSD), lateral photovoltaic effect

Procedia PDF Downloads 276
185 Low-Cost Reusable Thermal Energy Storage Particle for Concentrating Solar Power

Authors: Kyu Bum Han, Eunjin Jeon, Kimberly Watts, Brenda Payan Medina

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Gen3 Concentrating Solar Power (CSP) high-temperature thermal systems have the potential to lower the cost of a CSP system. When compared to the other systems (chloride salt blends and supercritical fluids), the particle transport system can avoid many of the issues associated with high fluid temperature systems at high temperature because of its ability to operate at ambient pressure with limited corrosion or thermal stability risk. Furthermore, identifying and demonstrating low-cost particles that have excellent optical properties and durability can significantly reduce the levelized cost of electricity (LCOE) of particle receivers. The currently available thermal transfer particle in the study and market is oxidized at about 700oC, which reduces its durability, generates particle loss by high friction loads, and causes the color change. To meet the CSP SunShot goal, the durability of particles must be improved by identifying particles that are less abrasive to other structural materials. Furthermore, the particles must be economically affordable and the solar absorptance of the particles must be increased while minimizing thermal emittance. We are studying a novel thermal transfer particle, which has low cost, high durability, and high solar absorptance at high temperatures. The particle minimizes thermal emittance and will be less abrasive to other structural materials. Additionally, the particle demonstrates reusability, which significantly lowers the LCOE. This study will contribute to two principal disciplines of energy science: materials synthesis and manufacturing. Developing this particle for thermal transfer will have a positive impact on the ceramic study and industry as well as the society.

Keywords: concentrating solar power, thermal energy storage, particle, reusability, economics

Procedia PDF Downloads 199
184 Functional Role of Tyr12 in the Catalytic Activity of Zeta-Like Glutathione S-Transferase from Acidovorax sp. KKS102

Authors: D. Shehu, Z. Alias

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Glutathione S-transferases (GSTs) are family of enzymes that function in the detoxification of variety of electrophilic substrates. In the present work, we report a novel zeta-like GST (designated as KKSG9) from the biphenyl/polychlorobiphenyl degrading organism Acidovorax sp. KKS102. KKSG9 possessed low sequence similarity but similar biochemical properties to zeta class GSTs. The gene for KKSG9 was cloned, purified and biochemically characterized. Functional analysis showed that the enzyme exhibits wider substrate specificity compared to most zeta class GSTs by reacting with 1-chloro-2,4-dinitrobenzene (CDNB), p-nitrobenzyl chloride (NBC), ethacrynic acid (EA), hydrogen peroxide, and cumene hydroperoxide (CuOOH). The enzyme also displayed dehalogenation function against dichloroacetate (a common substrate for zeta class GSTs) in addition to permethrin, and dieldrin. The functional role of Tyr12 was also investigated by site-directed mutagenesis. The mutant (Y12C) displayed low catalytic activity and dehalogenation function against all the substrates when compared with the wild type. Kinetic analysis using NBC and GSH as substrates showed that the mutant (Y12C) displayed a higher affinity for NBC when compared with the wild type, however, no significant change in GSH affinity was observed. These findings suggest that the presence of tyrosine residue in the motif might represent an evolutionary trend toward improving the catalytic activity of the enzyme. The enzyme as well could be useful in the bioremediation of various types of organochlorine pollutants.

Keywords: Acidovorax sp. KKS102, bioremediation, glutathione s-transferase, site-directed mutagenesis, zeta

Procedia PDF Downloads 134
183 Intelligent Control of Bioprocesses: A Software Application

Authors: Mihai Caramihai, Dan Vasilescu

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The main research objective of the experimental bioprocess analyzed in this paper was to obtain large biomass quantities. The bioprocess is performed in 100 L Bioengineering bioreactor with 42 L cultivation medium made of peptone, meat extract and sodium chloride. The reactor was equipped with pH, temperature, dissolved oxygen, and agitation controllers. The operating parameters were 37 oC, 1.2 atm, 250 rpm and air flow rate of 15 L/min. The main objective of this paper is to present a case study to demonstrate that intelligent control, describing the complexity of the biological process in a qualitative and subjective manner as perceived by human operator, is an efficient control strategy for this kind of bioprocesses. In order to simulate the bioprocess evolution, an intelligent control structure, based on fuzzy logic has been designed. The specific objective is to present a fuzzy control approach, based on human expert’ rules vs. a modeling approach of the cells growth based on bioprocess experimental data. The kinetic modeling may represent only a small number of bioprocesses for overall biosystem behavior while fuzzy control system (FCS) can manipulate incomplete and uncertain information about the process assuring high control performance and provides an alternative solution to non-linear control as it is closer to the real world. Due to the high degree of non-linearity and time variance of bioprocesses, the need of control mechanism arises. BIOSIM, an original developed software package, implements such a control structure. The simulation study has showed that the fuzzy technique is quite appropriate for this non-linear, time-varying system vs. the classical control method based on a priori model.

Keywords: intelligent, control, fuzzy model, bioprocess optimization

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182 Biochar - A Multi-Beneficial and Cost-Effective Amendment to Clay Soil for Stormwater Runoff Treatment

Authors: Mohammad Khalid, Mariya Munir, Jacelyn Rice Boyaue

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Highways are considered a major source of pollution to storm-water, and its runoff can introduce various contaminants, including nutrients, Indicator bacteria, heavy metals, chloride, and phosphorus compounds, which can have negative impacts on receiving waters. This study assessed the ability of biochar for contaminants removal and to improve the water holding capacity of soil biochar mixture. For this, ten commercially available biochar has been strategically selected. Lab scale batch testing was done at 3% and 6% by the weight of the soil to find the preliminary estimate of contaminants removal along with hydraulic conductivity and water retention capacity. Furthermore, from the above-conducted studies, six best performing candidate and an application rate of 6% has been selected for the column studies. Soil biochar mixture was filled in 7.62 cm assembled columns up to a fixed height of 76.2 cm based on hydraulic conductivity. A total of eight column experiments have been conducted for nutrient, heavy metal, and indicator bacteria analysis over a period of one year, which includes a drying as well as a deicing period. The saturated hydraulic conductivity was greatly improved, which is attributed to the high porosity of the biochar soil mixture. Initial data from the column testing shows that biochar may have the ability to significantly remove nutrients, indicator bacteria, and heavy metals. The overall study demonstrates that biochar could be efficiently applied with clay soil to improve the soil's hydraulic characteristics as well as remove the pollutants from the stormwater runoff.

Keywords: biochar, nutrients, indicator bacteria, storm-water treatment, sustainability

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181 Assessment of Water Quality Based on Physico-Chemical and Microbiological Parameters in Batllava Lake, Case Study Kosovo

Authors: Albana Kashtanjeva-Bytyçi, Idriz Vehapi, Rifat Morina, Osman Fetoshi

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The purpose of this study is to determine the water quality in Batllava Leka through which a part of the population of the Prishtina region is supplied with drinking water. Batllava Leka is a lake built in the 70s. This lake is located in the village of Btlava in the municipality of Podujeva, with coordinates 42 ° 49′33 ″ V 21 ° 18′25 ″ L, with an area of 3.07 km2. Water supply is from the river Brvenica- Batllavë. In order to take preventive measures and improve water quality, we have conducted periodic/monthly monitoring of water quality in Lake Batllava, through microbiological and physico-chemical indicators. The monitoring was carried out during the period December 2020 - December 2021. Samples were taken at three sampling sites: at the entrance of the lake, in the middle and at the overflow, on two levels, water surface and at a depth of 30 cm. The microbiological parameters analyzed are: total coliforms, fecal coliforms, fecal streptococci, aerobic mesophilic bacteria and actinomycetes. Within the physico-chemical parameters: Dissolved Oxygen, Saturation with O2, water temperature, pH value, electrical conductivity, total soluble matter, total suspended matter, turbidity, chemical oxygen demand, biochemical oxygen demand, total organic carbon, nitrate, total hardness, hardness of calcium, calcium, magnesium, ammonium ion, chloride, sulfates, flourine, M-alkalines, bicarbonates and heavy metals, such as: Fe, Pb, Mn, Cu, Cd. The results showed that most of the physico-chemical and microbiological parameters are within the limit allowed by the WHO, except in the case of the rainiest season that exceeded some parameters.

Keywords: batllava lake, monitoring of water, physico-chemical, microbiological, heavy metals

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180 Contamination of Groundwater by Nitrates, Nitrites, Ammonium and Phosphate in the Guelma-bouchegouf Irrigated Area (Northeastern Algeria)

Authors: Benhamza Moussa, Aissaoui Marwa, Touati Mounira, Chaoui Widad

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The Guelma-Bouchegouf irrigated area is located in the northeast of Algeria, and it extends about 80 km. It was commissioned in 1996, with an irrigable area of 9250 ha, it spreads on both banks of the Seybouse Wadi and it is subdivided into five autonomous distribution sectors. In order to assess the state of groundwater quality, the results of the chemical analyzes were plotted on the Piper diagram, which shows that the chemical facies are sulfate-calcium chloride and sulfate-calcium with a slight tendency to migrate to chlorinated sulphate - sodium. The predominance of sulphates in the waters of the region is geologically explained by the existence in the Guelma Basin of evaporitic deposits, which are mainly represented by rock salt and gypsum. In addition to this natural origin, we can mention the anthropogenic origin, following the use of chemical fertilizers in the Guelma-Bouchegouf irrigated area. Na⁺ and Mg²⁺ show moderate to significant mineralization of water, closely correlated with very high conductivities. The values of the recorded conductivities vary from 1360 μs / cm (P3) to 4610 μs / cm (P10). These important values are due to dissolved salts on the one hand and the leaching of fertilizers by irrigation water on the other hand. NO₃⁻ and NH₄⁺ show little to significant pollution throughout the study area. Phosphate represents significant pollution, with excessive values far exceeding the allowable standard. With respect to ammonium, 87% of the sampling points present little pollution and 13 % significant pollution. Regarding phosphates, in the form of PO₄³⁻, groundwater in the study area represents significant pollution; all values far exceed the allowable standard.

Keywords: groundwater, organic parameters, standards, Pollution

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179 Synthesis of Pendent Compartmental Ligand Derived from Polymethacrylate of 3-Formylsalicylic Acid Schiff Base and Its Application Studies

Authors: Dhivya Arumugam, Kaliyappan Thananjeyan

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The monomer of (3-((4-(methacryloyloxy)phenylimino)methyl)-2-hydroxybenzoic acid) schiff base polymer was prepared by reacting methacryloyl chloride with imine compound derived from 3-formylsalisylic acid and 4- aminophenol. The monomer was polymerized in DMF at 70oC using benzoyl peroxide as free radical initiator. Polymer metal complex was obtained in DMF solution of polymer with aqueous solution of metal ions. The polymer and the polymer metal complex were characterized by elemental analysis and spectral studies. The elemental analysis data suggest that the metal to ligand ratio is 1:1 and hence, it acts as a binucleating compartmental ligand. The IR spectral data of these complexes suggest that the metals are coordinated through nitrogen of the imine group, the oxygen of carboxylate ion and the oxygen of the phenolic –OH group which also acts as the bridging ligand. The electronic spectra and magnetic moments of the polychelates shows that octahedral and square planar structure for Ni(II) and Cu(II) complexes respectively. X-ray diffraction studies revealed that polychelates are highly crystalline. The thermal and electrical properties, catalytic activity, structure property relationships are discussed. Further the synthesized polymer was used for metal uptake studies from waste water, which is one of the effective waste water treatment strategies. And also, the polymers and polychelates were investigated for antimicrobial activity with various microorganisms by using agar well diffusion method and the results have been discussed.

Keywords: acyclic compartmental ligands, binucleating ligand, 3-formylsalicylic acid, free radical polymerization, polluting ions, polychelate

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178 Heat Transfer Analysis of a Multiphase Oxygen Reactor Heated by a Helical Tube in the Cu-Cl Cycle of a Hydrogen Production

Authors: Mohammed W. Abdulrahman

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In the thermochemical water splitting process by Cu-Cl cycle, oxygen gas is produced by an endothermic thermolysis process at a temperature of 530oC. Oxygen production reactor is a three-phase reactor involving cuprous chloride molten salt, copper oxychloride solid reactant and oxygen gas. To perform optimal performance, the oxygen reactor requires accurate control of heat transfer to the molten salt and decomposing solid particles within the thermolysis reactor. In this paper, the scale up analysis of the oxygen reactor that is heated by an internal helical tube is performed from the perspective of heat transfer. A heat balance of the oxygen reactor is investigated to analyze the size of the reactor that provides the required heat input for different rates of hydrogen production. It is found that the helical tube wall and the service side constitute the largest thermal resistances of the oxygen reactor system. In the analysis of this paper, the Cu-Cl cycle is assumed to be heated by two types of nuclear reactor, which are HTGR and CANDU SCWR. It is concluded that using CANDU SCWR requires more heat transfer rate by 3-4 times than that when using HTGR. The effect of the reactor aspect ratio is also studied and it is found that increasing the aspect ratio decreases the number of reactors and the rate of decrease in the number of reactors decreases by increasing the aspect ratio. Comparisons between the results of this study and pervious results of material balances in the oxygen reactor show that the size of the oxygen reactor is dominated by the heat balance rather than the material balance.

Keywords: heat transfer, Cu-Cl cycle, hydrogen production, oxygen, clean energy

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177 Assessment of Socio-Economic and Water Related Topics at Community Level in Yatta Town, Palestine

Authors: Nibal Al-Batsh, Issam A. Al-Khatib, Subha Ghannam

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Yatta is a town in the Governorate of Hebron, located 9 km south of Hebron City in the West Bank. The town houses over 100,000 people, 49% of which are females; a population that doubles every 15 years. Yatta has been connected to a water network since 1974 serving nearly 85% of the households. The water network is old and inadequate to meet the needs of the population. The water supply made available to the area is also very limited, estimated to be around 20 l/c/d. Residents are thus forced to rely on water vendors which supply water with a lower quality compared to municipal water while being 400% more expensive. As a cheaper and more reliable alternative, rainwater harvesting is a common practice in the area, with the majority of the households owning at least one cistern. Rainwater harvesting is of great socioeconomic importance in areas where water sources are scarce or polluted. In this research, the quality of harvested rainwater used for drinking and domestic purposes in the Yatta area was assessed throughout a year. A total of 100 samples, were collected from (cisterns) with an average capacity of 69 m3, which are adjacent to cement-roof catchment areas with an average area of 145 m2. Samples were analyzed for a number of parameters including: pH, alkalinity, hardness, turbidity, Total Dissolved Solids (TDS), NO3, NH4, chloride and salinity. Biological and microbiological contents such as Total Coliforms (TCC) and Fecal Coliforms (FC) bacteria were also tested. Results showed that most of the rainwater samples were within WHO and EPA guidelines set for chemical parameters. The research also addressed the impact of different socioeconomic attributes on rainwater harvesting through questionnaire that was pre-tested before the actual statically sample is collected.

Keywords: rainwater, harvesting, water quality, socio-economic aspects

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176 Application of Computational Chemistry for Searching Anticancer Derivatives of 2-Phenazinamines as Bcr-Abl Tyrosine Kinase Inhibitors

Authors: Gajanan M. Sonwane

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The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet-lab studies along with evaluation of their anticancer potential. Computational chemistry was done by using VLife MDS 4.3 and Autodock 4.2 followed by wet-lab experiments for synthesizing 2-phenazinamine derivatives. The chemical structures of ligands in 2D were drawn by employing Chemdraw 2D Ultra 8.0 and were converted into 3D. These were optimized by using a semi-empirical method called MOPAC. The protein structure was retrieved from RCSC protein data bank as a PDB file. The binding interactions of protein and ligands were done by using PYMOL. The molecular properties of the designed compounds were predicted in silico by using Osiris property explorer. The parent compound 2-phenazinamine was synthesized by reduction of 2, 4-dinitro-N-phenyl-benzenamine in the presence of tin chloride followed by cyclization in the presence of nitrobenzene and magnesium sulfate. The derivatization at the amino function of 2-phenazinamine was performed by treating parent compound with various aldehydes in the presence of dicyclohexylcarbodiimide (DCC) and urea to afford 2-(2-chlorophenyl)-3-(phenazine-2-yl) thiazolidine-4-one. Synthesized 39 novel derivatives of 2-phenazinamine and performed antioxidant activity, anti antiproliferative on the bulb of onion and anticancer activity on cell line showing significant competition with marked blockbuster drug imatinib.

Keywords: computer-aided drug design, tyrosin kinases, anticancer, docking

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175 Enhanced Production of Endo-β-1,4-Xylanase from a Newly Isolated Thermophile Geobacillus stearothermophilus KIBGE-IB29 for Prospective Industrial Applications

Authors: Zainab Bibi, Afsheen Aman, Shah Ali Ul Qader

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Endo-β-1,4-xylanases [EC 3.2.1.8] are one of the major groups of enzymes that are involved in degradation process of xylan and have several applications in food, textile and paper processing industries. Due to broad utility of endo-β-1,4-xylanase, researchers are focusing to increase the productivity of this hydrolase from various microbial species. Harsh industrial condition, faster reaction rate and efficient hydrolysis of xylan with low risk of contamination are critical requirements of industry that can be fulfilled by synthesizing the enzyme with efficient properties. In the current study, a newly isolated thermophile Geobacillus stearothermophilus KIBGE-IB29 was used in order to attain the maximum production of endo-1,4-β-xylanase. Bacterial culture was isolated from soil, collected around the blast furnace site of a steel processing mill, Karachi. Optimization of various nutritional and physical factors resulted the maximum synthesis of endo-1,4-β-xylanase from a thermophile. High production yield was achieved at 60°C and pH-6.0 after 24 hours of incubation period. Various nitrogen sources viz. peptone, yeast extract and meat extract improved the enzyme synthesis with 0.5%, 0.2% and 0.1% optimum concentrations. Dipotassium hydrogen phosphate (0.25%), potassium dihydrogen phosphate (0.05%), ammonium sulfate (0.05%) and calcium chloride (0.01%) were noticed as valuable salts to improve the production of enzyme. The thermophilic nature of isolate, with its broad pH stability profile and reduced fermentation time indicates its importance for effective xylan saccharification and for large scale production of endo-1,4-β-xylanase.

Keywords: geobacillus, optimization, production, xylanase

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174 Novel Bioinspired Design to Capture Smoky CO2 by Reactive Absorption with Aqueous Scrubber

Authors: J. E. O. Hernandez

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In the next 20 years, energy production by burning fuels will increase and so will the atmospheric concentration of CO2 and its well-known threats to life on Earth. The technologies available for capturing CO2 are still dubious and this keeps fostering an interest in bio-inspired approaches. The leading one is the application of carbonic anhydrase (CA) –a superfast biocatalyst able to convert up to one million molecules of CO2 into carbonates in water. However, natural CA underperforms when applied to real smoky CO2 in chimneys and, so far, the efforts to create superior CAs in the lab rely on screening methods running under pristine conditions at the micro level, which are far from resembling those in chimneys. For the evolution of man-made enzymes, selection rather than screening would be ideal but this is challenging because of the need for a suitable artificial environment that is also sustainable for our society. Herein we present the stepwise design and construction of a bioprocess (from bench-scale to semi-pilot) for evolutionary selection experiments. In this bioprocess, reaction and adsorption took place simultaneously at atmospheric pressure in a spray tower. The scrubbing solution was fed countercurrently by reusing municipal pressure and it was mainly prepared with water, carbonic anhydrase and calcium chloride. This bioprocess allowed for the enzymatic carbonation of smoky CO2; the reuse of process water and the recovery of solid carbonates without cooling of smoke, pretreatments, solvent amines and compression of CO2. The average yield of solid carbonates was 0.54 g min-1 or 12-fold the amount produced in serum bottles at lab bench scale. This bioprocess could be used as a tailor-made environment for driving the selection of superior CAs. The bioprocess and its match CA could be sustainably used to reduce global warming by CO2 emissions from exhausts.

Keywords: biological carbon capture and sequestration, carbonic anhydrase, directed evolution, global warming

Procedia PDF Downloads 172
173 Chitosan Stabilized Oil-in-Water Pickering Emulsion Optimized for Food-Grade Application

Authors: Ankit Patil, Tushar D. Deshpande, Yogesh M. Nimdeo

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Pickering emulsions (PE) were developed in response to increased demand for organic, eco-friendly, and biocompatible products. These emulsions are usually stabilized by solid particles. In this research, we created chitosan-based sunflower oil-in-water (O/W) PE without the need for a surfactant. In our work, we employed chitosan, a biopolymer derived from chitin, as a stabilizer. This decision was influenced by chitosan's biocompatibility and biodegradability, as well as its anti-inflammatory and antibacterial capabilities. It also has other functional properties, such as antioxidant activity, a probiotic delivery mechanism, and the ability to encapsulate bioactive compounds. The purpose of this study was to govern key parameters that can be changed to obtain stable PE, such as the concentration of chitosan (0.3-0.5 wt.%), the concentration of oil (0.8-1 vol%), the pH of the emulsion (3-7) manipulated by the addition of 1M HCl/ 4M NaOH, and the amount of electrolyte (NaCl-0-300mM) added to increase or decrease ionic strength. A careful combination of these properties resulted in the production of the most stable and optimal PE. Particle size study found that emulsions with pH 6, 0.4% chitosan, and 300 mM salts were exceptionally stable, with droplet size 886 nm, PI of 0.1702, and zeta potential of 32.753.83 mV. It is fair to infer that when ionic strength rises, particle size, zeta potential, and PI value decrease. A lower PI value suggests that emulsion nanoparticles are more homogeneous. The addition of sodium chloride increases the ionic strength of the emulsion, facilitating the formation of more compact and ordered particle layers. These findings provide light on the creation of stimulus-responsive chitosan-based PE capable of encapsulating bioactive materials, functioning as antioxidants, and serving as food-grade emulsifiers.

Keywords: pickering emulsion, biocompatibility, eco-friendly, chitosan

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172 Chemometric-Based Voltammetric Method for Analysis of Vitamins and Heavy Metals in Honey Samples

Authors: Marwa A. A. Ragab, Amira F. El-Yazbi, Amr El-Hawiet

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The analysis of heavy metals in honey samples is crucial. When found in honey, they denote environmental pollution. Some of these heavy metals as lead either present at low or high concentrations are considered to be toxic. Other heavy metals, for example, copper and zinc, if present at low concentrations, they considered safe even vital minerals. On the contrary, if they present at high concentrations, they are toxic. Their voltammetric determination in honey represents a challenge due to the presence of other electro-active components as vitamins, which may overlap with the peaks of the metal, hindering their accurate and precise determination. The simultaneous analysis of some vitamins: nicotinic acid (B3) and riboflavin (B2), and heavy metals: lead, cadmium, and zinc, in honey samples, was addressed. The analysis was done in 0.1 M Potassium Chloride (KCl) using a hanging mercury drop electrode (HMDE), followed by chemometric manipulation of the voltammetric data using the derivative method. Then the derivative data were convoluted using discrete Fourier functions. The proposed method allowed the simultaneous analysis of vitamins and metals though their varied responses and sensitivities. Although their peaks were overlapped, the proposed chemometric method allowed their accurate and precise analysis. After the chemometric treatment of the data, metals were successfully quantified at low levels in the presence of vitamins (1: 2000). The heavy metals limit of detection (LOD) values after the chemometric treatment of data decreased by more than 60% than those obtained from the direct voltammetric method. The method applicability was tested by analyzing the selected metals and vitamins in real honey samples obtained from different botanical origins.

Keywords: chemometrics, overlapped voltammetric peaks, derivative and convoluted derivative methods, metals and vitamins

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171 Thermal Performance of an Air-Water Heat Exchanger (AWHE) Operating in Groundwater and Hot-Humid Climate

Authors: César Ramírez-Dolores, Jorge Wong-Loya, Jorge Andaverde, Caleb Becerra

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Low-depth geothermal energy can take advantage of the use of the subsoil as an air conditioning technique, being used as a passive system or coupled to an active cooling and/or heating system. This source of air conditioning is possible because at a depth less than 10 meters, the subsoil temperature is practically homogeneous and tends to be constant regardless of the climatic conditions on the surface. The effect of temperature fluctuations on the soil surface decreases as depth increases due to the thermal inertia of the soil, causing temperature stability; this effect presents several advantages in the context of sustainable energy use. In the present work, the thermal behavior of a horizontal Air-Water Heat Exchanger (AWHE) is evaluated, and the thermal effectiveness and temperature of the air at the outlet of the prototype immersed in groundwater is experimentally determined. The thermohydraulic aspects of the heat exchanger were evaluated using the Number of Transfer Units-Efficiency (NTU-ε) method under conditions of groundwater flow in a coastal region of sandy soil (southeastern Mexico) and air flow induced by a blower, the system was constructed of polyvinyl chloride (PVC) and sensors were placed in both the exchanger and the water to record temperature changes. The results of this study indicate that when the exchanger operates in groundwater, it shows high thermal gains allowing better heat transfer, therefore, it significantly reduces the air temperature at the outlet of the system, which increases the thermal effectiveness of the system in values > 80%, this passive technique is relevant for building cooling applications and could represent a significant development in terms of thermal comfort for hot locations in emerging economy countries.

Keywords: convection, earth, geothermal energy, thermal comfort

Procedia PDF Downloads 46
170 Statistical Analysis and Optimization of a Process for CO2 Capture

Authors: Muftah H. El-Naas, Ameera F. Mohammad, Mabruk I. Suleiman, Mohamed Al Musharfy, Ali H. Al-Marzouqi

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CO2 capture and storage technologies play a significant role in contributing to the control of climate change through the reduction of carbon dioxide emissions into the atmosphere. The present study evaluates and optimizes CO2 capture through a process, where carbon dioxide is passed into pH adjusted high salinity water and reacted with sodium chloride to form a precipitate of sodium bicarbonate. This process is based on a modified Solvay process with higher CO2 capture efficiency, higher sodium removal, and higher pH level without the use of ammonia. The process was tested in a bubble column semi-batch reactor and was optimized using response surface methodology (RSM). CO2 capture efficiency and sodium removal were optimized in terms of major operating parameters based on four levels and variables in Central Composite Design (CCD). The operating parameters were gas flow rate (0.5–1.5 L/min), reactor temperature (10 to 50 oC), buffer concentration (0.2-2.6%) and water salinity (25-197 g NaCl/L). The experimental data were fitted to a second-order polynomial using multiple regression and analyzed using analysis of variance (ANOVA). The optimum values of the selected variables were obtained using response optimizer. The optimum conditions were tested experimentally using desalination reject brine with salinity ranging from 65,000 to 75,000 mg/L. The CO2 capture efficiency in 180 min was 99% and the maximum sodium removal was 35%. The experimental and predicted values were within 95% confidence interval, which demonstrates that the developed model can successfully predict the capture efficiency and sodium removal using the modified Solvay method.

Keywords: CO2 capture, water desalination, Response Surface Methodology, bubble column reactor

Procedia PDF Downloads 263
169 Simultaneous Determination of Bisphenol a, Phtalates and Its Metabolites in Human Urine, by Tandem SPE Coupled to GC-MS

Authors: L. Correia-Sá, S. Norberto, Conceição Calhau, C. Delerue-Matos, V. F. Domingues

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Endocrine disruptor chemicals (EDCs) are synthetic compounds that even though being initially designed for a specific function are now being linked with a wide range of side effects. The list of possible EDCs is growing and includes phthalates and bisphenol A (BPA). Phthalates are one of the most widely used plasticizers to improve the extensibility, elasticity and workability of polyvinyl chloride (PVC), polyvinyl acetates, etc. Considered non-toxic and harmless additives for polymers, they were used unrestrainedly all over the world for several decades. However, recent studies have indicated that some phthalates and their metabolic products are reproductive and developmental toxicants in animals and suspected endocrine disruptors in humans. BPA (2,2-bis(4-hydroxyphenyl)propane) is a high production volume chemical mainly used in the production of polycarbonate plastics and epoxy resins. Although BPA was initially considered to be a weak environmental estrogen, nowadays it is known that this compound can stimulate several cellular responses at very low levels of concentrations. The aim of this study was to develop a method based on tandem SPE to evaluate the presence of phthalates, metabolites and BPA in human urine samples. The analyzed compounds included: dibutyl phthalate (DBP) and di-2-ethylhexyl phthalate (DEHP), BPA, mono-isobutyl phthalate (MiBP), monobutyl phthalate (MBP) and. mono-(2-ethyl-5-oxohexyl) (MEOHP). Two SPE cartridges were applied both from Phenomenex, the strata X polymeric reversed phase and the strata X A (Strong anion). Chromatographic analyses were carried out in a Thermo GC ULTRA GC-MS/MS. Good recoveries and linear calibration curves were obtained. After validation, the methodology was applied to human urine samples for phthalates, metabolites and BPA evaluation.

Keywords: Bisphenol A (BPA), gas chromatography, metabolites, phtalates, SPE, tandem mode

Procedia PDF Downloads 270
168 Groundwater Treatment of Thailand's Mae Moh Lignite Mine

Authors: A. Laksanayothin, W. Ariyawong

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Mae Moh Lignite Mine is the largest open-pit mine in Thailand. The mine serves coal to the power plant about 16 million tons per year. This amount of coal can produce electricity accounting for about 10% of Nation’s electric power generation. The mining area of Mae Moh Mine is about 28 km2. At present, the deepest area of the pit is about 280 m from ground level (+40 m. MSL) and in the future the depth of the pit can reach 520 m from ground level (-200 m.MSL). As the size of the pit is quite large, the stability of the pit is seriously important. Furthermore, the preliminary drilling and extended drilling in year 1989-1996 had found high pressure aquifer under the pit. As a result, the pressure of the underground water has to be released in order to control mine pit stability. The study by the consulting experts later found that 3-5 million m3 per year of the underground water is needed to be de-watered for the safety of mining. However, the quality of this discharged water should meet the standard. Therefore, the ground water treatment facility has been implemented, aiming to reduce the amount of naturally contaminated Arsenic (As) in discharged water lower than the standard limit of 10 ppb. The treatment system consists of coagulation and filtration process. The main components include rapid mixing tanks, slow mixing tanks, sedimentation tank, thickener tank and sludge drying bed. The treatment process uses 40% FeCl3 as a coagulant. The FeCl3 will adsorb with As(V), forming floc particles and separating from the water as precipitate. After that, the sludge is dried in the sand bed and then be disposed in the secured land fill. Since 2011, the treatment plant of 12,000 m3/day has been efficiently operated. The average removal efficiency of the process is about 95%.

Keywords: arsenic, coagulant, ferric chloride, groundwater, lignite, coal mine

Procedia PDF Downloads 285
167 Effect of Flux Salts on the Recovery Extent and Quality of Metal Values from Spent Rechargeable Lead Batteries

Authors: Mahmoud A Rabah, Sabah M. Abelbasir

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Lead-calcium alloy containing up to 0.10% calcium was recovered from spent rechargeable sealed acid lead batteries. Two techniques were investigated to explore the effect of flux salts on the extent and quality of the recovered alloy, pyro-metallurgical and electrochemical methods. About 10 kg of the spent batteries were collected for testing. The sample was washed with hot water and dried. The plastic cases of the batteries were mechanically cut, and the contents were dismantled manually, the plastic containers were shredded for recycling. The electrode plates were freed from the loose powder and placed in SiC crucible and covered with alkali chloride salts. The loaded crucible was heated in an electronically controlled chamber furnace type Nabertherm C3 at temperatures up to 800 °C. The obtained metals were analyzed. The effect of temperature, rate of heating, atmospheric conditions, composition of the flux salts on the extent and quality of the recovered products were studied. Results revealed that the spent rechargeable batteries contain 6 blocks of 6 plates of Pb-Ca alloy each. Direct heating of these plates in a silicon carbide crucible under ambient conditions produces lead metal poor in calcium content ( < 0.07%) due to partial oxidation of the alloying calcium element. Rate of temperature increase has a considerable effect on the yield of the lead alloy extraction. Flux salts composition benefits the recovery process. Sodium salts are more powerful as compared to potassium salts. Lead calcium alloy meeting the standard specification was successfully recovered from the spent rechargeable acid lead batteries with a very competitive cost to the same alloy prepared from primary resources.

Keywords: rechargeable lead batteries, lead-calcium alloy, waste recovery, flux salts, thermal recovery

Procedia PDF Downloads 342
166 Impact of Biological Treatment Effluent on the Physico-Chemical Quality of a Receiving Stream in Ile-Ife, Southwest Nigeria

Authors: Asibor Godwin, Adeniyi Funsho

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This study was carried out to investigate the impact of biological treated effluent on the physico-chemical properties of receiving waterbodies and also to establish its suitability for other purposes. It focused on the changes of some physic-chemical variables as one move away from the point of discharge downstream of the waterbodies. Water samples were collected from 14 sampling stations made up of the untreated effluent, treated effluent and receiving streams (before and after treated effluent discharge) over a period of 6 months spanning the dry and rainy seasons. Analyses were carried out on the following: temperature, turbidity, pH, conductivity, major anions and cation, dissolved oxygen, percentage oxygen Saturation, biological oxygen demand (BOD), solids (total solids, suspended solids and dissolved solids), nitrates, phosphates, organic matter and flow discharge using standard analytical methods. The relationships between investigated sites with regards to their physico-chemical properties were analyzed using student-t statistics. Also changes in the treated effluent receiving streams after treated effluent outfall was discussed fully. The physico-chemical water quality of the receiving water bodies meets most of the general water requirements for both domestic and industrial uses. The untreated effluent quality was shown to be of biological origin based on the biological oxygen demand, chloride, dissolved oxygen, total solids, pH and organic matter. The treated effluent showed significant improvement over the raw untreated effluent based on most parameters assessed. There was a significant difference (p<0.05) between the physico-chemical quality of untreated effluent and the treated effluent for the most of the investigated physico-chemical quality. The difference between the discharged treated effluent and the unimpacted section of the receiving waterbodies was also significant (p<0.05) for the most of the physico-chemical parameters.

Keywords: eflluent, Opa River, physico-chemical, waterbody

Procedia PDF Downloads 240
165 One-Pot Synthesis of 5-Hydroxymethylfurfural from Hexose Sugar over Chromium Impregnated Zeolite Based Catalyst, Cr/H-ZSM-5

Authors: Samuel K. Degife, Kamal K. Pant, Sapna Jain

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The world´s population and industrialization of countries continued to grow in an alarming rate irrespective of the security for food, energy supply, and pure water availability. As a result, the global energy consumption is observed to increase significantly. Fossil energy resources that mainly comprised of crude oil, coal, and natural gas have been used by mankind as the main energy source for almost two centuries. However, sufficient evidences are revealing that the consumption of fossil resource as transportation fuel emits environmental pollutants such as CO2, NOx, and SOx. These resources are dwindling rapidly besides enormous amount of problems associated such as fluctuation of oil price and instability of oil-rich regions. Biomass is a promising renewable energy candidate to replace fossil-based transportation fuel and chemical production. The present study aims at valorization of hexose sugars (glucose and fructose) using zeolite based catalysts in imidazolium based ionic liquid (1-butyl-3-methylimidazolium chloride, [BMIM] Cl) reaction media. The catalytic effect chromium impregnated H-ZSM-5 (Cr/H-ZSM-5) was studied for dehydration of hexose sugars. The wet impregnation method was used to prepare Cr/H-ZSM-5 catalyst. The characterization of the prepared catalyst was performed using techniques such as Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction analysis (XRD), Temperature-programmed desorption of ammonia (NH3-TPD) and BET-surface area analysis. The dehydration product, 5-hydroxymethylfurfural (5-HMF), was analyzed using high-performance liquid chromatography (HPLC). Cr/H-ZSM-5 was effective in dehydrating fructose with 87% conversion and 55% yield 5-HMF at 180 oC for 30 min of reaction time compared with H-ZSM-5 catalyst which yielded only 31% of 5-HMF at identical reaction condition.

Keywords: chromium, hexose, ionic liquid, , zeolite

Procedia PDF Downloads 149
164 Dewatering of Brewery Sludge through the Use of Biopolymers

Authors: Audrey Smith, M. Saifur Rahaman

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The waste crisis has become a global issue, forcing many industries to reconsider their disposal methods and environmental practices. Sludge is a form of waste created in many fields, which include water and wastewater, pulp and paper, as well as from breweries. The composition of this sludge differs between sources and can, therefore, have varying disposal methods or future applications. When looking at the brewery industry, it produces a significant amount of sludge with a high water content. In order to avoid landfilling, this waste can further be processed into a valuable material. Specifically, the sludge must undergo dewatering, a process which typically involves the addition of coagulants like aluminum sulfate or ferric chloride. These chemicals, however, limit the potential uses of the sludge since it will contain traces of metals. In this case, the desired outcome of the brewery sludge would be to produce animal feed; however, these conventional coagulants would add a toxic component to the sludge. The use of biopolymers like chitosan, which act as a coagulant, can be used to dewater brewery sludge while allowing it to be safe for animal consumption. Chitosan is also a by-product created by the shellfish processing industry and therefore reduces the environmental imprint since it involves using the waste from one industry to treat the waste from another. In order to prove the effectiveness of this biopolymer, experiments using jar-tests will be utilised to determine the optimal dosages and conditions, while variances of contaminants like ammonium will also be observed. The efficiency of chitosan can also be compared to other polysaccharides to determine which is best suited for this waste. Overall a significant separation has been achieved between the solid and liquid content of the waste during the coagulation-flocculation process when applying chitosan. This biopolymer can, therefore, be used to dewater brewery sludge such that it can be repurposed as animal feed. The use of biopolymers can also be applied to treat sludge from other industries, which can reduce the amount of waste produced and allow for more diverse options for reuse.

Keywords: animal feed, biopolymer, brewery sludge, chitosan

Procedia PDF Downloads 128
163 Measurements of Scattering Cross Sections for 5.895 keV Photons in Various Polymers

Authors: H. Duggal, G. Singh, G. Singh, A. Bhalla, S. Kumar, J. S. Shahi, D. Mehta

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The total differential cross section for scattering of the 5.895 keV photons by various polymers has been measured at scattering angle of 135o. The experimental measurements were carried out using the energy dispersive setup involving annular source of the 55Fe radioisotope and a low energy germanium (LEGe) detector. The cross section values are measured for 20 polymer targets namely, Paraffin Wax, Polytetrafluoro ethylene (PTFE), Cellulose, Silicone oil, Polyvinyl alcohol (PVA), Polyvinyl purrolidone (PVP), Polymethyl methacrylate (PMMA), Kapton, Mylar, Chitosan, Polyvinyl chloride (PVC), Bakelite, Carbopol, Chlorobutyl rubber (CBR), Polyetylene glycol (PEG), Polysorbate-20, Nylon-6, Cetyl alcohol, Carboxyl methyl sodium cellulose and Sodium starch glucolate. The measurements were performed in vacuum so as to avoid scattering contribution due to air and strong absorption of low energy photons in the air column. In the present investigations, the geometrical factor and efficiency of the detector were determined by measuring the K x-rays emitted from the 22Ti and 23V targets excited by the Mn K x-rays in the same experimental set up. The measured scattering cross sections have been compared with the sum of theoretically calculated elastic and inelastic scattering cross sections. The theoretical elastic (Rayleigh) scattering cross sections based on the various form factor approximations, namely, non-relativistic form factor (NF), relativistic form factor (RF), modified form factor (MF), and MF with anomalous scattering factor (ASF) as well as the second order S-matrix formalisms, and the inelastic scattering differential cross sections based on the Klein-Nishina formula after including the inelastic scattering function (KN+ISF) have been calculated. The experimental results show fairly good agreement with theoretical cross sections.

Keywords: photon, polymers, elastic and inelastic, scattering cross sections

Procedia PDF Downloads 664
162 Extracting the Antioxidant Compounds of Medicinal Plant Limoniastrum guyonianum

Authors: Assia Belfar, Mohamed Hadjadj, Messaouda Dakmouche, Zineb Ghiaba, Mahdi Belguidoum

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Introduction: This study aims to phytochemical screening; Extracting the active compounds and estimate the effectiveness of antioxidant in Medicinal plants desert Limoniastrum guyonianum (Zeïta) from South Algeria. Methods: Total phenolic content and total flavonoid content using Folin-Ciocalteu and aluminum chloride colorimetric methods, respectively. The total antioxidant capacity was estimated by the following methods: DPPH (1.1-diphenyl-2-picrylhydrazyl radical) and reducing power assay. Results: Phytochemical screening of the plant part reveals the presence of phenols, saponins, flavonoids and tannins. While alkaloids and Terpenoids were absent. The Methanolic extract of L. guyonianum was extracted successively with ethyl acetate and butanol. Extraction of yield varied widely in the L. guyonianum ranging from (1.315 % to 4.218%). butanol fraction had the highest yield. The higher content of phenols was recorded in butanol fraction (311.81 ± 0.02mg GAE/g DW), the higher content of flavonoids was found in butanol fraction (9.58 ± 0.33mg QE/g DW). IC50 of inhibition of radical DPPH in ethyl acetate fraction was (0.05 ± 0.01µg/ml) Equal effectiveness with BHT, All extracts showed good activity of ferric reducing power, the higher power was in butanol fraction (16.16 ± 0.05mM). Conclusions: Demonstrated this study that the Methanolic extract of L. guyonianum contain a considerable quantity of phenolic compounds and possess a good antioxidant activity. It can be used as an easily accessible source of Natural Antioxidants and as a possible food supplement and in pharmaceutical industry.

Keywords: flavonoid compound, l. guyonianum, medicinal plants, phenolic compounds, phytochemical screening

Procedia PDF Downloads 279
161 Synthesis of Highly Sensitive Molecular Imprinted Sensor for Selective Determination of Doxycycline in Honey Samples

Authors: Nadia El Alami El Hassani, Soukaina Motia, Benachir Bouchikhi, Nezha El Bari

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Doxycycline (DXy) is a cycline antibiotic, most frequently prescribed to treat bacterial infections in veterinary medicine. However, its broad antimicrobial activity and low cost, lead to an intensive use, which can seriously affect human health. Therefore, its spread in the food products has to be monitored. The scope of this work was to synthetize a sensitive and very selective molecularly imprinted polymer (MIP) for DXy detection in honey samples. Firstly, the synthesis of this biosensor was performed by casting a layer of carboxylate polyvinyl chloride (PVC-COOH) on the working surface of a gold screen-printed electrode (Au-SPE) in order to bind covalently the analyte under mild conditions. Secondly, DXy as a template molecule was bounded to the activated carboxylic groups, and the formation of MIP was performed by a biocompatible polymer by the mean of polyacrylamide matrix. Then, DXy was detected by measurements of differential pulse voltammetry (DPV). A non-imprinted polymer (NIP) prepared in the same conditions and without the use of template molecule was also performed. We have noticed that the elaborated biosensor exhibits a high sensitivity and a linear behavior between the regenerated current and the logarithmic concentrations of DXy from 0.1 pg.mL−1 to 1000 pg.mL−1. This technic was successfully applied to determine DXy residues in honey samples with a limit of detection (LOD) of 0.1 pg.mL−1 and an excellent selectivity when compared to the results of oxytetracycline (OXy) as analogous interfering compound. The proposed method is cheap, sensitive, selective, simple, and is applied successfully to detect DXy in honey with the recoveries of 87% and 95%. Considering these advantages, this system provides a further perspective for food quality control in industrial fields.

Keywords: doxycycline, electrochemical sensor, food control, gold nanoparticles, honey, molecular imprinted polymer

Procedia PDF Downloads 290
160 Effect of Sodium Chloride Concentration and Degree of Neutralization on the Structure and Dynamics of Poly(Methacrylic Acid) (PMA) in Dilute Aqueous Solutions – a Molecular Dynamics Simulations Study

Authors: Abhishek Kumar Gupta

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Atomistic Molecular Dynamics (MD) Simulations have been performed to study the effect of monovalent salt i.e. NaCl concentration (Cs) and chain degree of neutralization (f) on the structure and dynamics of anionic poly(methacrylic acid) (PMA) in dilute aqueous solutions. In the present study, the attention is to unveil the conformational structure, hydrogen-bonding, local polyion-counterion structure, h-bond dynamics, chain dynamics and thermodynamic enthalpy of solvation of a-PMA in dilute aqueous solutions as a function of salt concentration, Cs and f. The results have revealed that at low salt concentration, the conformational radius of gyration (Rg) increases and then decreases reaching a maximum in agreement with the reported light scattering experimental results. The Rg at f = 1 shows a continual decrease and acquire a plateau value at higher salt concentration in agreement with results obtained by light scattering experiments. The radial distribution functions between PMA, salt and water atoms has been computed with respect to atom and centre-of-mass to understand the intermolecular structure in detail. The results pertaining to PMA chain conformations and hydrogen bond autocorrelation function showcasing the h-bond dynamics will be presented. The results pertaining to chain dynamics will be presented. The results pertaining to counterion condensation on the PMA chain shows greater condensation of Na+ ions on to the carboxylate ions with increase in salt concentration. Moreover, the solvation enthalpy of the system as a function of salt concentration will be presented.

Keywords: conformations, molecular dynamics simulations, NaCl concentration, radial distribution functions

Procedia PDF Downloads 86
159 A Multivariate Statistical Approach for Water Quality Assessment of River Hindon, India

Authors: Nida Rizvi, Deeksha Katyal, Varun Joshi

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River Hindon is an important river catering the demand of highly populated rural and industrial cluster of western Uttar Pradesh, India. Water quality of river Hindon is deteriorating at an alarming rate due to various industrial, municipal and agricultural activities. The present study aimed at identifying the pollution sources and quantifying the degree to which these sources are responsible for the deteriorating water quality of the river. Various water quality parameters, like pH, temperature, electrical conductivity, total dissolved solids, total hardness, calcium, chloride, nitrate, sulphate, biological oxygen demand, chemical oxygen demand and total alkalinity were assessed. Water quality data obtained from eight study sites for one year has been subjected to the two multivariate techniques, namely, principal component analysis and cluster analysis. Principal component analysis was applied with the aim to find out spatial variability and to identify the sources responsible for the water quality of the river. Three Varifactors were obtained after varimax rotation of initial principal components using principal component analysis. Cluster analysis was carried out to classify sampling stations of certain similarity, which grouped eight different sites into two clusters. The study reveals that the anthropogenic influence (municipal, industrial, waste water and agricultural runoff) was the major source of river water pollution. Thus, this study illustrates the utility of multivariate statistical techniques for analysis and elucidation of multifaceted data sets, recognition of pollution sources/factors and understanding temporal/spatial variations in water quality for effective river water quality management.

Keywords: cluster analysis, multivariate statistical techniques, river Hindon, water quality

Procedia PDF Downloads 436