Search results for: halogenated hydrocarbons
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 312

Search results for: halogenated hydrocarbons

312 Biosynthesis of Natural and Halogenated Plant Alkaloids in Yeast

Authors: Beata J. Lehka, Samuel A. Bradley, Frederik G. Hansson, Khem B. Adhikari, Daniela Rago, Paulina Rubaszka, Ahmad K. Haidar, Ling Chen, Lea G. Hansen, Olga Gudich, Konstantina Giannakou, Yoko Nakamura, Thomas Dugé de Bernonville, Konstantinos Koudounas, Sarah E. O’Connor, Vincent Courdavault, Jay D. Keasling, Jie Zhang, Michael K. Jensen

Abstract:

Monoterpenoid indole alkaloids (MIAs) represent a large class of natural plant products with marketed pharmaceutical activities against a wide range of applications, including cancer and mental disorders. Halogenated MIAs have shown improved pharmaceutical properties; however, characterisation and synthesis of new-to-nature halogenated MIAs remain a challenge in slow-growing plants with limited genetic tractability. Here, we demonstrate a platform for de novo biosynthesis of two bioactive MIAs, serpentine and alstonine, in baker’s yeast Saccharomyces cerevisiae, reaching titers of 8.85 mg/L and 4.48 mg/L, respectively, when cultivated in fed-batch micro bioreactors. Using this MIA biosynthesis platform, we undertake a systematic exploration of the derivative space surrounding these compounds and produce halogenated MIAs. The aim of the current study is to develop a fermentation process for halogenated MIAs.

Keywords: monoterpenoid indole alkaloids, Saccharomyces cerevisiae, halogenated derivatives, fermentation

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311 Optimization of Poly-β-Hydroxybutyrate Recovery from Bacillus Subtilis Using Solvent Extraction Process by Response Surface Methodology

Authors: Jayprakash Yadav, Nivedita Patra

Abstract:

Polyhydroxybutyrate (PHB) is an interesting material in the field of medical science, pharmaceutical industries, and tissue engineering because of its properties such as biodegradability, biocompatibility, hydrophobicity, and elasticity. PHB is naturally accumulated by several microbes in their cytoplasm during the metabolic process as energy reserve material. PHB can be extracted from cell biomass using halogenated hydrocarbons, chemicals, and enzymes. In this study, a cheaper and non-toxic solvent, acetone, was used for the extraction process. The different parameters like acetone percentage, and solvent pH, process temperature, and incubation periods were optimized using the Response Surface Methodology (RSM). RSM was performed and the determination coefficient (R2) value was found to be 0.8833 from the quadratic regression model with no significant lack of fit. The designed RSM model results indicated that the fitness of the response variable was significant (P-value < 0.0006) and satisfactory to denote the relationship between the responses in terms of PHB recovery and purity with respect to the values of independent variables. Optimum conditions for the maximum PHB recovery and purity were found to be solvent pH 7, extraction temperature - 43 °C, incubation time - 70 minutes, and percentage acetone – 30 % from this study. The maximum predicted PHB recovery was found to be 0.845 g/g biomass dry cell weight and the purity was found to be 97.23 % using the optimized conditions.

Keywords: acetone, PHB, RSM, halogenated hydrocarbons, extraction, bacillus subtilis.

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310 Estimation of the Acute Toxicity of Halogenated Phenols Using Quantum Chemistry Descriptors

Authors: Khadidja Bellifa, Sidi Mohamed Mekelleche

Abstract:

Phenols and especially halogenated phenols represent a substantial part of the chemicals produced worldwide and are known as aquatic pollutants. Quantitative structure–toxicity relationship (QSTR) models are useful for understanding how chemical structure relates to the toxicity of chemicals. In the present study, the acute toxicities of 45 halogenated phenols to Tetrahymena Pyriformis are estimated using no cost semi-empirical quantum chemistry methods. QSTR models were established using the multiple linear regression technique and the predictive ability of the models was evaluated by the internal cross-validation, the Y-randomization and the external validation. Their structural chemical domain has been defined by the leverage approach. The results show that the best model is obtained with the AM1 method (R²= 0.91, R²CV= 0.90, SD= 0.20 for the training set and R²= 0.96, SD= 0.11 for the test set). Moreover, all the Tropsha’ criteria for a predictive QSTR model are verified.

Keywords: halogenated phenols, toxicity mechanism, hydrophobicity, electrophilicity index, quantitative stucture-toxicity relationships

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309 Mechanistic Analysis of an L-2-Haloacid Dehalogenase (DehL) from Rhizobium Sp. RC1: Computational Approach

Authors: Aliyu Adamu, Fahrul Huyop, Roswanira Abdul Wahab, Mohd Shahir Shamsir

Abstract:

Halogenated organic compounds occur in huge amount in biosphere. This is attributable to the diverse use of halogen-based compounds in the synthesis of various industrially important products. Halogenated compound is toxic and may persist in the environment, thereby causing serious health and environmental pollution problems. L-2-haloacid dehalogenases (EC 3.8.1.2) catalyse the specific cleavage of carbon-halogen bond in L-isomers of halogenated compounds, which consequently reverse the effects of environmental halogen-associated pollution. To enhance the efficiency and utility of these enzymes, this study investigates the catalytic amino acid residues and the molecular functional mechanism of DehL, by classical molecular dynamic simulations, MM-PBSA and ab initio fragments molecular orbital (FMO) calculations. The results of the study will serve as the basis for the molecular engineering of the enzyme.

Keywords: DehL, Functional mechanism, Catalytic residues, L-2-haloacid dehalogenase

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308 Bioremediation of PAHs-Contaminated Soil Using Land Treatment Processes

Authors: Somaye Eskandary

Abstract:

Polycyclic aromatic hydrocarbons (PAHs) are present in crude oil and its derivatives contaminate soil and also increase carcinogen and mutagen contamination, which is a concern for researchers. Land farming is one of the methods that remove pollutants from the soil by native microorganisms. It seems that this technology is cost-effective, environmentally friendly and causes less debris problem to be disposed. This study aimed to refine the polycyclic aromatic hydrocarbons from oil-contaminated soil using the land farming method. In addition to examine the concentration of polycyclic aromatic hydrocarbons by GC-FID, some characteristics such as soil microbial respiration and dehydrogenase, peroxidase, urease, acid and alkaline phosphatase enzyme concentration were also measured. The results showed that after land farming process the concentrations of some polycyclic aromatic hydrocarbons dropped to 50 percent. The results showed that the enzyme concentration is reduced by reducing the concentration of hydrocarbons and microbial respiration. These results emphasize the process of land farming for removal of polycyclic aromatic hydrocarbons from soil by indigenous microorganisms.

Keywords: soil contamination, gas chromatography, native microorganisms, soil enzymes, microbial respiration, carcinogen

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307 Bioaccumulation of Polycyclic Aromatic Hydrocarbons in Padina boryana Alga Collected from a Contaminated Site at the Red Sea, Saudi Arabia

Authors: Huda Qari, I. A. Hassan

Abstract:

The brown alga Padina boryanawas was used for bioassay of polycyclic aromatic hydrocarbons (PAHs) accumulation at the seashore of Jeddah city. PAHs were determined in the coastal water and algal tissues by GC-MS. Acenaphthene (Ace) and dibenzo (a,h) anthracene (dB(a,h)An) were the main PAHs in seawater (50.02 and 46.18) and algal tissues (64.67 and 72.45), respectively. The ratios of low molecular weight/high molecular weight hydrocarbons (1.76 – 1.44), fluoranthene/pyrene (1.57 – 1.52) and phenanthrene/anthracene (0.86 – 0.67) in seawater and algal tissues, respectively, indicated the origin of the PAHs to be mainly petrogenic. This study has demonstrated the utility of using Padina boryanawas as a biomonitor of PAH contamination and bioavailability in the coastal waters.

Keywords: polycyclic aromatic hydrocarbons, Padina boryanawas, bioaccumulation, waste water

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306 Evaluation of Hydrocarbons in Tissues of Bivalve Mollusks from the Red Sea Coast

Authors: Asma Ahmed Aljohani, Mohammed Orif

Abstract:

The concentration of polycyclic aromatic hydrocarbons (PAH) in clam (A. glabrata) was examined in samples collected from Alseef Beach, 30 km south of Jeddah city. Gas chromatography-mass spectrometry (GC-MS) was used to analyse the 14 PAHs. The concentration of total PAHs was found to range from 11.521 to 40.149 ng/gdw with a mean concentration of 21.857 ng/gdw, which is lower compared to similar studies. The lower molecular weight PAHs with three rings comprised 18.14% of the total PAH concentrations in the clams, while the high molecular weight PAHs with four rings, five rings, and six rings account for 81.86%. Diagnostic ratios for PAH source distinction suggested pyrogenic or anthropogenic sources.

Keywords: bivalves, biomonitoring, hydrocarbons, PAHs

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305 Study of Polycyclic Aromatic Hydrocarbons Biodegradation by Bacterial Isolated from Contaminated Soils

Authors: Z. Abdessemed, N. Messaâdia, M. Houhamdi

Abstract:

The PAH (Polycyclic Aromatic Hydrocarbons) represent a persistent source of pollution for oil field soils. Their degradation, essentially dominated by the aerobic bacterial and fungal flora, exhibits certain aspects for remediation of these soils microbial oxygenases have, as their substrates, a large range of PAH. The variety and the performance of these enzymes allow the initiation of the biodegradation of any PAH through many different metabolic pathways. These pathways are very important for the recycling of the PAH in the biosphere, where substances supposed indigestible by living organisms are rapidly transformed into simples compounds, directly assimilated by the intermediate metabolism of other microorganisms.

Keywords: polycyclic aromatic hydrocarbons, microbial oxygenases, biodegradation, metabolic pathways

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304 Diversity of Culturable Forms of Microorganisms in Soils with Long-term Exposure to Petroleum Hydrocarbons and Prospects for Bioremediation

Authors: Yessentayeva K. Y., Berzhanova R. Z., Mukasheva T. D.

Abstract:

The purpose of this study was to study the microbial diversity of soils with long-standing hydrocarbon pollution in the S. Balgimbayev field (Kazakhstan), where the transformation of meadow coastal soils technogenic solonchak soils, as well as the assessment of the degradation potential of microorganisms perspective for the use for bioremediation. In the present work autochthonous microorganisms of the surface horizon of soils were investigated. In samples with a low degree of pollution the number of microorganisms, was comparable to the number in the uncontaminated soil and was 103 - 104 CFU/g. and one and two orders of magnitude lower in samples with high oil content. A collection of microorganisms was created using different culture media, which made it possible to isolate isolates that play a key role in different successional stages of biodegradation of petroleum hydrocarbons. The collection included the main bacterial filiiments, Protobacteria, Firmicutes, Actinobacteria and Bacteroidetes. Mycelial fungi andyeast-like fungwere assigned to the Ascomycota division. Studies showed that the percentage of isolates capable of growth in hydrocarbons varied. More than 50 % of the isolates grew on crude oil, a low percentage of less than 10 % of the isolates grew on an anthracene, phenanthrene and naphthalene, more than 20 % of the isolates belonging to different genera Pseudomonas, Bacillus, Rhodococcus, Achromobacter, Gordonia, Microbacterium, and Trichosporon, characterized the growth on two or three different hydrocarbons. The ability to grow using all hydrocarbons, associated with the synthesis of biosurfactants, was detected only in a few isolates.

Keywords: oil, soil, number of bioremediation, biodegradation, microorganisms, hydrocarbons – oxidizing microorganisms

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303 New Off-Line SPE-GC-MS/MS Method for Determination of Mineral Oil Saturated Hydrocarbons/Mineral Oil Hydrocarbons in Animal Feed, Foods, Infant Formula and Vegetable Oils

Authors: Ovanes Chakoyan

Abstract:

MOH (mineral oil hydrocarbons), which consist of mineral oil saturated hydrocarbons(MOSH) and mineral oil aromatic hydrocarbons(MOAH), are present in various products such as vegetable oils, animal feed, foods, and infant formula. Contamination of foods with mineral oil hydrocarbons, particularly mineral oil aromatic hydrocarbons(MOAH), exhibiting carcinogenic, mutagenic, and hormone-disruptive effects. Identifying toxic substances among the many thousands comprising mineral oils in food samples is a difficult analytical challenge. A method based on an offline-solid phase extraction approach coupled with gas chromatography-triple quadrupole(GC-MS/MS) was developed for the determination of MOSH/MOAH in various products such as vegetable oils, animal feed, foods, and infant formula. A glass solid phase extraction cartridge loaded with 7 g of activated silica gel impregnated with 10 % silver nitrate for removal of olefins and lipids. The MOSH/MOAH fractions were eluated with hexane and hexane: dichloromethane : toluene, respectively. Each eluate was concentrated to 50 µl in toluene and injected on splitless mode into GC-MS/MS. Accuracy of the method was estimated as measurement of recovery of spiked oil samples at 2.0, 15.0, and 30.0 mg kg -1, and recoveries varied from 85 to 105 %. The method was applied to the different types of samples (sunflower meal, chocolate ships, santa milk chocolate, biscuits, infant milk, cornflakes, refined sunflower oil, crude sunflower oil), detecting MOSH up to 56 mg/kg and MOAH up to 5 mg/kg. The limit of quantification(LOQ) of the proposed method was estimated at 0.5 mg/kg and 0.3 mg/kg for MOSH and MOAH, respectively.

Keywords: MOSH, MOAH, GC-MS/MS, foods, solid phase extraction

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302 Establishing a Computational Screening Framework to Identify Environmental Exposures Using Untargeted Gas-Chromatography High-Resolution Mass Spectrometry

Authors: Juni C. Kim, Anna R. Robuck, Douglas I. Walker

Abstract:

The human exposome, which includes chemical exposures over the lifetime and their effects, is now recognized as an important measure for understanding human health; however, the complexity of the data makes the identification of environmental chemicals challenging. The goal of our project was to establish a computational workflow for the improved identification of environmental pollutants containing chlorine or bromine. Using the “pattern. search” function available in the R package NonTarget, we wrote a multifunctional script that searches mass spectral clusters from untargeted gas-chromatography high-resolution mass spectrometry (GC-HRMS) for the presence of spectra consistent with chlorine and bromine-containing organic compounds. The “pattern. search” function was incorporated into a different function that allows the evaluation of clusters containing multiple analyte fragments, has multi-core support, and provides a simplified output identifying listing compounds containing chlorine and/or bromine. The new function was able to process 46,000 spectral clusters in under 8 seconds and identified over 150 potential halogenated spectra. We next applied our function to a deidentified dataset from patients diagnosed with primary biliary cholangitis (PBC), primary sclerosing cholangitis (PSC), and healthy controls. Twenty-two spectra corresponded to potential halogenated compounds in the PSC and PBC dataset, including six significantly different in PBC patients, while four differed in PSC patients. We have developed an improved algorithm for detecting halogenated compounds in GC-HRMS data, providing a strategy for prioritizing exposures in the study of human disease.

Keywords: exposome, metabolome, computational metabolomics, high-resolution mass spectrometry, exposure, pollutants

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301 Removal of Per- and Polyfluoroalkyl Substances (PFASs) Contaminants from the Aqueous Phase Using Chitosan Beads

Authors: Rahim Shahrokhi, Junboum Park

Abstract:

Per- and Polyfluoroalkyl Substances (PFASs) are environmentally persistent halogenated hydrocarbons that have been widely used in many industrial and commercial applications. Recently, contaminating the soil and groundwater due to the ubiquity of PFAS in environments has raised great concern. Adsorption technology is one of the most promising methods for PFAS removal. Chitosan is a biopolymer substance with abundant amine and hydroxyl functional groups, which render it a good adsorbent. This study has tried to enhance the adsorption capacity of chitosan by grafting more amine functional groups on its surface for the removal of two long (PFOA and PFOS) and two short-chain (PFBA, PFBS) PFAS substances from the aqueous phase. A series of batch adsorption tests have been performed to evaluate the adsorption capacity of the used sorbent. Also, the sorbent was analyzed by SEM, FT-IR, zeta potential, and XRD tests. The results demonstrated that both chitosan beads have good potential for adsorbing short and long-chain PFAS from the aqueous phase.

Keywords: PFAS, chitosan beads, adsorption, grafted chitosan

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300 Study on the Treatment of Waste Water Containing Nitrogen Heterocyclic Aromatic Hydrocarbons by Phenol-Induced Microbial Communities

Authors: Zhichao Li

Abstract:

This project has treated the waste-water that contains the nitrogen heterocyclic aromatic hydrocarbons, by using the phenol-induced microbial communities. The treatment of nitrogen heterocyclic aromatic hydrocarbons is a difficult problem for coking waste-water treatment. Pyridine, quinoline and indole are three kinds of most common nitrogen heterocyclic compounds in the f, and treating these refractory organics biologically has always been a research focus. The phenol-degrading bacteria can be used in the enhanced biological treatment effectively, and has a good treatment effect. Therefore, using the phenol-induced microbial communities to treat the coking waste-water can remove multiple pollutants concurrently, and improve the treating efficiency of coking waste-water. Experiments have proved that the phenol-induced microbial communities can degrade the nitrogen heterocyclic ring aromatic hydrocarbon efficiently.

Keywords: phenol, nitrogen heterocyclic aromatic hydrocarbons, phenol-degrading bacteria, microbial communities, biological treatment technology

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299 Microbial Removal of Polycyclic Aromatic Hydrocarbons from Petroleum Refinery Sludge: A Consortial Approach

Authors: Dheepshika Kodieswaran

Abstract:

The persisting problem in the world that continuously impose our planet at risk is the increasing amounts of recalcitrant. One such issue is the disposal of the Petroleum Refinery Sludge (PRS) which constitutes hydrocarbons that are hazardous to terrestrial and aquatic life. The comparatively safe approach to handling these wastes is by microbial degradation, while the other chemical and physical methods are either expensive and/or produce secondary pollutants. The bacterial and algal systems have different pathways for the degradation of hydrocarbons, and their growth rates vary. This study shows how different bacterial and microalgal strains degrade the polyaromatic hydrocarbon PAHs individually and their symbiotic influence on degradation as well. In this system, the metabolites and gaseous exchange help each other in growth. This method using also aids in the accumulation of lipids in microalgal cells and from which bio-oils can also be extracted. The bacterial strains used in this experiment are reported to be indigenous strains isolated from PRS. The target PAH studied were anthracene and pyrene for a period of 28 days. The PAH degradation kinetics best fitted the Gompertz model, and the order of the kinetics, rate constants, and half-life was determined.

Keywords: petroleum refinery sludge, co-culturing, polycyclic hydrocarbons, microalgal-bacterial consortia

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298 Study of Hydrocarbons Metering Issues in Algerian Fields under the New Law Context

Authors: A. Hadjadj, S. Maamir

Abstract:

Since the advent of the law 86/14 concerning the
exploitation of the national territory by foreign companies in
partnership with the Algerian oil and gas company, the problem of
hydrocarbons metering in the sharing production come out.
More generally, good management counting hydrocarbons can
provide data on the production wells, the field and the reservoir for
medium and long term planning, particularly in the context of the
management and field development.
In this work, we are interested in the transactional metering which
is a very delicate and crucial period in the current context of the new
hydrocarbon’s law characterized by assets system between the
various activities of Sonatrach and its foreign partners.
After a state of the art on hydrocarbons metering devices in
Algeria and elsewhere, we will decline the advantages and
disadvantages of each system, and then we describe the problem to
try to reach an optimal solution.

Keywords: transactional metering, flowmeter orifice, heat flow, Sonatrach

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297 Use of the Gas Chromatography Method for Hydrocarbons' Quality Evaluation in the Offshore Fields of the Baltic Sea

Authors: Pavel Shcherban, Vlad Golovanov

Abstract:

Currently, there is an active geological exploration and development of the subsoil shelf of the Kaliningrad region. To carry out a comprehensive and accurate assessment of the volumes and degree of extraction of hydrocarbons from open deposits, it is necessary to establish not only a number of geological and lithological characteristics of the structures under study, but also to determine the oil quality, its viscosity, density, fractional composition as accurately as possible. In terms of considered works, gas chromatography is one of the most capacious methods that allow the rapid formation of a significant amount of initial data. The aspects of the application of the gas chromatography method for determining the chemical characteristics of the hydrocarbons of the Kaliningrad shelf fields are observed in the article, as well as the correlation-regression analysis of these parameters in comparison with the previously obtained chemical characteristics of hydrocarbon deposits located on the land of the region. In the process of research, a number of methods of mathematical statistics and computer processing of large data sets have been applied, which makes it possible to evaluate the identity of the deposits, to specify the amount of reserves and to make a number of assumptions about the genesis of the hydrocarbons under analysis.

Keywords: computer processing of large databases, correlation-regression analysis, hydrocarbon deposits, method of gas chromatography

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296 Carcinogenic Polycyclic Aromatic Hydrocarbons in Urban Air Particulate Matter

Authors: A. Szabó Nagy, J. Szabó, Zs. Csanádi, J. Erdős

Abstract:

An assessment of the air quality of Győr (Hungary) was performed by determining the ambient concentrations of PM10-bound carcinogenic polycyclic aromatic hydrocarbons (cPAHs) in different seasons. A high volume sampler was used for the collection of ambient aerosol particles, and the associated cPAH compounds (benzo[a]pyrene (BaP), benzo[a]anthracene, benzofluoranthene isomers, indeno[123-cd]pyrene and dibenzo[ah]anthracene) were analyzed by a gas chromatographic method. Higher mean concentrations of total cPAHs were detected in samples collected in winter (9.62 ng/m3) and autumn (2.69 ng/m3) compared to spring (1.05 ng/m3) and summer (0.21 ng/m3). The calculated BaP toxic equivalent concentrations have also reflected that the local population appears to be exposed to significantly higher cancer risk in the heating seasons. Moreover, the concentration levels of cPAHs determined in this study were compared to other Hungarian urban sites.

Keywords: air, carcinogenic, polycyclic aromatic hydrocarbons (PAH), PM10

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295 Recycling of Polymers in the Presence of Nanocatalysts: A Green Approach towards Sustainable Environment

Authors: Beena Sethi

Abstract:

This work involves the degradation of plastic waste in the presence of three different nanocatalysts. A thin film of LLDPE was formed with all three nanocatalysts separately in the solvent. Thermo Gravimetric Analysis (TGA) and Differential Scanning Calorimetric (DSC) analysis of polymers suggest that the presence of these catalysts lowers the degradation temperature and the change mechanism of degradation. Gas chromatographic analysis was carried out for two films. In gas chromatography (GC) analysis, it was found that degradation of pure polymer produces only 32% C3/C4 hydrocarbons and 67.6% C5/C9 hydrocarbons. In the presence of these catalysts, more than 80% of polymer by weight was converted into either liquid or gaseous hydrocarbons. Change in the mechanism of degradation of polymer was observed therefore more C3/C4 hydrocarbons along with valuable feedstock are produced. Adjustment of dose of nanocatalyst, use of nano-admixtures and recycling of catalyst can make this catalytic feedstock recycling method a good tool to get sustainable environment. The obtained products can be utilized as fuel or can be transformed into other useful products. In accordance with the principles of sustainable development, chemical recycling i.e. tertiary recycling of polymers along with the reuse (zero order recycling) of plastics can be the most appropriate and promising method in this direction. The tertiary recycling is attracting much attention from the viewpoint of the energy resource.

Keywords: degradation, differential scanning calorimetry, feedstock recycling, gas chromatography, thermogravimetric analysis

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294 Effects of the Type of Soil on the Efficiency of a Bioremediation Dispositive by Using Bacterium Hydrocarbonoclastes

Authors: Amel Bouderhem, Aminata Ould El Hadj Khelil, Amina N. Djrarbaoui, Aroussi Aroussi

Abstract:

The present work aims to find the influence of the nature of the soil on the effectiveness of the biodegradation of hydrocarbons by a mixture of bacterial strains hydrocarbonoclastes. Processes of bioaugmentation and biostimulation trial are applied to samples of soils polluted voluntarily by the crude oil. For the evaluation of the biodegradation of hydrocarbons, the bacterial load, the pH and organic carbon total are followed in the different experimental batches. He bacterial load of the sandy soil varies among the witnesses of 45,2 .108 CFU/ml at the beginning of the experimentation to 214,07.108 CFU/ml at the end of the experiment. Of the soil silty-clay varies between 103,31 .108 CFU/ml and 614,86.108 CFU/ml . It was found a strong increase in the bacterial biomass during the processing of all samples. This increase is more important in the samples of sand bioaugmente or biomass increased from 63.16 .108 CFU/ml to 309.68 .108 CFU/ml than in soil samples silty clay- bioaugmente whose content in bacteria evolved of 73,01 .108 CFU/ml to 631.80 . 108CFU/ml

Keywords: pollution, hydrocarbons, bioremediation, bacteria hydrocarbonoclastes, ground, texture

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293 Prediction of the Thermodynamic Properties of Hydrocarbons Using Gaussian Process Regression

Authors: N. Alhazmi

Abstract:

Knowing the thermodynamics properties of hydrocarbons is vital when it comes to analyzing the related chemical reaction outcomes and understanding the reaction process, especially in terms of petrochemical industrial applications, combustions, and catalytic reactions. However, measuring the thermodynamics properties experimentally is time-consuming and costly. In this paper, Gaussian process regression (GPR) has been used to directly predict the main thermodynamic properties - standard enthalpy of formation, standard entropy, and heat capacity -for more than 360 cyclic and non-cyclic alkanes, alkenes, and alkynes. A simple workflow has been proposed that can be applied to directly predict the main properties of any hydrocarbon by knowing its descriptors and chemical structure and can be generalized to predict the main properties of any material. The model was evaluated by calculating the statistical error R², which was more than 0.9794 for all the predicted properties.

Keywords: thermodynamic, Gaussian process regression, hydrocarbons, regression, supervised learning, entropy, enthalpy, heat capacity

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292 Study of Petroleum Hydrocarbons Biodegradation and the Role of Biosurfactants Produced by Bacteria Isolated from the Lagoon of Mar Chica in This Process

Authors: Ikram Kamal, Mohamed Blaghen

Abstract:

Petroleum hydrocarbons are serious problems and global pollutants in the environment due to their toxicity, carcinogenicity and persistent organic pollutant properties. One of the approaches to enhance biodegradation of petroleum hydrocarbons is to use biosurfactant. Biosurfactants are amphiphilic biomolecules produced as metabolic by-products from microorganisms they received considerable attention in the field of environmental remediation processes such as bioremediation. Biosurfactants have been considered as a desirable alternative to synthetic surfactants in various applications particularly in the environmental field. In comparison with their synthetic counterparts, biosurfactants have been reported to be less toxic, biodegradable and persistent. In this study we have investigated the potential of bacterial strains collected aseptically from the lagoon Marchika (water and soil) in Nador, Morocco; for the production of biosurfactants. This study also aimed to optimize the biosurfactant production process by changing the variables that influence the type and amount of biosurfactant produced by these microorganisms such as: carbon sources and also other physical and chemical parameters such as temperature and pH. Emulsification index, methylene blue test and thin layer chromatography (TLC) revealed the ability of strains used in this study to produce compounds that could emulsify gasoline. In addition, a HPLC/MS was used to separate and identify different biosurfactants purified.

Keywords: petroleum hydrocarbons, biosurfactants, biodegradation, lagoon marchika, emulsification index

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291 Effect of the Support Shape on Fischer-Tropsch Cobalt Catalyst Performance

Authors: Jian Huang, Weixin Qian, Hongfang Ma, Haitao Zhang, Weiyong Ying

Abstract:

Cobalt catalysts were supported on extruded silica carrier and different-type (SiO2, γ-Al2O3) commercial supports with different shapes and sizes to produce heavy hydrocarbons for Fischer-Tropsch synthesis. The catalysts were characterized by N2 physisorption and H2-TPR. The catalytic performance of the catalysts was tested in a fixed bed reactor. The results of Fischer-Tropsch synthesis performance showed that the cobalt catalyst supported on spherical silica supports displayed a higher activity and a higher selectivity to C5+ products, due to the fact that the active components were only distributed in the surface layer of spherical carrier, and the influence of gas diffusion restriction on catalytic performance was weakened. Therefore, it can be concluded that the eggshell cobalt catalyst was superior to precious metals modified catalysts in the synthesis of heavy hydrocarbons.

Keywords: fischer-tropsch synthesis, cobalt catalyst, support shape, heavy hydrocarbons

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290 Parameters of Validation Method of Determining Polycyclic Aromatic Hydrocarbons in Drinking Water by High Performance Liquid Chromatography

Authors: Jonida Canaj

Abstract:

A simple method of extraction and determination of fifteen priority polycyclic aromatic hydrocarbons (PAHs) from drinking water using high performance liquid chromatography (HPLC) has been validated with limits of detection (LOD) and limits of quantification (LOQ), method recovery and reproducibility, and other factors. HPLC parameters, such as mobile phase composition and flow standardized for determination of PAHs using fluorescent detector (FLD). PAH was carried out by liquid-liquid extraction using dichloromethane. Linearity of calibration curves was good for all PAH (R², 0.9954-1.0000) in the concentration range 0.1-100 ppb. Analysis of standard spiked water samples resulted in good recoveries between 78.5-150%(0.1ppb) and 93.04-137.47% (10ppb). The estimated LOD and LOQ ranged between 0.0018-0.98 ppb. The method described has been used for determination of the fifteen PAHs contents in drinking water samples.

Keywords: high performance liquid chromatography, HPLC, method validation, polycyclic aromatic hydrocarbons, PAHs, water

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289 Dehalogenation of Aromatic Compounds in Wastewater by Bacterial Cultures

Authors: Anne Elain, Magali Le Fellic

Abstract:

Halogenated Aromatic Compounds (HAC) are major organic pollutants that are detected in several environmental compartments as a result of their widespread use as solvents, pesticides and other industrial chemicals. The degradation of HAC simultaneously at low temperature and under saline conditions would be useful for remediation of polluted sites. Hence, microbial processes based on the metabolic activities of anaerobic bacteria are especially attractive from an economic and environmental point of view. Metabolites are generally less toxic, less likely to bioaccumulate and more susceptible for further degradation. Studies on biological reductive dehalogenation have largely been restricted to chlorinated compounds while relatively few have focussed on other HAC i.e., fluorinated, brominated or iodinated compounds. The objectives of the present work were to investigate the biodegradation of a mixture of triiodoaromatic molecules in industrial wastewater by an enriched bacterial consortium. Biodegradation of the mixture was studied during batch experiments in an anaerobic reactor. The degree of mineralization and recovery of halogen were monitored by HPLC-UV, TOC analysis and potentiometric titration. Providing ethanol as an electron donor was found to stimulate anaerobic reductive dehalogenation of HAC with a deiodination rate up to 12.4 mg.L-1 per day. Sodium chloride even at high concentration (10 mM) was found to have no influence on the degradation rates nor on the microbial viability. An analysis of the 16S rDNA (MicroSeq®) revealed that at least 6 bacteria were predominant in the enrichment, including Pseudomonas aeruginosa, Pseudomonas monteilii, Kocuria rhizophila, Ochrobacterium anthropi, Ralstonia pickettii and Rhizobium rhizogenes.

Keywords: halogenated aromatics, anaerobic biodegradation, deiodination, bacterial consortium

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288 Cracking of Tar Analogue in N₂ Carrier Gas Using Non-Thermal Plasma Dielectric Barrier Discharge Reactor

Authors: Faisal Saleem, Kui Zhang, Adam Harvey

Abstract:

The role of N₂ carrier gas towards the conversion of tar analogue was studied in a non-thermal plasma dielectric barrier discharge (DBD) reactor. The important parameters such as power (5-40W), residence time (1.41-4.23 s), concentration (20-82 g/Nm³), and temperature (Ambient-400°C) were explored. The present study demonstrated that plasma power and residence time played a key role in the decomposition of toluene, and almost complete removal of toluene was observed at 40w and 4.23 s. H₂ is obtained as a major gaseous product with a maximum selectivity of 40% along with some lighter hydrocarbons (5.5%). The removal efficiency of toluene slightly decreases with increasing the concentration of toluene from 20 g/Nm³ to 82 g/Nm³. The solid residue formation takes place inside the plasma reactor. The selectivity of LHC (lower hydrocarbons) increased up to 15% by increasing the temperature to 400°C. Introducing H₂ to the gas at elevated temperature opens up new reaction routes to raise the selectivity to lower hydrocarbons. The selectivity to methane reaches to 42% using 35% H₂ at 400°C and total selectivity of LHC increases to 57%.

Keywords: biomass gasification tar, non-thermal plasma, dielectric barrier discharge, residence time

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287 Non-Methane Hydrocarbons Emission during the Photocopying Process

Authors: Kiurski S. Jelena, Aksentijević M. Snežana, Kecić S. Vesna, Oros B. Ivana

Abstract:

The prosperity of electronic equipment in photocopying environment not only has improved work efficiency, but also has changed indoor air quality. Considering the number of photocopying employed, indoor air quality might be worse than in general office environments. Determining the contribution from any type of equipment to indoor air pollution is a complex matter. Non-methane hydrocarbons are known to have an important role of air quality due to their high reactivity. The presence of hazardous pollutants in indoor air has been detected in one photocopying shop in Novi Sad, Serbia. Air samples were collected and analyzed for five days, during 8-hr working time in three-time intervals, whereas three different sampling points were determined. Using multiple linear regression model and software package STATISTICA 10 the concentrations of occupational hazards and micro-climates parameters were mutually correlated. Based on the obtained multiple coefficients of determination (0.3751, 0.2389, and 0.1975), a weak positive correlation between the observed variables was determined. Small values of parameter F indicated that there was no statistically significant difference between the concentration levels of non-methane hydrocarbons and micro-climates parameters. The results showed that variable could be presented by the general regression model: y = b0 + b1xi1+ b2xi2. Obtained regression equations allow to measure the quantitative agreement between the variation of variables and thus obtain more accurate knowledge of their mutual relations.

Keywords: non-methane hydrocarbons, photocopying process, multiple regression analysis, indoor air quality, pollutant emission

Procedia PDF Downloads 343
286 Decarboxylation of Waste Coconut Oil and Comparison of Acid Values

Authors: Pabasara H. Gamage, Sisira K. Weliwegamage, Sameera R. Gunatilake, Hondamuni I. C De Silva, Parakrama Karunaratne

Abstract:

Green diesel is an upcoming category of biofuels, which has more practical advantages than biodiesel. Production of green diesel involves production of hydrocarbons from various fatty acid sources. Though green diesel is chemically similar to fossil fuel hydrocarbons, it is more environmentally friendly. Decarboxylation of fatty acid sources is one of green diesel production methods and is less expensive and more energy efficient compared to hydrodeoxygenation. Free fatty acids (FFA), undergo decarboxylation readily than triglycerides. Waste coconut oil, which is a rich source of FFA, can be easily decarboxylated than other oils which have lower FFA contents. These free fatty acids can be converted to hydrocarbons by decarboxylation. Experiments were conducted to carry out decarboxylation of waste coconut oil in a high pressure hastealloy reactor (Toption Goup LTD), in the presence of soda lime and mixtures of soda lime and alumina. Acid value (AV) correlates to the amount of FFA available in a sample of oil. It can be shown that with the decreasing of AV, FFAs have converted to hydrocarbons. First, waste coconut oil was reacted with soda lime alone, at 150 °C, 200 °C, and 250 °C and 1.2 MPa pressure for 2 hours. AVs of products at different temperatures were compared. AV of products decreased with increasing temperature. Thereafter, different mixtures of soda lime and alumina (100% Soda lime, 1:1 soda lime and alumina and 100% alumina) were employed at temperatures 150 °C, 200 °C, and 250 °C and 1.2 MPa pressure. The lowest AV of 2.99±0.03 was obtained when 1:1 soda lime and alumina were employed at 250 °C. It can be concluded with respect to the AV that the amount of FFA decreased when decarboxylation temperature was increased. Soda lime:alumina 1:1 mixture showed the lowest AV among the compositions studied. These findings lead to formulate a method to successfully synthesize hydrocarbons by decarboxylating waste coconut oil in the presence of soda lime and alumina (1:1) at elevated tempertaures such as 250 °C.

Keywords: acid value, free fatty acids, green diesel, high pressure reactor, waste coconut oil

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285 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties

Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

Abstract:

Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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284 Geochemical Characteristics of Aromatic Hydrocarbons in the Crude Oils from the Chepaizi Area, Junggar Basin, China

Authors: Luofu Liu, Fei Xiao Jr., Fei Xiao

Abstract:

Through the analysis technology of gas chromatography-mass spectrometry (GC-MS), the composition and distribution characteristics of aromatic hydrocarbons in the Chepaizi area of the Junggar Basin were analyzed in detail. Based on that, the biological input, maturity of crude oils and sedimentary environment of the corresponding source rocks were determined and the origin types of crude oils were divided. The results show that there are three types of crude oils in the study area including Type I, Type II and Type III oils. The crude oils from the 1st member of the Neogene Shawan Formation are the Type I oils; the crude oils from the 2nd member of the Neogene Shawan Formation are the Type II oils; the crude oils from the Cretaceous Qingshuihe and Jurassic Badaowan Formations are the Type III oils. For the Type I oils, they show a single model in the late retention time of the chromatogram of total aromatic hydrocarbons. The content of triaromatic steroid series is high, and the content of dibenzofuran is low. Maturity parameters related to alkyl naphthalene, methylphenanthrene and alkyl dibenzothiophene all indicate low maturity for the Type I oils. For the Type II oils, they have also a single model in the early retention time of the chromatogram of total aromatic hydrocarbons. The content of naphthalene and phenanthrene series is high, and the content of dibenzofuran is medium. The content of polycyclic aromatic hydrocarbon representing the terrestrial organic matter is high. The aromatic maturity parameters indicate high maturity for the Type II oils. For the Type III oils, they have a bi-model in the chromatogram of total aromatic hydrocarbons. The contents of naphthalene series, phenanthrene series, and dibenzofuran series are high. The aromatic maturity parameters indicate medium maturity for the Type III oils. The correlation results of triaromatic steroid series fingerprint show that the Type I and Type III oils have similar source and are both from the Permian Wuerhe source rocks. Because of the strong biodegradation and mixing from other source, the Type I oils are very different from the Type III oils in aromatic hydrocarbon characteristics. The Type II oils have the typical characteristics of terrestrial organic matter input under oxidative environment, and are the coal oil mainly generated by the mature Jurassic coal measure source rocks. However, the overprinting effect from the low maturity Cretaceous source rocks changed the original distribution characteristics of aromatic hydrocarbons to some degree.

Keywords: oil source, geochemistry, aromatic hydrocarbons, crude oils, chepaizi area, Junggar Basin

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283 System Engineering Design of Offshore Oil Drilling Production Platform from Marine Environment

Authors: C. Njoku Paul

Abstract:

This paper deals with systems engineering applications design for offshore oil drilling production platform in the Nigerian Marine Environment. Engineering Design model of the distribution and accumulation of petroleum hydrocarbons discharged into marine environment production platform and sources of impact of an offshore is treated.

Keywords: design of offshore oil drilling production platform, marine, environment, petroleum hydrocarbons

Procedia PDF Downloads 506