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Berlin Brandenburg

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  • 1
    Language: English
    In: Science (New York, N.Y.), 08 August 2014, Vol.345(6197), pp.673-6
    Description: Anaerobic microbial degradation of hydrocarbons, typically occurring at the oil-water transition zone, influences the quality of oil reservoirs. In Pitch Lake, Trinidad and Tobago--the world's largest asphalt lake--we found that microorganisms are metabolically active in minuscule water droplets (1 to 3 microliters) entrapped in oil. Pyrotag sequencing of individual droplet microbiomes revealed complex methanogenic microbial communities actively degrading the oil into a diverse range of metabolites, as shown by nuclear magnetic resonance and Fourier transform ion cyclotron resonance mass spectrometry. High salinity and water-stable isotopes of the droplets indicate a deep subsurface origin. The 13.5% water content and the large surface area of the droplets represent an underestimated potential for biodegradation of oil away from the oil-water transition zone.
    Keywords: Water Microbiology ; Archaea -- Metabolism ; Bacteria -- Metabolism ; Lakes -- Microbiology ; Microbiota -- Genetics ; Petroleum -- Metabolism
    ISSN: 00368075
    E-ISSN: 1095-9203
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  • 2
    Language: English
    In: Analytical Chemistry, August 7, 2012, Vol.84(15), p.6586(9)
    Description: A novel approach using a combination of capillary electrophoresis/mass spectrometry (CE/MS) and off-line Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) revealed the structural details of acidic constituents of atmospheric organic aerosol. Both techniques utilized electrospray ionization (ESI), a soft ionization method, to facilitate the analysis of complex mixtures of organic compounds. CE/ESI-MS using an UltraTrol LN-precoated capillary and acidic background electrolytes at different pH values (2.5 and 4.7) was used to differentiate between weak (carboxylic) and strong (sulfonic) organic acids. On the basis of the electrophoretic mobility, m/z constraints from CE/ESI(-)-MS, and elemental composition information retrieved from off-line FTICR-MS, a variety of aliphatic and aromatic carboxylic acids (CHO-bearing molecules), nitrogen-containing carboxylic acids (CHON-bearing molecules), organosulfates (CHOS-bearing molecules), and (nitrooxy)organosulfates (CHONS-bearing molecules) were tentatively identified in the Oasis-HLB-extracted urban PM2.5 (particulate matter with an aerodynamic diameter of 〈2.5 [mu]m). The chemical known/unknown structures of detected compounds were confirmed by the semiempirical Offord model (effective mobility linearly correlated to Z/[M.sup.2/3]). The majorities of the identified compounds are products of atmospheric reactions and are known contributors to secondary organic aerosols.
    Keywords: Ionization -- Analysis ; Aerosols -- Chemical Properties ; Aerosols -- Thermal Properties ; Electrophoresis -- Analysis ; Fourier Transform Infrared Spectroscopy -- Usage
    ISSN: 0003-2700
    Source: Cengage Learning, Inc.
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  • 3
    Language: English
    In: Proceedings of the National Academy of Sciences of the United States of America, 16 February 2010, Vol.107(7), pp.2763-8
    Description: Numerous descriptions of organic molecules present in the Murchison meteorite have improved our understanding of the early interstellar chemistry that operated at or just before the birth of our solar system. However, all molecular analyses were so far targeted toward selected classes of compounds with a particular emphasis on biologically active components in the context of prebiotic chemistry. Here we demonstrate that a nontargeted ultrahigh-resolution molecular analysis of the solvent-accessible organic fraction of Murchison extracted under mild conditions allows one to extend its indigenous chemical diversity to tens of thousands of different molecular compositions and likely millions of diverse structures. This molecular complexity, which provides hints on heteroatoms chronological assembly, suggests that the extraterrestrial chemodiversity is high compared to terrestrial relevant biological- and biogeochemical-driven chemical space.
    Keywords: Meteoroids ; Extraterrestrial Environment -- Chemistry ; Organic Chemicals -- Analysis
    ISSN: 00278424
    E-ISSN: 1091-6490
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  • 4
    Language: English
    In: Journal of agricultural and food chemistry, 05 June 2013, Vol.61(22), pp.5271-8
    Description: Simulated sunlight irradiation causing degradation of amidosulfuron, a pyrimidinylsulfonylurea herbicide, has been investigated in aqueous solution. The main degradation products were followed up by ultrahigh-pressure liquid chromatography with a UV detector (UHPLC-UV) and identified by combining ultrahigh-pressure liquid chromatography-mass spectrometry (UHPLC-MS) and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). On the basis of the retrosynthetic analysis, the most identified degradation products were mainly due to the losses of methylsulfamic acid (CH₅NO₃S), sulfocarbamic acid (CH₃NO₅S), carbamic acid (CH₃NO₂), methyl(methylsulfonyl)sulfamic acid (C₂H₇NO₅S₂), N-methylmethanesulfonamide (C₂H₇NO₂S), and sulfonic acid (H₂SO₄) molecules. Accordingly, O and S-demethylation as well as hydroxylation processes were also observed. Sum formulas of the main degradation products were assigned, and a mechanical pathway is proposed.
    Keywords: Photolysis ; Sunlight ; Herbicides -- Chemistry ; Pyrimidines -- Chemistry ; Sulfonylurea Compounds -- Chemistry
    ISSN: 00218561
    E-ISSN: 1520-5118
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  • 5
    Language: English
    In: Water Research, 01 June 2018, Vol.136, pp.200-206
    Description: The chemistry of hydraulic fracturing fluids and wastewaters is complex and is known to vary by operator, geologic formation, and fluid age. A time series of hydraulic fracturing fluids, flowback fluids, and produced waters was collected from two adjacent Marcellus Shale gas wells for organic chemical composition analyses using ultrahigh resolution mass spectrometry. Hierarchical clustering was used to compare and extract ions related to different fluid ages and many halogenated organic molecular ions were identified in flowback fluids and early produced waters based on exact mass. Iodinated organic compounds were the dominant halogen class in these clusters and were nearly undetectable in hydraulic fracturing fluid prior to injection. The iodinated ions increased in flowback and remained elevated after ten months of well production. We suggest that these trends are mainly driven by dissolved organic matter reacting with reactive halogen species formed abiotically through oxidizing chemical additives applied to the well and biotically via iodide-oxidizing bacteria. Understanding the implications of these identified halogenated organic compounds will require future investigation in to their structures and environmental fate.
    Keywords: High Volume Hydraulic Fracturing ; Marcellus Shale ; Flowback Fluid ; Produced Water ; Halogenated Organic Compounds ; Engineering
    ISSN: 0043-1354
    E-ISSN: 1879-2448
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  • 6
    Language: English
    In: Science of the Total Environment, 10 December 2018, Vol.644, pp.68-76
    Description: This study investigated the chemodiversity and unique signatures for dissolved organic matter (DOM) from different types of water using high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). Eight freshwater hydrophobic DOM (HPO) share 10–17% formulas that were mainly lignin-like compounds. Unique signatures were synthesized: unique to the high-humic HPO (Suwannee River and Blavet River) were condensed aromatic and some aliphatic compounds with H/C 〉 1.5 and O/C 〈 0.2, which is considered as decisive of these black river water. Medium-humic isolates (Loire River, Seine River, South Platte River, and Ribou Dam) did not show explicit unique signatures. Nonetheless, enhanced chemodiversity was observed for medium-humic isolates extracted from a variety of indigenous environmental conditions. As an example, South Platte River HPO isolated in winter showed signatures similar to low-humic HPO (Colorado River), i.e., predominantly aliphatic CHO (H/C 〉 1.0). Effluent HPO was mainly aliphatic molecules with 0.2 〈 O/C 〈 0.5 and enriched in S-bearing molecules, and molecules unique to glacial DOM (Pony Lake) incorporated N-bearing compounds that were inferiorly oxidized and were considered as microbial-derived. The weight-averaged double bond equivalent and elemental ratio derived from FTICR-MS were compared with SUVA and the results from elemental analysis. This acts as the first study to synthesize unique chemical compositions that distinguish different types of DOM and determine certain reactivity. It is also a significant reference for future studies using similar types of DOM.
    Keywords: Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry ; Dissolved Organic Matter Characterisation ; Unique Signatures ; Elemental Analysis ; Specific Ultraviolet-Visible Absorbance ; Environmental Sciences ; Biology ; Public Health
    ISSN: 0048-9697
    E-ISSN: 1879-1026
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  • 7
    Language: English
    In: Science of the Total Environment, 01 July 2016, Vol.557-558, pp.12-19
    Description: High field Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry analysis of eight snow samples from Moscow city allowed us to identify more than 2000 various elemental compositions corresponding to regional air pollutants. The hierarchical cluster analysis (HCA) of the data showed good concordance of three main groups of samples with the main wind directions. The North-West group (A1) is represented by several homologous CHOS series of aliphatic organic aerosols. They may form as a result of enhanced photochemical reactions including oxidation of hydrocarbons with sulfonations due to higher amount of SO emissions in the atmosphere in this region. Group A2, corresponding to the South-East part of Moscow, contains large amount of oxidized hydrocarbons of different sources that may form during oxidation in atmosphere. These hydrocarbons appear correlated to emissions from traffic, neighboring oil refinery, and power plants. Another family of compounds specific for this region involves CHNO substances formed during oxidation processes including NO and NO radical since emissions of NO are higher in this part of the city. Group A3 is rich in CHO type of compounds with high H/C and low O/C ratios, which is characteristic of oxidized hydrocarbon-like organic aerosol. CHNO types of compounds in A3 group are probably nitro derivatives of condensed hydrocarbons such as PAH. This non-targeted profiling revealed site specific distribution of pollutants and gives a chance to develop new strategies in air quality control and further studies of Moscow environment.
    Keywords: Snow Boards ; Moscow Region ; Ft-Icr-MS ; Hca ; Molecular Compositions ; Air Pollution ; Environmental Sciences ; Biology ; Public Health
    ISSN: 0048-9697
    E-ISSN: 1879-1026
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  • 8
    Language: English
    In: Analytical chemistry, 07 August 2012, Vol.84(15), pp.6586-94
    Description: A novel approach using a combination of capillary electrophoresis/mass spectrometry (CE/MS) and off-line Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) revealed the structural details of acidic constituents of atmospheric organic aerosol. Both techniques utilized electrospray ionization (ESI), a soft ionization method, to facilitate the analysis of complex mixtures of organic compounds. CE/ESI-MS using an UltraTrol LN-precoated capillary and acidic background electrolytes at different pH values (2.5 and 4.7) was used to differentiate between weak (carboxylic) and strong (sulfonic) organic acids. On the basis of the electrophoretic mobility, m/z constraints from CE/ESI(-)-MS, and elemental composition information retrieved from off-line FTICR-MS, a variety of aliphatic and aromatic carboxylic acids (CHO-bearing molecules), nitrogen-containing carboxylic acids (CHON-bearing molecules), organosulfates (CHOS-bearing molecules), and (nitrooxy)organosulfates (CHONS-bearing molecules) were tentatively identified in the Oasis-HLB-extracted urban PM(2.5) (particulate matter with an aerodynamic diameter of 〈2.5 μm). The chemical known/unknown structures of detected compounds were confirmed by the semiempirical Offord model (effective mobility linearly correlated to Z/M(2/3)). The majorities of the identified compounds are products of atmospheric reactions and are known contributors to secondary organic aerosols.
    Keywords: Electrophoresis, Capillary ; Mass Spectrometry ; Aerosols -- Chemistry ; Carboxylic Acids -- Analysis ; Sulfonic Acids -- Analysis
    ISSN: 00032700
    E-ISSN: 1520-6882
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  • 9
    Language: English
    In: Analytical Chemistry, Oct 6, 2015, Vol.87(19), p.9563(4)
    Description: The article describes the molecular formula assignments comprising exactly five nitrogen and two sulfur atoms in dissolved organic matter (DOM) data sets: the molecular class CHO[N.sub.5][S.sub.2] using using high-field Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). It is found that the presence of such components in DOM under tripeptide Met-His-Cys formed with the formula [C.sub.14][H.sub.23][O.sub.4][N.sub.5][S.sub.2] cannot be excluded, however, components containing 5 N and 2 S should not be assumed to be highly abundant.
    Keywords: Fourier Transforms – Usage ; Mass Spectrometry – Analysis ; Peptides – Chemical Properties
    ISSN: 0003-2700
    Source: Cengage Learning, Inc.
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  • 10
    Language: English
    In: Analytical chemistry, 06 October 2015, Vol.87(19), pp.9563-6
    Description: The analysis of dissolved organic matter (DOM) using high-field Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) poses challenges in molecular formula assignment. The consideration of (13)C isotopes provides new insights into the consistent elemental formula solutions. Modern software helps to overcome misinterpretation, but false assignments of molecular classes to mass peaks have rarely been elucidated until now. It will be demonstrated that this can be important with formula assignments comprising exactly five nitrogen and two sulfur atoms in DOM data sets: the molecular class CHON5S2. The existence of such components in DOM under tripeptide Met-His-Cys formed with the formula C14H23O4N5S2 cannot be excluded; however, components containing 5 N and 2 S should be suspected to not be highly abundant. The true elemental compositions of such unusual "N5S2 moieties" were calculated using Suwannee River fulvic acid (SRFA) data from the literature and one data set from acidic pit lake pore water. The replacement of a H3N5S2 moiety with a (13)C1(12)C5O4 moiety explained more than 95% of the questionable "N5S2 moieties". This finding was proved by calculation of δ(13)C‰ values from relative peak intensities.
    Keywords: Software ; Computer Programs ; Lakes ; Fourier Transforms ; Data Sets ; Dissolved Organic Matter ; Porosity ; Mathematical Analysis ; Analysis (MD) ; Chemical Analysis (Ep) ; Chemical Analysis (Ed) ; Chemical Analysis (EC);
    ISSN: 00032700
    E-ISSN: 1520-6882
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