Search results for: Cytotoxic compounds

Authors: Ruta Galoburda, Zanda Kruma, Karina Ruse

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Dill contains range of phytochemicals, such as vitamin C and polyphenols, which significantly contribute to their total antioxidant activity. The aim of the current research was to determine the best blanching method for processing of dill prior to microwave vacuum drying based on the content of phenolic compounds, vitamin C and free radical scavenging activity. Two blanching mediums were used – water and steam, and for part of the samples microwave pretreatment was additionally used. Evaluation of vitamin C, phenolic contents and scavenging of DPPH˙ radical in dried dill was performed. Blanching had an effect on all tested parameters and the blanching conditions are very important. After evaluation of the results, as the best method for dill pretreatment was established blanching at 90 °C for 30 seconds.

Keywords: blanching, microwave vacuum drying, TPC, vitamin C.

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Authors: S. Azadmard-Damirchi, Sh. Emami, J. Hesari, S.H. Peighambardoust, M. Nemati

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Nuts are part of a healthy diet such as Mediterranean diet. Benefits of nuts in reducing the risk of heart disease has been reasonably attributed to their composition of vitamins, minerals, unsaturated fatty acids, fiber and phytochemicals such as polyphenols, tocopherols, squalene and phytosterols. More than 75% of total fatty acids of nuts are unsaturated. α- tocopherol is the main tocopherol isomer present in most of the nuts. While walnuts, Brazil nut, cashew nut, peanut, pecan and pistachio nuts are rich in γ- tocopherol. β- sitosterol is dominant sterol in nuts. Pistachio and pine nut have the highest total phytosterol and Brazil nut and English walnut the lowest. Walnuts also contain large amount of phenolic compounds compared with other nuts. Nuts are rich in compounds with antioxidant properties and their consumption can offer preventing from incidence of many diseases including cardiovascular.

Keywords: Nuts, phenols, phytosterols, squalene, vitamin E.

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Authors: Rui Qiu, Giles Hardy, Dong Qu, Robert Trengove, Manjree Agarwal, YongLin Ren

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Phytophthora cinnamomi (P. c) is a plant pathogenic oomycete that is capable of damaging plants in commercial production systems and natural ecosystems worldwide. The most common methods for the detection and diagnosis of P. c infection are expensive, elaborate and time consuming. This study was carried out to examine whether species specific and life cycle specific volatile organic compounds (VOCs) can be absorbed by solid-phase microextraction fibers and detected by gas chromatography that are produced by P. c and another oomycete Pythium dissotocum. A headspace solid-phase microextraction (HS-SPME) together with gas chromatography (GC) method was developed and optimized for the identification of the VOCs released by P. c. The optimized parameters included type of fiber, exposure time, desorption temperature and desorption time. Optimization was achieved with the analytes of P. c+V8A and V8A alone. To perform the HS-SPME, six types of fiber were assayed and compared: 7μm Polydimethylsiloxane (PDMS), 100μm Polydimethylsiloxane (PDMS), 50/30μm Divinylbenzene/CarboxenTM/Polydimethylsiloxane DVB/CAR/PDMS), 65μm Polydimethylsiloxane/Divinylbenzene (PDMS/DVB), 85μm Polyacrylate (PA) fibre and 85μm CarboxenTM/ Polydimethylsiloxane (Carboxen™/PDMS). In a comparison of the efficacy of the fibers, the bipolar fiber DVB/CAR/PDMS had a higher extraction efficiency than the other fibers. An exposure time of 16h with DVB/CAR/PDMS fiber in the sample headspace was enough to reach the maximum extraction efficiency. A desorption time of 3min in the GC injector with the desorption temperature of 250°C was enough for the fiber to desorb the compounds of interest. The chromatograms and morphology study confirmed that the VOCs from P. c+V8A had distinct differences from V8A alone, as did different life cycle stages of P. c and different taxa such as Pythium dissotocum. The study proved that P. c has species and life cycle specific VOCs, which in turn demonstrated the feasibility of this method as means of

Keywords: Gas chromatography, headspace solid-phase microextraction, optimization, volatile compounds.

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Authors: A. M. Tarola, R. Preti, A. M. Girelli, P. Campana

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Safeguarding, studying and enhancing biodiversity play an important and indispensable role in re-launching agriculture. The ancient local varieties are therefore a precious resource for genetic and health improvement. In order to protect biodiversity through the recovery and valorization of autochthonous varieties, in this study we analyzed 12 samples of four ancient apple cultivars representative of Friuli Venezia Giulia, selected by local farmers who work on a project for the recovery of ancient apple cultivars. The aim of this study is to evaluate the polyphenolic profile and the antioxidant capacity that characterize the organoleptic and functional qualities of this fruit species, besides having beneficial properties for health. In particular, for each variety, the following compounds were analyzed, both in the skins and in the pulp: gallic acid, catechin, chlorogenic acid, epicatechin, caffeic acid, coumaric acid, ferulic acid, rutin, phlorizin, phloretin and quercetin to highlight any differences in the edible parts of the apple. The analysis of individual phenolic compounds was performed by High Performance Liquid Chromatography (HPLC) coupled with a diode array UV detector (DAD), the antioxidant capacity was estimated using an in vitro essay based on a Free Radical Scavenging Method and the total phenolic compounds was determined using the Folin-Ciocalteau method. From the results, it is evident that the catechins are the most present polyphenols, reaching a value of 140-200 μg/g in the pulp and of 400-500 μg/g in the skin, with the prevalence of epicatechin. Catechins and phlorizin, a dihydrohalcone typical of apples, are always contained in larger quantities in the peel. Total phenolic compounds content was positively correlated with antioxidant activity in apple pulp (r² = 0,850) and peel (r² = 0,820). Comparing the results, differences between the varieties analyzed and between the edible parts (pulp and peel) of the apple were highlighted. In particular, apple peel is richer in polyphenolic compounds than pulp and flavonols are exclusively present in the peel. In conclusion, polyphenols, being antioxidant substances, have confirmed the benefits of fruit in the diet, especially as a prevention and treatment for degenerative diseases. They demonstrated to be also a good marker for the characterization of different apple cultivars. The importance of protecting biodiversity in agriculture was also highlighted through the exploitation of native products and ancient varieties of apples now forgotten.

Keywords: Apple, biodiversity, polyphenols, antioxidant activity, HPLC-DAD, characterization.

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Authors: F. Benkaci-Ali, R. Mekaoui, G. Eppe, E. De Pau, J. F. Faucont

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Team distillation assisted by microwave extraction (SDAM) considered as accelerated technique extraction is a combination of microwave heating and steam distillation, performed at atmospheric pressure. SDAM has been compared with the same technique coupled with the cryogrinding of seeds (SDAM -CG). Isolation and concentration of volatile compounds are performed by a single stage for the extraction of essential oil from Cuminum cyminum seeds. The essential oils extracted by these two methods for 5 min were quantitatively (yield) and qualitatively (aromatic profile) no similar. These methods yield an essential oil with higher amounts of more valuable oxygenated compounds, and allow substantial savings of costs, in terms of time, energy and plant material. SDAM and SDAM-CG is a green technology and appears as a good alternative for the extraction of essential oils from aromatic plants.

Keywords: Steam distillation, microwave extraction, Cuminum cyminum, chromatography, mass spectrometry

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Authors: Liga Priecina, Daina Karklina

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Antioxidants are became the most analyzed substances in last decades. Antioxidants act as in activator for free radicals. Spices and vegetables are one of major antioxidant sources. Most common antioxidants in vegetables and spices are vitamin C, E, phenolic compounds, carotenoids. Therefore, it is important to get some view about antioxidant changes in spices and vegetables during processing. In this article was analyzed nine fresh and dried spices and vegetables- celery (Apium graveolens), parsley (Petroselinum crispum), dill (Anethum graveolens), leek (Allium ampeloprasum L.), garlic (Allium sativum L.), onion (Allium cepa), celery root (Apium graveolens var. rapaceum), pumpkin (Curcubica maxima), carrot (Daucus carota)- grown in Latvia 2013. Total carotenoids and phenolic compounds and their antiradical scavenging activity were determined for all samples. Dry matter content was calculated from moisture content. After drying process carotenoid content significantly decreases in all analyzed samples, except one -carotenoid content increases in parsley. Phenolic composition was different and depends on sample – fresh or dried. Total phenolic, flavonoid and phenolic acid content increases in dried spices. Flavan-3-ol content is not detected in fresh spice samples. For dried vegetables- phenolic acid content decreases significantly, but increases flavan-3-ols content. The higher antiradical scavenging activity was observed in samples with higher flavonoid and phenolic acid content.

Keywords: Antiradical scavenging activity, carotenoids, phenolic compounds, spices, vegetables.

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Authors: C. P. Parente, M. J. Reis Lima, E. Teixeira-Lemos, M. M. Moreira, Aquiles A. Barros, Luís F. Guido

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Broccoli has been widely recognized as a wealthy vegetable which contains multiple nutrients with potent anti-cancer properties. Lamb’s lettuce has been used as food for many centuries but only recently became commercially available and literature is therefore exiguous concerning these vegetables. The aim of this work was to evaluate the influence of the extraction conditions on the yield of phenolic compounds and the corresponding antioxidant capacity of broccoli and lamb’s lettuce. The results indicate that lamb’s lettuce, compared to broccoli, contains simultaneously a large amount of total polyphenols as well as high antioxidant activity. It is clearly demonstrated that extraction solvent significantly influences the antioxidant activity. Methanol is the solvent that can globally maximize the antioxidant extraction yield. The results presented herein prove lamb’s lettuce as a very interesting source of polyphenols, and thus a potential health-promoting food.

Keywords: Broccoli, lamb’s lettuce, extraction, antioxidant activity, phenolic compounds.

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Authors: A. Heshmati, M. Y Alikhani, M. T. Godarzi, M. R. Sadeghimanesh

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Herbal essential oil and extracts are a good source of natural antioxidants and antimicrobial compounds. Hypericum is one of the potential sources of these compounds. In this study, the antioxidant and antimicrobial activity of essential oil and aqueous, methanol, ethanol, ethyl acetate and acetone extract of Hypericum scabrum was assessed. Flowers of Hypericum scabrum were collected from the surrounding mountains of Hamadan province and after drying in the shade, the essential oil of the plant was extracted by Clevenger and water, methanol, ethanol, ethyl acetate and acetone extract was obtained by maceration method. Essential oil compounds were identified using the GC-Mass. The Folin-Ciocalteau and aluminum chloride (AlCl₃) colorimetric method was used to measure the amount of phenolic acid and flavonoids, respectively. Antioxidant activity was evaluated using DPPH and FRAP. The minimum inhibitory concentration (MIC) and the minimum bacterial/fungicide concentration (MBC/MFC) of essential oil and extracts were evaluated against Staphylococcus aureus, Bacillus cereus, Pseudomonas aeruginosa, Salmonella typhimurium, Aspergillus flavus and Candida albicans. The essential oil yield of was 0.35%, the lowest and highest extract yield was related to ethyl acetate and water extract. The most component of essential oil was α-Pinene (46.35%). The methanol extracts had the highest phenolic acid (95.65 ± 4.72 µg galic acid equivalent/g dry plant) and flavonoids (25.39 ± 2.73 µg quercetin equivalent/g dry plant). The percentage of DPPH radical inhibition showed positive correlation with concentrations of essential oil or extract. The methanol and ethanol extract had the highest DDPH radical inhibitory. Essential oil and extracts of Hypericum had antimicrobial activity against the microorganisms studied in this research. The MIC and MBC values for essential oils were in the range of 25-25.6 and 25-50 μg/mL, respectively. For the extracts, these values were 1.5625-100 and 3.125-100 μg/mL, respectively. Methanol extracts had the highest antimicrobial activity. Essential oil and extract of Hypericum scabrum, especially methanol extract, have proper antimicrobial and antioxidant activity, and it can be used to control the oxidation and inhibit the growth of pathogenic and spoilage microorganisms. In addition, it can be used as a substitute for synthetic antioxidant and antimicrobial compounds.

Keywords: Antimicrobial, antioxidant, extract, hypericum.

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Authors: Dewi S. Fardhyanti, Panut Mulyono, Wahyudi B. Sediawan, Muslikhin Hidayat

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Coal tar is a liquid by-product of the process of coal gasification and carbonation. This liquid oil mixture contains various kinds of useful compounds such as phenol, o-cresol, and p-cresol. These compounds are widely used as raw material for insecticides, dyes, medicines, perfumes, coloring matters, and many others. This research needed to be done that given the optimum conditions for the separation of phenol, o-cresol, and p-cresol from the coal tar by solvent extraction process. The aim of the present work was to study the effect of two kinds of aqueous were used as solvents: methanol and acetone solutions, the effect of temperature (298, 306, and 313K) and mixing (30, 35, and 40rpm) for the separation of phenol, o-cresol, and p-cresol from coal tar by solvent extraction. Results indicated that phenol, o-cresol, and p-cresol in coal tar were selectivity extracted into the solvent phase and these components could be separated by solvent extraction. The aqueous solution of methanol, mass ratio of solvent to feed, Eo/Ro=1, extraction temperature 306K and mixing 35 rpm were the most efficient for extraction of phenol, o-cresol, and p-cresol from coal tar.

Keywords: Coal tar, Distribution coefficient, Extraction, Yield.

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Authors: M. E. Khalifa, A. A. Gobouri

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Potential synthesis of a series of 3-amino-4-arylazothiophene derivatives from reaction of 2-cyano-2-phenylthiocarbamoyl acetamide and the appropriate α-halogenated reagents, followed by coupling with different aryl diazonium salts (Japp-Klingemann reaction), and another series of 5-arylazo-thiazol-2-ylcarbamoyl-thiophene derivatives from base-catalyzed intramolecular condensation of 5-arylazo-2-(N-chloroacetyl)amino-thiazole with selected b-keto compounds (Thorpe-Ziegler reaction) was performed. The biological activity of the two series was studied in vitro. Their versatility for pharmaceutical purposes was reported, where they displayed remarkable activities against selected pathogenic microorganisms; Bacillus subtilis, Staphylococcus aureus (Gram positive bacteria), Escherichia coli, Pseudomonas aeruginosa (Gram negative bacteria), and Aspergillus flavus, Candida albicans (fungi) with various degrees related to their chemical structures.

Keywords: 2-Aminothiazole, antimicrobial, monoazo compounds, thiophene, pathogenic microorganisms.

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Authors: Dmitriy Yu. Korulkin, Raissa A. Muzychkina

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The article represents the results of research of antitumor activity of different structural types of plant flavonoids extracted by authors from Polygonum L. plants in commercial reserves at the territory of the Republic of Kazakhstan. For the first time ever the results comparative research of antitumor activity of plant flavonoids of different structural groups and their synthetic derivatives have been represented. The results of determination of toxicity of flavonoids in single parenteral infusion conditions have been represented. Experimental substantiation of possible mechanisms of antiproliferative and cytotoxic action of flavonoids has been suggested. The perspectives of usage of plant flavonoids as medications and creation of effective dosage forms of antitumor medicines on their basis have been substantiated.

Keywords: Antitumor activity, cytotoxicity, flavonoids, Polygonum L., secondary metabolites.

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Authors: Ponco Iswanto, Mochammad Chasani, Muhammad Hanafi, Iqmal Tahir, Eva Vaulina YD, Harjono, Lestari Solikhati, Winkanda S. Putra, Yayuk Yuliantini

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Quantitative Structure-Activity Relationship (QSAR) approach for discovering novel more active Calanone derivative as anti-leukemia compound has been conducted. There are 6 experimental activities of Calanone compounds against leukemia cell L1210 that are used as material of the research. Calculation of theoretical predictors (independent variables) was performed by AM1 semiempirical method. The QSAR equation is determined by Principle Component Regression (PCR) analysis, with Log IC50 as dependent variable and the independent variables are atomic net charges, dipole moment (μ), and coefficient partition of noctanol/ water (Log P). Three novel Calanone derivatives that obtained by this research have higher activity against leukemia cell L1210 than pure Calanone.

Keywords: AM1 semiempirical calculation, Calanone, Principle Component Regression, QSAR approach.

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Authors: K. Reza-Yazdi, M. Fallah, M. Khodaparast, F. Kateb, M. Hosseini-Ghaffari

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The objective of this study was to determine effect of dietary essential oil (EO) compounds, which contained cinnamaldehyde, eugenol, peppermint, coriander, cumin, lemongrass, and an organic carrier on feed intake, milk composition, and rumen fermentation of dairy cows during heat exposure. Thirty-two Holstein cows (days in milk= 60 ± 5) were assigned to one of two treatment groups: a Control and EO fed. The experiment lasted 28 days. Dry matter intake (DMI) was measured daily while and milk production was measured weekly. Our result showed that DMI and milk yield was decreased (P < 0.01) in control cows relative to EO cows. Furthermore, supplementation with EO was associated with a decrease in the molar proportion of propionate (P < 0.05) and increase (P < 0.05) in acetate to propionate ratio. In conclusion, EO supplementations in diets can be useful nutritional modification to alleviate for the decrease DMI and milk production during heat exposure in lactating dairy cows.

Keywords: Dairy cow, feed additive, plant extract.

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Authors: Nuttawan Yoswathana, M. N. Eshiaghi, K. Jaturapornpanich

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The traditional method for essential oil extraction from agarwood (Aquilaria Crassna) is to soak it in water and follow with hydrodistillation. The effect of various agarwood pretreatments: ethanol, acid, alkaline, enzymes, and ultrasound, and the effect of subcritical water extraction(SWE) was studied to compare with the traditional method. The major compositions of agarwood oil from hydrodistillation were aroma compounds as follow: aristol-9-en-8- one (21.53%), selina-3, 7(11)-diene (12.96%), τ-himachalene (9.28%), β-guaiene (5.79%), hexadecanoic acid (4.90%) and guaia- 3,9-diene (4.21%). Whereas agarwood oil from pretreatments with ethanol and ultrasound, and SWE got fatty acid compounds. Extraction of agarwood oil using these pretreatments could improve the agarwood oil yields up to 2 times that of the traditional method. The components of the pretreated sample with diluted acid (H2SO4) at pH 4 gave quite similar results as the traditional method. Therefore, the enhancement of essential oil from agarwood depends on requirement of type of extracted oil that involved extraction methods.

Keywords: Agarwood, aquilaria crassna, hydrodistillation, subcritical water extraction.

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Authors: R. Mousli, A. Tazerouti

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This work deals with the synthesis and the determination of some surface properties of a new anionic surfactant belonging to sulfonamide derivatives. The interest in this new surfactant is that its behavior in aqueous solution is interesting both from a fundamental and a practice point of view. Indeed, it is well known that this kind of surfactant leads to the formation of bilayer structures, and the microstructures obtained have applications in various fields, ranging from cosmetics to detergents, to biological systems such as cell membranes and bioreactors. The surfactant synthesized from pure n-alkane by photosulfochlorination and derivatized using N-ethanol amine is a mixture of position isomers. These compounds have been analyzed by Gas Chromatography coupled to Mass Spectrometry by Electron Impact mode (GC -MS/IE), and IR. The surface tension measurements were carried out, leading to the determination of the critical micelle concentration (CMC), surface excess and the area occupied per molecule at the interface. The foaming power has also been determined by Bartsch method, and the results have been compared to those of commercial surfactants. The stability of the foam formed has also been evaluated. These compounds show good foaming power characterized in most cases by dry foam.

Keywords: Non ionic surfactants, GC-MS, surface properties, CMC, foam power.

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Authors: P. Acosta-Santamaría, A. Ibatá-Soto, A. López-Vásquez

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Organic compounds in wastewaters coming from textile and pharmaceutical industry generated multiple harmful effects on the environment and the human health. One of them is the methyl orange (MeO), an azoic dye considered to be a recalcitrant compound. The heterogeneous photocatalysis emerges as an alternative for treating this type of hazardous compounds, through the generation of OH radicals using radiation and a semiconductor oxide. According to the author’s knowledge, catalysts such as TiO₂ doped with metals show high efficiency in degrading MeO; however, this presents economic limitations on industrial scale. Black sand can be considered as a naturally doped catalyst because in its structure is common to find compounds such as titanium, iron and aluminum oxides, also elements such as zircon, cadmium, manganese, etc. This study reports the photocatalytic activity of the mineral black sand used as semiconductor in the discoloration of MeO by oxidation and reduction photocatalytic techniques. For this, magnetic composites from the mineral were prepared (RM, M1, M2 and NM) and their activity were tested through MeO discoloration while TiO₂ was used as reference. For the fractions, chemical, morphological and structural characterizations were performed using Scanning Electron Microscopy with Energy Dispersive X-Ray (SEM-EDX), X-Ray Diffraction (XRD) and X-Ray Fluorescence (XRF) analysis. M2 fraction showed higher MeO discoloration (93%) in oxidation conditions at pH 2 and it could be due to the presence of ferric oxides. However, the best result to reduction process was using M1 fraction (20%) at pH 2, which contains a higher titanium percentage. In the first process, hydrogen peroxide (H₂O₂) was used as electron donor agent. According to the results, black sand mineral can be used as natural semiconductor in photocatalytic process. It could be considered as a photocatalyst precursor in such processes, due to its low cost and easy access.

Keywords: Black sand mineral, methyl orange, oxidation, photocatalysis, reduction.

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Authors: K. Mohammed, M. Agarwal, J. Mewman, Y. Ren

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An optimum technic has been developed for extracting volatile organic compounds which contribute to the aroma of lime fruit (Citrus aurantifolia). The volatile organic compounds of healthy and infested lime fruit with California red scale Aonidiella aurantii were characterized using headspace solid phase microextraction (HS-SPME) combined with gas chromatography (GC) coupled flame ionization detection (FID) and gas chromatography with mass spectrometry (GC-MS) as a very simple, efficient and nondestructive extraction method. A three-phase 50/30 μm PDV/DVB/CAR fibre was used for the extraction process. The optimal sealing and fibre exposure time for volatiles reaching equilibrium from whole lime fruit in the headspace of the chamber was 16 and 4 hours respectively. 5 min was selected as desorption time of the three-phase fibre. Herbivorous activity induces indirect plant defenses, as the emission of herbivorous-induced plant volatiles (HIPVs), which could be used by natural enemies for host location. GC-MS analysis showed qualitative differences among volatiles emitted by infested and healthy lime fruit. The GC-MS analysis allowed the initial identification of 18 compounds, with similarities higher than 85%, in accordance with the NIST mass spectral library. One of these were increased by A. aurantii infestation, D-limonene, and three were decreased, Undecane, α-Farnesene and 7-epi-α-selinene. From an applied point of view, the application of the above-mentioned VOCs may help boost the efficiency of biocontrol programs and natural enemies’ production techniques.

Keywords: Lime fruit, Citrus aurantifolia, California red scale, Aonidiella aurantii, VOCs, HS-SPME/GC-FID-MS.

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

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

Keywords: SMC, LD-SMC, A-SMC, HGM, damage.

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Authors: Ibrahim Abdul Razak, Suhana Arshad, Nur Rafikah Razali, Azhar Abdul Rahman, Mohd Sukeri Mohd Yusof

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Theoretical investigations are performed by DFT method of B3LYP/6-31G+(2d,p) and B3LYP/6-311G+(2d,p) basis sets for three carbonyl thiourea compounds, namely N-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound I), N-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound II) and 2,2-Diphenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide (Compound III). Theoretical calculations for bond parameters, harmonic vibration frequencies and isotropic chemical shifts are in good agreement with the experimental results. The calculated molecular vibrations show good correlation values, which are 0.998 and 0.999 with the experimental data. The energy gap for compounds I, II and III calculated at B3LYP/6-31G+(2d,p) basis set are 4.455866117, 4.297495791 and 4.313550514 eV respectively, while for B3LYP/6-311G+(2d,p) basis set the energy gap obtained are 4.453689205 (Compound I), 4.311373603 (Compound II) and 4.315727426 (Compound III) eV.

Keywords: Crystallization, DFT studies, Spectroscopic Analysis, Thiourea.

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Authors: Douglas N. Simões, Michele Pittol, Vanda F. Ribeiro, Daiane Tomacheski, Ruth M. C. Santana

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The increasing demand of thermoplastic elastomers is related to the wide range of applications, such as automotive, footwear, wire and cable industries, adhesives and medical devices, cell phones, sporting goods, toys and others. These materials are susceptible to microbial attack. Moisture and organic matter present in some areas (such as shower area and sink), provide favorable conditions for microbial proliferation, which contributes to the spread of diseases and reduces the product life cycle. Compounds based on SEBS copolymers, poly(styrene-b-(ethylene-co-butylene)-b-styrene, are a class of thermoplastic elastomers (TPE), fully recyclable and largely used in domestic appliances like bath mats and tooth brushes (soft touch). Zinc oxide and zinc ions loaded in personal and home care products have become common in the last years due to its biocidal effect. In that sense, the aim of this study was to evaluate the effect of zinc as antimicrobial agent in compounds based on SEBS/polypropylene/oil/ calcite for use as refrigerator seals (gaskets), bath mats and sink squeegee. Two zinc oxides from different suppliers (ZnO-Pe and ZnO-WR) and one masterbatch of zinc ions (M-Zn-ion) were used in proportions of 0%, 1%, 3% and 5%. The compounds were prepared using a co-rotating double screw extruder (L/D ratio of 40/1 and 16 mm screw diameter). The extrusion parameters were kept constant for all materials. Tests specimens were prepared using the injection molding machine. A compound with no antimicrobial additive (standard) was also tested. Compounds were characterized by physical (density), mechanical (hardness and tensile properties) and rheological properties (melt flow rate - MFR). The Japan Industrial Standard (JIS) Z 2801:2010 was applied to evaluate antibacterial properties against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli). The Brazilian Association of Technical Standards (ABNT) NBR 15275:2014 were used to evaluate antifungal properties against Aspergillus niger (A. niger), Aureobasidium pullulans (A. pullulans), Candida albicans (C. albicans), and Penicillium chrysogenum (P. chrysogenum). The microbiological assay showed a reduction over 42% in E. coli and over 49% in S. aureus population. The tests with fungi showed inconclusive results because the sample without zinc also demonstrated an inhibition of fungal development when tested against A. pullulans, C. albicans and P. chrysogenum. In addition, the zinc loaded samples showed worse results than the standard sample when tested against A. niger. The zinc addition did not show significant variation in mechanical properties. However, the density values increased with the rise in ZnO additives concentration, and had a little decrease in M-Zn-ion samples. Also, there were differences in the MFR results in all compounds compared to the standard.

Keywords: Antimicrobial, home device, SEBS, zinc.

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Authors: Amit Kumar Bhandary, Prithviraj Gupta, Siddhartha Mukherjee, Mahua Ghosh Chaudhuri, Rajib Dey

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Chromite ores are primarily used for extraction of chromium, which is an expensive metal. For low grade chromite ores (containing less than 40% Cr₂O₃), the chromium extraction is not usually economically viable. India possesses huge quantities of low grade chromite reserves. This deposit can be utilized after proper physical beneficiation. Magnetic separation techniques may be useful after reduction for the beneficiation of low grade chromite ore. The sample collected from the sukinda mines is characterized by XRD which shows predominant phases like maghemite, chromite, silica, magnesia and alumina. The raw ore is crushed and ground to below 75 micrometer size. The microstructure of the ore shows that the chromite grains surrounded by a silicate matrix and porosity observed the exposed side of the chromite ore. However, this ore may be utilized in refractory applications. Chromite ores contain Cr₂O₃, FeO, Al₂O₃ and other oxides like Fe-Cr, Mg-Cr have a high tendency to form spinel compounds, which usually show high refractoriness. Initially, the low grade chromite ore (containing 34.8% Cr₂O₃) was reduced at 1200 ⁰C for 80 minutes with 30% coke fines by weight, before being subjected to magnetic separation. The reduction by coke leads to conversion of higher state of iron oxides converted to lower state of iron oxides. The pre-reduced samples are then characterized by XRD. The magnetically inert mass was then reacted with 20% MgO by weight at 1450 ⁰C for 2 hours. The resultant product was then tested for various refractoriness parameters like apparent porosity, slag resistance etc. The results were satisfactory, indicating that the resultant spinel compounds are suitable for refractory applications for elevated temperature processes.

Keywords: Apparent porosity, beneficiation, low grade chromite, refractory, spinel compounds, slag resistance.

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Authors: Tatyana Alexandrova, Alexandr Alexandrov, Nadezhda Nikolaeva

Abstract:

A problem of complex mineral resources development is urgent and priority, it is aimed at realization of the processes of their ecologically safe development, one of its components is revealing the influence of the forms of element compounds in raw materials and in the processing products. In view of depletion of the precious metal reserves at the traditional deposits in the XXI century the large-size open cast deposits, localized in black shale strata begin to play the leading role. Carbonaceous (black) shales carry a heightened metallogenic potential. Black shales with high content of carbon are widely distributed within the scope of Bureinsky massif. According to academician Hanchuk`s data black shales of Sutirskaya series contain generally PGEs native form. The presence of high absorptive towards carbonaceous matter gold and PGEs compounds in crude ore results in decrease of valuable components extraction because of their sorption into dissipated carbonaceous matter.

Keywords: Сarbonaceous rocks, bitumens, precious metals, concentration, extraction.

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Authors: C. S. Marques, M. J. Reis Lima, J. Oliveira, E. Teixeira-Lemos

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The growing concerns for physical wellbeing and health have been reflected in the way we choose food in our table. Nowadays, we are all more informed consumers and choose healthier foods. On the other hand, stroke, cancer and atherosclerosis may be somehow minimized by the intake of some bioactive compounds present in food, the so-called nutraceuticals and functional foods. The aim of this work was to make a revision of the published studies about the effects of some bioactive compounds, namely lycopene in human health, in the prevention of diseases, thus playing the role of a functional food. Free radical in human body can induce cell damage and consequently can be responsible for the development of some cancers and chronic diseases. Lycopene is one of the most powerful antioxidants known, being the predominant carotenoid in tomato. The respective chemistry, bioavailability, and its functional role in the prevention of several diseases will be object of this work. On the other hand, the inclusion of lycopene in some foods can also be made by biotechnology and represents a way to recover the wastes in the tomato industry with nutritional positive effects in health.

Keywords: Tomato, lycopene, bioavailability, functional foods, carotenoids, cancer and antioxidants.

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Authors: Mohammad Khosravi, Ali Kiani, Behroz Dastar, Parvin Showrang

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Review was carried out on important anti-nutritional compounds of livestock and poultry foods and the effect of radiation usage. Nowadays, with advancement in technology, different methods have been considered for the optimum usage of nutrients in livestock and poultry foods. Steaming, extruding, pelleting, and the use of chemicals are the most common and popular methods in food processing. Use of radiation in food processing researches in the livestock and poultry industry is currently highly regarded. Ionizing (electrons, gamma) and non-ionizing beams (microwave and infrared) are the most useable rays in animal food processing. In recent researches, these beams have been used to remove and reduce the anti-nutritional factors and microbial contamination and improve the digestibility of nutrients in poultry and livestock food. The evidence presented will help researchers to recognize techniques of relevance to them. Simplification of some of these techniques, especially in developing countries, must be addressed so that they can be used more widely.

Keywords: Antitrypsin, gamma anti-nutritional components, phytic acid, radiation.

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Authors: E. A. Asabina, V. I. Pet'kov, P. A. Mayorov, A. V. Markin, N. N. Smirnova, A. M. Kovalskii, A. A. Usenko

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The purpose of this work was to synthesize and investigate phase formation, structure and thermophysical properties of the phosphates M_0.5+xM'_xZr_2–x(PO₄)₃ (M – Cd, Sr, Pb; M' – Mg, Co, Mn). The compounds were synthesized by sol-gel method. The results showed formation of limited solid solutions of NZP/NASICON type. The crystal structures of triple phosphates of the compositions MMg_0.5Zr_1.5(PO₄)₃ were refined by the Rietveld method using XRD data. Heat capacity (8–660 K) of the phosphates Pb_0.5+xMg_xZr_2-x(PO₄)₃ (x = 0, 0.5) was measured, and reversible polymorphic transitions were found at temperatures, close to the room temperature. The results of Rietveld structure refinement showed the polymorphism caused by disordering of lead cations in the cavities of NZP/NASICON structure. Thermal expansion (298−1073 K) of the phosphates MMg_0.5Zr_1.5(PO₄)₃ was studied by XRD method, and the compounds were found to belong to middle and low-expanding materials. Thermal diffusivity (298–573 K) of the ceramic samples of phosphates slightly decreased with temperature increasing. As was demonstrated, the studied phosphates are characterized by the better thermophysical characteristics than widespread fire-resistant materials, such as zirconia and etc.

Keywords: NASICON, NZP, phosphate, structure, synthesis, thermophysical properties.

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Authors: Suman Bala, Sunil Kamboj, Vipin Saini

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Quantitative Structure Activity Relationship (QSAR) analysis has been developed to relate antifungal activity of novel substituted 1,3,4-oxadiazole against Candida albicans and Aspergillus niger using computer assisted multiple regression analysis. The study has shown the better relationship between antifungal activities with respect to various descriptors established by multiple regression analysis. The analysis has shown statistically significant correlation with R² values 0.932 and 0.782 against Candida albicans and Aspergillus niger respectively. These derivatives were further subjected to molecular docking studies to investigate the interactions between the target compounds and amino acid residues present in the active site of glucosamine-6-phosphate synthase. All the synthesized compounds have better docking score as compared to standard fluconazole. Our results could be used for the further design as well as development of optimal and potential antifungal agents.

Keywords: 1, 3, 4-Oxadiazole, QSAR, Multiple linear regression, Docking, Glucosamine-6-Phosphate Synthase.

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Authors: S. Iijima, K. Nakayama, D. Kuchar, M. Kubota, H. Matsuda

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Regenerative Thermal Oxidizer (RTO) is one of the best solutions for removal of Volatile Organic Compounds (VOC) from industrial processes. In the RTO, VOC in a raw gas are usually decomposed at 950-1300 K and the combustion heat of VOC is recovered by regenerative heat exchangers charged with ceramic honeycombs. The optimization of the treatment of VOC leads to the reduction of fuel addition to VOC decomposition, the minimization of CO2 emission and operating cost as well. In the present work, the thermal efficiency of the RTO was investigated experimentally in a pilot-scale RTO unit using toluene as a typical representative of VOC. As a result, it was recognized that the radiative heat transfer was dominant in the preheating process of a raw gas when the gas flow rate was relatively low. Further, it was found that a minimum heat exchanger volume to achieve self combustion of toluene without additional heating of the RTO by fuel combustion was dependent on both the flow rate of a raw gas and the concentration of toluene. The thermal efficiency calculated from fuel consumption and the decomposed toluene ratio, was found to have a maximum value of 0.95 at a raw gas mass flow rate of 1810 kg·h-1 and honeycombs height of 1.5m.

Keywords: Regenerative Heat Exchange, Self Combustion, Toluene, Volatile Organic Compounds.

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Authors: C de Almeida, I. M. Dal Fabbro

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The Brazilian Agricultural Products Wholesale Market fits well as example of residues generating system, reaching 750 metric tons per month of total residues, from which 600 metric tons are organic material and 150 metric tons are recyclable materials. Organic material is basically composed of fruit, vegetables and flowers leftovers from the products commercialization. The recyclable compounds are generate from packing material employed in the commercialization process. This research work devoted efforts in carrying quantitative analysis of the residues generated in the agricultural enterprise at its final destination. Data survey followed the directions implemented by the Residues Management Program issued by the agricultural enterprise. It was noticed from that analysis the necessity of changing the logistics applied to the recyclable material collecting process. However, composting process was elected as the organic compounds destination which is considered adequate for a material composed of significant percentage of organic matter far higher than wood, cardboard and plastics contents.

Keywords: Composting, environment, recycling, solid waste.

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Authors: Yağmur Karakuş, Fatih Aynacı, Ekin Kıpçak, Mesut Akgün

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Hydrogen is an important chemical in many industries and it is expected to become one of the major fuels for energy generation in the future. Unfortunately, hydrogen does not exist in its elemental form in nature and therefore has to be produced from hydrocarbons, hydrogen-containing compounds or water. Above its critical point (374.8oC and 22.1MPa), water has lower density and viscosity, and a higher heat capacity than those of ambient water. Mass transfer in supercritical water (SCW) is enhanced due to its increased diffusivity and transport ability. The reduced dielectric constant makes supercritical water a better solvent for organic compounds and gases. Hence, due to the aforementioned desirable properties, there is a growing interest toward studies regarding the gasification of organic matter containing biomass or model biomass solutions in supercritical water. In this study, hydrogen and biofuel production by the catalytic gasification of 2-Propanol in supercritical conditions of water was investigated. Pt/Al2O3and Ni/Al2O3were the catalysts used in the gasification reactions. All of the experiments were performed under a constant pressure of 25MPa. The effects of five reaction temperatures (400, 450, 500, 550 and 600°C) and five reaction times (10, 15, 20, 25 and 30 s) on the gasification yield and flammable component content were investigated.

Keywords: 2-Propanol, Gasification, Ni/Al2O3, Pt/Al2O3, Supercritical water.

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Authors: L. F. Amaro, M. T. Soares, C. Pinho, I. F. Almeida, I. M. P. L. V. O. Ferreira, O. Pinho

Abstract:

The strawberry jam is rich in bioactive compounds. It is economically and commercially important and widely consumed. Different strawberries cultivars can be used for its preparation, however, a careful selection should be performed to guarantee the preservation of bioactive compounds during jam storage. Two strawberry cultivars (Camarosa and American 13) were analyzed by HPLC, three anthocyanins: cyanidin-3-glucoside, pelargonidin-3- glucoside and pelargonidin-3-rutinoside were quantified. Camarosa strawberries presented significantly higher concentration of anthocyanins (p<0.05), and greater radical-scavenging activity. During jam storage period significant changes occurred regarding anthocyanin composition, at 15 and 60 days. Jams stored in dark presented slightly higher levels of anthocyanins. No significant changes were observed in jam-s radical-scavenging activity between 15 and 60 days of storage under dark and light conditions. Camarosa cultivar is more appropriate for strawberry jam preparation because it contains higher levels of anthocyanins and higher radical-scavenging activity.

Keywords: American 13, Anthocyanin, Camarosa, Radical- Scavenging Activity, Strawberry Jams

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