Search results for: Methyl acetate

Authors: Dije Dehari, Ahmed Jashari, Shefket Dehari, Agim Shabani

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New complexes of nickel (II) have been synthesized in the reaction mixture of nickel (II) acetate and 4-hydroxy-2-oxo-2H-chromene-3-carboxamide. Bis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) and diaquabis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) were characterized by elemental analysis, IR spectroscopy and ESI mass spectrometry. Elemental analysis and mass spectrometry data of the complexes suggests the stoichiometry of 1:2 (metal-ligand).

Keywords: Nickel complexes, 4-hydroxy-2-oxo-2H-chromene-3-carboxamide, IR spectroscopy, mass spectrometry.

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Authors: Smita Jauhari, Bhupendra Mistry

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Schiff base (E)-2-methyl-N-(tetrazolo[1,5-a]quinolin-4-ylmethylene)aniline (QMA) was synthesized, and its inhibitive effect for mild steel in 1N HCl solution was investigated by weight loss measurement and electrochemical tests. From the weight loss measurements and electrochemical tests, it was observed that the inhibition efficiency increases with the increase in the Schiff base concentration and reaches a maximum at the optimum concentration. This is further confirmed by the decrease in corrosion rate. It is found that the system follows Langmuir adsorption isotherm.

Keywords: Schiff base, acid corrosion, electrochemical impedance spectroscopy, polarization.

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Authors: R. Eslami Farsani, S. Raissi, A. Shokuhfar, A. Sedghi

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In this investigation, types of commercial and special polyacrylonitrile (PAN) fibers contain sodium 2-methyl-2- acrylamidopropane sulfonate (SAMPS) and itaconic acid (IA) comonomers were studied by fourier transform infrared (FT-IR) spectroscopy. The study of FT-IR spectra of PAN fibers samples with different comonomers shows that during stabilization of PAN fibers, the peaks related to C≡N bonds and CH2 are reduced sharply. These reductions are related to cyclization of nitrile groups and stabilization procedure. This reduction in PAN fibers contain IA comonomer is very intense in comparison with PAN fibers contain SAMPS comonomer. This fact indicates the cycling and stabilization for sample contain IA comonomer have been conducted more completely. Therefore the carbon fibers produced from this material have higher tensile strength due to suitable stabilization.

Keywords: PAN Fibers, Stabilization, Carbon Fibers, FT-IR.

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Authors: Mingchuan Zhou, Haitao Zhang, Hongfang Ma, Weiyong Ying

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Alumina supported platinum and tin catalysts with different loadings of Pt and Sn were prepared and characterized by low temperature N₂ adsorption/desorption, H₂-temperature programed reduction and CO pulse chemisorption. Pt and Sn below 1% loading were suitable for acetic acid hydrogenation. The best performance over 0.75Pt1Sn/Al₂O₃ can reach 87.55% conversion of acetic acid and 47.39% selectivity of ethanol. The operating conditions of acetic acid hydrogenation over 1Pt1Sn/Al₂O₃ were investigated. High reaction temperature can enhance the conversion of acetic acid, but it decreased total selectivity of ethanol and acetyl acetate. High pressure and low weight hourly space velocity were beneficial to both conversion of acetic acid and selectivity to ethanol.

Keywords: Acetic acid, hydrogenation, PtSn, operating condition.

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Authors: Taiwo O. Margaret, Olaoluwa O. Olaoluwa

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Moraceae family has immense phytochemical constituents and significant pharmacological properties, hence have great medicinal values. The aim of this study was to screen and quantify phytochemicals as well as the antioxidant activities of the leaf and stem bark extracts and fractions (crude ethanol extracts, n-hexane, ethyl acetate and aqueous ethanol fractions) of Ficus sagittifolia. Leaf and stem bark of F. sagittifolia were extracted by maceration method using ethanol to give ethanol crude extract. The ethanol crude extract was partitioned by n-hexane and ethyl-acetate to give their respective fractions. All the extracts were screened for their phytochemicals using standard methods. The total phenolic, flavonoid, tannin, saponin contents and antioxidant activity were determined by spectrophotometric method while the alkaloid content was evaluated by titrimetric method. The amount of total phenolic in extracts and fractions were estimated in comparison to gallic acid, whereas total flavonoids, tannins and saponins were estimated corresponding to quercetin, tannic acid and saponin respectively. 2, 2-diphenylpicryl hydrazyl radical (DPPH)* and phosphomolybdate methods were used to evaluate the antioxidant activities of leaf and stem bark of F. sagittifolia. Phytochemical screening revealed the presence of flavonoids, saponins, terpenoids/steroids, alkaloids for both extracts of leaf and stem bark of F. sagittifolia. The phenolic content of F. sagittifolia was most abundant in leaf ethanol crude extract as 3.53 ± 0.03 mg/g equivalent of gallic acid. Total flavonoids and tannins content were highest in stem bark aqueous ethanol fraction of F. sagittifolia estimated as 3.41 ± 0.08 mg/g equivalent of quercetin and 1.52 ± 0.05 mg/g equivalent of tannic acid respectively. The hexane leaf fraction of F. sagittifolia had the utmost saponin and alkaloid content as 5.10 ± 0.48 mg/g equivalent of saponins and 0.171 ± 0.39 g of alkaloids. Leaf aqueous ethanol fraction of F. sagittifolia showed high antioxidant activity (IC₅₀ value of 63.092 µg/mL) and stem ethanol crude extract (227.43 ± 0.78 mg/g equivalent of ascorbic acid) for DPPH and phosphomolybdate method respectively and the least active was found to be the stem hexane fraction using both methods (313.32 µg/mL; 16.21 ± 1.30 mg/g equivalent of ascorbic acid). The presence of these phytochemicals in the leaf and stem bark of F. sagittifolia are responsible for their therapeutic importance as well as the ability to scavenge free radicals in living systems.

Keywords: Antioxidant activity, Ficus sagittifolia, Moraceae, phytochemicals.

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Authors: Mohammed Sadeque, K. A. Patil

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Polymer-modified bitumen is used to combat different pavement distresses and to increase the life span of pavement. Unmodified bitumen cannot perform better with the range extreme minimum and maximum pavement temperatures. The polymers commonly used to modify the bitumen are ethylene vinyl acetate (EVA) styrene butadiene styrene (SBS). The aim this study to compare the performance of EVA modified bitumen with the bitumen modified by waste low density polyethylene (LDPE), polypropylene (PP) obtained from waste carry bags and waste tyre rubber (CR) to encourage the use of waste polymer whose disposal is big problem today, in place of costly virgin polymer. From the experimental study, it was found that waste polymers are also effective in improving the properties bitumen as that of virgin polymer.

Keywords: Waste plastic, LDPE, PP, Modified bitumen, EVA.

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Authors: Jorge Ramírez-Ortiz, Jorge Medina-Valtierra, Merced Martínez Rosales

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Biodiesel production with used frying by transesterification reaction with methanol, using a commercial kaolinite thermally-activated solid acid catalyst was investigated. The surface area, the average pore diameter and pore volume of the kaolinite catalyst were 10 m2/g, 13.0 nm and 30 mm3/g, respectively. The optimal conditions for the transesterification reaction were determined to be oil/methanol, in a molar ratio 1:31, temperature 160 ºC and catalyst concentration of 3% (w/w). The yield of fatty acids methyl esters (FAME) was 92.4% after 2 h of reaction. This method of preparation of biodiesel can be a positive alternative for utilizing used frying corn oil for feedstock of biodiesel combined with the inexpensive catalyst.

Keywords: Biodiesel, frying corn oil, kaolinite, transesterification

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Authors: Htet Htike Htwe, Kay Thi Lwin

Abstract:

The principal objective of this study is to be able to extract niobium oxide from columbite-tantalite concentrate of Thayet Kon Area in Nay Phi Taw. It is recovered from columbite-tantalite concentrate which contains 19.29 % Nb2O5.The recovery of niobium oxide from columbite-tantalite concentrate can be divided into three main sections, namely, digestion of the concentrate, recovery from the leached solution and precipitation and calcinations. The concentrate was digested with hydrofluoric acid and sulfuric acid. Of the various parameters that effect acidity and time were studied. In the recovery section solvent extraction process using methyl isobutyl ketone was investigated. Ammonium hydroxide was used as a precipitating agent and the precipitate was later calcined. The percentage of niobium oxide is 74%.

Keywords: Calcination, Digestion, Precipitation, SolventExtraction.

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Authors: N. K. Fuloria, S. Fuloria

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Alpinia galanga is rhizome, generally known as Greater galangal and is selected for isolation of newer constituents accountable for various therapeutic activities. Present study is intended to isolate glycoside from Alpinia galanga rhizomes. Alpinia galanga methanolic extract was column chromatograph and eluted with ethyl acetate-methanol (99:1) to isolate compound β-Sitosterol Diarabinoside. Herein, the isolation and structural elucidation of new compound is described. Chemical investigation of methanolic extract of rhizomes of Alpinia galanga furnished a new compound β- Sitosterol Diarabinoside. The IR, NMR and MASS investigations of isolated compound confirmed its structure as β-Sitosterol Diarabinoside, which is isolated for the first time from a medicinal plant or any synthetic source.

Keywords: Alpinia galanga, methanolic extract, β-Sitosterol Diarabinoside.

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Authors: Nikol Žižková

Abstract:

The aim of this study was to observe the behavior of polymer-modified cement mortars with regard to the use of a pozzolanic admixture. Polymer-modified mortars (PMMs) containing various types of waste glass (waste packing glass and fluorescent tube glass) were produced always with 20% of cement substituted with a pozzolanic-active material. Ethylene/vinyl acetate copolymer (EVA) was used for polymeric modification. The findings confirm the possibility of using the waste glass examined herein as a partial substitute for cement in the production of PMM, which contributes to the preservation of non-renewable raw material resources and to the efficiency of waste glass material reuse.

Keywords: Recycled waste glass, polymer-modified mortars, pozzolanic admixture.

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Authors: Tanapoom Phuncharoen, Tawiwat Sriwongsa, Kanita Boonruang, Apichit Svang-ariyaskul

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The production of Dimethyl acetal, Isovaleradehyde and Pyridine were simulated using Aspen Plus simulation. Upgrading cleaning water from wine industrial production is the main objective of the project. The winery waste composes of Acetaldehyde, Methanol, Ethyl Acetate, 1-propanol, water, iso-amyl alcohol and iso-butyl alcohol. The project is separated into three parts; separation, reaction, and purification. Various processes were considered to maximize the profit along with obtaining high purity and recovery of each component with optimum heat duty. The results show a significant value of the product with purity more than 75% and recovery over 98%.

Keywords: Dimethyl acetal, Pyridine, wine, Aspen Plus, Isovaleradehyde, polymeric precursors.

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Authors: N. Hachemi, A. Nouani, A. Benchabane

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The influence of cultivation factors such as content of ammonium sulfate, glucose and water in the culture medium and particle size of dry orange waste, on their bioconversion for pectinase production was studied using complete factorial design. A polygalacturonase (PG) was isolated using ion exchange chromatography under gradient elution 0-0,5 m/l NaCl (column equilibrate with acetate buffer pH 4,5), subsequently by sephadex G75 column chromatography was applied and the molecular weight was obtained about 51,28 KDa. Purified PG enzyme exhibits a pH and temperature optima of activity at 5 and 35°C respectively. Treatment of apple juice by purified enzyme extract yielded a clear juice, which was competitive with juice yielded by pure Sigma Aldrich Aspergillus niger enzyme.

Keywords: Bioconversion, orange wastes, optimization, pectinase.

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Authors: A. Filimon, R. M. Albu, E. Avram

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The rheological response of blends obtained from quaternized polysulfone and polyvinyl alcohol in N-methyl-2- pyrrolidone as against structural peculiarity of polymers from the blend, composition of polymer mixtures, as well as the types of interactions were investigated. Results show that the variation of polyvinyl alcohol composition in the studied system determines changes of the rheological properties, suggesting that the PVA acts as a plasticizer. Consequently, rheological behavior of complex system, described by the nonlinear flow curve, indicates the impact of polyvinil alcohol content to polysulfone solution, in order to facilitate the subsequently preparation of bioactive membranes.

Keywords: Membranes for biomedical applications, quaternized polysulfone/polyvinyl alcohol composites, rheological properties.

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Authors: Fakhra Aziz, K. Sulaiman, Kh. S. Karimov, M. Hassan Sayyad

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This paper presents a spectroscopic study on doping of Vanadyl pathalocyanine (VOPc) by [6,6]-phenyl C61 butyric acid methyl ester (PCBM). The films are characterized by UV/Vis/NIR spectroscopy. A drastic increase in the absorption coefficient has been observed with increasing dopant concentration. Optical properties of VOPc:PCBM films deposited by spin coating technique were studied in detail. Optical band gap decreased with the PCBM incorporation in the VOPc film. Optical band gap calculated from the absorption spectra decreased from 3.32 eV to 3.26 eV with a variation of 0–75 % of PCBM concentration in the VOPC films.

Keywords: Optical properties, spin-coating, optical properties, optical energy gap

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Authors: Meisam Moghadasi, Hassan Ali Ozgoli, Foad Farhani

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In this research, firstly, a commercial gas sweetening unit with methyl-di-ethanol-amine (MDEA) solution is simulated and comprised in an integrated model in accordance with Aspen HYSYS software. For evaluation purposes, in the second step, the results of the simulation are compared with operating data gathered from South Pars Gas Complex (SPGC). According to the simulation results, the considerable energy potential contributed to the pressure difference between absorber and regenerator columns causes this energy driving force to be applied in power recovery turbine (PRT). In the last step, the amount of waste hydraulic energy is calculated, and its recovery methods are investigated.

Keywords: Gas sweetening unit, simulation, MDEA, power recovery turbine, waste-to-energy.

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Authors: M. Javadzadeh, H. Khoshsima

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In this article, we present a layout printing way for producing Fresnel zone on 1294-1b doped liquid crystal with Methyl-Red azo dye. We made a Fresnel zone mask with 25 zones and radius of 5 mm using lithography technique. With layout printing way, we recorded mask’s pattern on cell with λ=532 nm solid-state diode pump laser. By recording Fresnel zone pattern on cell and making Fresnel pattern on the surface of cell, odd and even zones, will form. The printed pattern, because of Azo dye’s photoisomerization, was permanent. Experimentally, we saw focal length tunability from 32 cm to 43 cm.

Keywords: Liquid crystal, lens, Fresnel zone, diffraction, Fresnel lens.

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Authors: Donepudi Jagadish, Ravi Kumar Puli, K. Madhu Murthy

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A zero dimensional model has been used to investigate the combustion performance of a single cylinder direct injection diesel engine fueled by biofuels with options like supercharging and exhaust gas recirculation. The numerical simulation was performed at constant speed. The indicated pressure, temperature diagrams are plotted and compared for different fuels. The emissions of soot and nitrous oxide are computed with phenomenological models. The experimental work was also carried out with biodiesel (palm stearin methyl ester) diesel blends, ethanol diesel blends to validate simulation results with experimental results, and observed that the present model is successful in predicting the engine performance with biofuels.

Keywords: Biofuels Zero Dimensional Modeling, EnginePerformance, Engine Emissions

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Authors: M. Ungurean, F. Fitigau, C. Paul, A. Ursoiu, F. Peter

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Pretreatment of lignocellulosic biomass materials from poplar, acacia, oak, and fir with different ionic liquids (ILs) containing 1-alkyl-3-methyl-imidazolium cations and various anions has been carried out. The dissolved cellulose from biomass was precipitated by adding anti-solvents into the solution and vigorous stirring. Commercial cellulases Celluclast 1.5L and Accelerase 1000 have been used for hydrolysis of untreated and pretreated lignocellulosic biomass. Among the tested ILs, [Emim]COOCH3 showed the best efficiency, resulting in highest amount of liberated reducing sugars. Pretreatment of lignocellulosic biomass using glycerol-ionic liquids combined pretreatment and dilute acid-ionic liquids combined pretreatment were evaluated and compared with glycerol pretreatment, ionic liquids pretreatment and dilute acid pretreatment.

Keywords: Cellulase, enzymatic hydrolysis, lignocellulosicbiomass, pretreatment.

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Authors: Tin A. Khaing

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Aloe vera has been used worldwide both for pharmaceutical, food, and cosmetic industries due to the plethora of biological activities of some of its metabolites. The aim of this study was to evaluate the antifungal and antioxidant activities of the leaf extract. The antifungal activity was determined by the agar-well diffusion method against plant and human fungal pathogens. The methanol and ethanol portions of the extracts studied were more bioactive than ethyl acetate portion. It was also observed that the activity was more pronounced on plant pathogen than human pathogen except Candida albicans. This is an indication that the extract has the potential to treat plant fungal infections. The Aloe extract showed the significant antioxidant activity by the DPPH radical scavenging method. Therefore, the Aloe extract provided as natural antioxidant has been used in health foods for medical and preservative purposes.

Keywords: Aloe vera, antifungal, antioxidant, DPPH

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Authors: Rizna Triana Dewi, Sanro Tachibana, Ahmad Darmawan

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The bioassay-guided isolation and purification of an ethyl acetate extract of Aspergillus terreus MC751 led to the characterization of butyrolactone I as an antidiabetic and antioxidant. The antidiabetic activity of butyrolactone I was evaluated by α- glucosidase and α-amylase inhibition assays. Butyrolactone I demonstrated significant concentration-dependent, mixed-type inhibitory activity against yeast α-glucosidase with an IC50 of 54μM. However, the compound exhibited less activity against rat intestinal α-glucosidase and α-amylase. This is the first report on α-glucosidase inhibitory activity of butyrolactone I. The antioxidative activity of butyrolactone I was evaluated based on scavenging effects on 1,1- diphenyl-2-picrylhydrazyl (DPPH) (IC50 =51 μM) and hydrogen peroxide (IC50= 141 μM) radicals as well as a reducing power assay. The results suggest that butyrolactone I is a promising antidiabetic as well as antioxidant and should be considered for clinical trials.

Keywords: Aspergillus terreus MC751, antidiabetic, antioxidant, Butyrolactone I.

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Authors: Priyanka R. Oberoi, Chandra B. Maurya, Prakash A. Mahanwar

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Ionizing radiation can cause a drastic change in the physical and chemical properties of the material exposed. Numerous medical devices are sterilized by ionizing radiation. In the current research paper, an attempt was made to develop precise and inexpensive polymeric film dosimeter which can be used for controlling radiation dosage. Polymeric film containing (pH sensitive dye) indicator dye Bromophenol blue (BPB) was casted to check the effect of Gamma radiation on its optical and physical properties. The film was exposed to gamma radiation at 4 kGy/hr in the range of 0 to 300 kGy at an interval of 50 kGy. Release of vinyl acetate from an emulsion on high radiation reacts with the BPB fading the color of the film from blue to light blue and then finally colorless, indicating a change in pH from basic to acidic form. The change was characterized by using CIE l*a*b*, ultra-violet spectroscopy and FT-IR respectively.

Keywords: Bromophenol blue, dosimeter, gamma radiation, polymer.

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Authors: Daomao Yang, Qizhi Wang

Abstract:

Monoterpenoids are mainly found in plant essential oils and they are ideal substrates for biotransformation into oxygen-containing derivatives with important commercial value due to their low price and simple structure. In this paper, eleven strains of endophytic fungi from Praxelis clematidea were used as test strains to conduct the whole cell biotransformation of the monoterpenoids: (+)-limonene, (-)-limonene and myrcene. The fungi were inoculated in 50 ml Sabouraud medium and incubated at 30 ℃ with the agitation of 150 r/min for 6 d, and then 0.5% (v/v) substrates were added into the medium and biotransformed for further 3 d. Afterwards the cultures were filtered, and extracted using equal volume of ethyl acetate. The metabolites were analyzed by GC-MS technique with NIST database. The Total Ion Chromatogram of the extractions from the eleven strains showed that the main product of (+)- and (-)-limonene biotransformation was limonene-1,2-diol, while it is limonene and linalool oxide for biotransformation of myrcene. This work will help screen the microorganisms to biotransform the monoterpenes.

Keywords: Endophytic fungi, (+)–limonene, (-)–limonene, myrcene.

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Authors: Ashraf M. Elsaid, Magd M. Badr, Mohamed S. Selim

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Water borne polyurethane (PU) based on newly prepared hyperbranched poly (amine-ester) (HBPAE) was applied and evaluated as organic coating material. HBPAE was prepared through one-pot synthesis between trimethylol propane as a core and AB2 branched monomer which was obtained via Michal addition of methyl methacrylate (MMA) and diethanol amine (DEA). PU was prepared from HBPAE using different ratios of toluene diisocyanate (TDI) to form cured coating film. The prepared HBPAE was characterized using; GPC, FT-IR and 1H-NMR. The mechanical properties (impact, hardness, adhesion, and flexibility), thermal properties (DSC and TGA) and chemical resistance of the applied film were estimated. The results indicated 50% of TDI is the selected ratio. This formulation represents a promising candidate to be used as coating material.

Keywords: Curing, Hyperbranched polymer, Polyurethane, Urethane-acrylates, water borne Coatings.

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Authors: Liliana M. Ştefan, Ana M. Pană, Geza Bandur, Marcel Popa, Lucian M. Rusnac

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Polymers are one of the most widely used materials in our every day life. The subject of renewable resources has attracted great attention in the last period of time. New polymeric materials derived from renewable resources, like carbohydrates draw attention to public eye especially because of their biocompatibility and biodegradability. The aim of our paper was to obtain environmentally compatible polymers from monosaccharides. Novel glycopolymers based on D-glucose have been obtained from copolymerization of a new monomer carrying carbohydrate moiety with methyl methacrylate (MMA) via free radical bulk polymerization. Differential scanning calorimetry (DSC) was performed in order to study the copolymerization process of the monomer into the chosen co-monomer; the activation energy of this process was evaluated using Ozawa method. The copolymers obtained were characterized using ATR-FTIR spectroscopy. The thermal stability of the obtained products was studied by thermogravimetry (TG).

Keywords: DSC, glycopolymer, monosaccarides, TG.

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Authors: Raluca-Cristina Buţurcă, CarlesM.Gasol, Xavier Gabarrell, Dan Scarpete

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The environmental performance of rapeseed oil (RO) and rapeseed methyl ester(RME) from winter rape as fuels produced in Romanian agroclimate is analyzed in this paper. The proposed methodology is life cycle assessment (LCA) and takes into consideration the influence of grain production and agroclimatic conditions. This study shows favorable results first for RO and then for RME. When compared to diesel fuel, both studied biofuels show better results in the following impact categories: Abiotic depletion potential (ADP), Ozone layer depletion (ODP) and Photochemical ozone creation potential (POCP).Furthermore, the environmental performance of the two biofuels studied can be improved by changing the type of fertilizer used and also by using biofuels instead of diesel in the field works.

Keywords: Biodiesel, life cycle assessment, rapeseed oil.

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Authors: Nikhil, Ari Visa, Chin-Chao Chen, Chiu-Yue Lin, Jaakko A. Puhakka, Olli Yli-Harja

Abstract:

A predictive clustering hybrid regression (pCHR) approach was developed and evaluated using dataset from H2- producing sucrose-based bioreactor operated for 15 months. The aim was to model and predict the H2-production rate using information available about envirome and metabolome of the bioprocess. Selforganizing maps (SOM) and Sammon map were used to visualize the dataset and to identify main metabolic patterns and clusters in bioprocess data. Three metabolic clusters: acetate coupled with other metabolites, butyrate only, and transition phases were detected. The developed pCHR model combines principles of k-means clustering, kNN classification and regression techniques. The model performed well in modeling and predicting the H2-production rate with mean square error values of 0.0014 and 0.0032, respectively.

Keywords: Biohydrogen, bioprocess modeling, clusteringhybrid regression.

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Authors: Lolita Tomsone, Zanda Kruma, Ruta Galoburda

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Horseradish (Armoracia rusticana) is a perennial herb belonging to the Brassicaceae family and contains biologically active substances. The aim of the current research was to determine best method for extraction of phenolic compounds from horseradish roots showing high antiradical activity. Three genotypes (No. 105; No. 106 and variety ‘Turku’) of horseradish roots were extracted with eight different solvents: n-hexane, ethyl acetate, diethyl ether, 2-propanol, acetone, ethanol (95%), ethanol / water / acetic acid (80/20/1 v/v/v) and ethanol / water (80/20 by volume) using two extraction methods (conventional and Soxhlet). As the best solvents ethanol and ethanol / water solutions can be chosen. Although in Soxhlet extracts TPC was higher, scavenging activity of DPPH˙ radicals did not increase. It can be concluded that using Soxhlet extraction method more compounds that are not effective antioxidants.

Keywords: DPPH˙, extraction, solvent, Soxhlet, TPC

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Authors: Shahid M. Khan, Muhammad H. Sayyad

Abstract:

An organic bulk heterojunction (BHJ) was fabricated using a blended film containing Copper (II) tetrakis(4-acumylphenoxy) phthalocyanine (Tc-CuPc) along with [6,6]-Phenyl C61 butyric acid methyl ester (PCBM). Weight ratio between Tc-CuPc and PCBM was 1:1. The electrical properties of Tc-CuPc: PCBM BHJ were examined. Rectifying nature of the BHJ was displayed by current-voltage (I-V) curves, recorded in dark and at various temperatures. At low voltages, conduction was ohmic succeeded by space-charge limiting current (SCLC) conduction at higher voltages in which exponential trap distribution was dominant. Series resistance, shunt resistance, ideality factor, effective barrier height and mobility at room temperature were found to be 526 4, 482 k4, 3.7, 0.17 eV and 2×10-7 cm2V-1s-1 respectively. Temperature effect towards different BHJ parameters was observed under dark condition.

Keywords: Bulk heterojunction, PCBM, phthalocyanine, spin coating.

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Authors: P. Suntornchot, T. Satapanajaru, S.D. Comfort

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Water, soil and sediment contaminated with metolachlor poses a threat to the environment and human health. We determined the effectiveness of nano-zerovalent iron (NZVI) to dechlorinate metolachlor [2-chloro-n-(2-ethyl-6-methyl-phenyl)-n- (1-methoxypropan-2-yl)acetamide] in pH solution and the presence of aluminium salt. The optimum dosage of degradation of 100 mlL-1 metolachlor was 1% (w/v) NZVI. The degradation kinetic rate (kobs) was 0.218×10-3 min-1 and specific first-order rates (kSA) was 8.72×10-7 L m-2min-1. By treating aqueous solutions of metolachlor with NZVI, metolachlor destruction rate were increased as the pH decrease from 10 to 4. Lowering solution pH removes Fe (III) passivating layers from the NZVI and makes it free for reductive transformations. Destruction kinetic rates were 20.8×10-3 min-1 for pH4, 18.9×10-3 min-1 for pH7, 13.8×10-3 min-1 for pH10. In addition, destruction kinetic of metolachlor by NZVI was enhanced when aluminium sulfate was added. The destruction kinetic rate were 20.4×10-3 min-1 for 0.05% Al(SO4)3 and 60×10-3 min-1 for 0.1% Al(SO4)3.

Keywords: destruction, kinetic rate, metolachlor, nano-zerovalent iron

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Authors: Baharak Khoshkholgh-Sima, Soroush Sardari, Jalal Izadi Mobarakeh, Ramezan Ali Khavari-Nejad

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There is an urgent need to develop novel Mycobacterium tuberculosis (Mtb) drugs that are active against drug resistant bacteria but, more importantly, kill persistent bacteria. Our study structured based on integrated analysis of metabolic pathways, small molecule screening and similarity Search in PubChem Database. Metabolic analysis approaches based on Unified weighted used for potent target selection. Our results suggest that pantothenate synthetase (panC) and and 3-methyl-2-oxobutanoate hydroxymethyl transferase (panB) as a appropriate drug targets. In our study, we used pantothenate synthetase because of existence inhibitors. We have reported the discovery of new antitubercular compounds through ligand based approaches using computational tools.

Keywords: In Silico, Ligand-based Virtual Screening, Metabolic Pathways, Mycobacterium tuberculosis

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