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Sample records for 2-methylbutane

  1. Volumetric Behavior of the Ternary System Benzene – 2-Methoxy-2-Methylbutane – 2,2,4-Trimethylpentane and All Binary Sub-Systems at Temperature Range (298.15 – 318.15) K

    Houšková, Hana; Morávková, Lenka; Sedláková, Zuzana; Boublík, T.; Kolská, Z.

    2013-01-01

    Roč. 337, JAN 15 (2013), s. 156-164. ISSN 0378-3812 Grant ostatní: GA ČR(CZ) GAP108/10/1106 Institutional support: RVO:67985858 Keywords : vibrating-tube densimeter * excess molar volume * Peng–Robinson equation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.241, year: 2013

  2. Quantitation and Enantiomeric Ratios of Aroma Compounds Formed by an Ehrlich Degradation of l-Isoleucine in Fermented Foods.

    Matheis, Katrin; Granvogl, Michael; Schieberle, Peter

    2016-01-27

    The conversion of parent free amino acids into alcohols by an enzymatic deamination, decarboxylation, and reduction caused by microbial enzymes was first reported more than 100 years ago and is today known as the Ehrlich pathway. Because the chiral center at the carbon bearing the methyl group in l-isoleucine should not be prone to racemization during the reaction steps, the analysis of the enantiomeric distribution in 2-methylbutanal, 2-methylbutanol, and 2-methylbutanoic acid as well as in the compounds formed by secondary reactions, such as ethyl 2-methylbutanoate and 2-methylbutyl acetate, are an appropriate measure to follow the proposed degradation mechanism in the Ehrlich reaction. On the basis of a newly developed method for quantitation and chiral analysis, the enantiomers of the five metabolites were determined in a great number of fermented foods. Whereas 2-methylbutanol occurred as pure (S)-enantiomer in nearly all samples, a ratio of almost 1:1 of (S)- and (R)-2-methylbutanal was found. These data are not in agreement with the literature suggesting the formation of 2-methylbutanol by an enzymatic reduction of 2-methylbutanal. Also, the enantiomeric distribution in 2-methylbutanoic acid was closer to that in 2-methylbutanol than to that found in 2-methylbutanal, suggesting that also the acid is probably not formed by oxidation of the aldehyde as previously proposed. Additional model studies with (S)-2-methylbutanal did not show a racemization under the conditions of food production or during workup of the sample for volatile analysis. Therefore, the results establish that different mechanisms might be responsible for the formation of aldehydes and acids from the parent amino acids in the Ehrlich pathway. PMID:26717969

  3. European Union Summary Risk Assessment Report - 2-methoxy-1-methylethyl acetate (TAME)

    2006-01-01

    This report provides a summary, with conclusions, of the environmental part of the risk assessment report of the substance 2-methoxy-2-methylbutane (TAME) that has been prepared by Finland in the context of Council Regulation (EEC) No. 793/93 on the evaluation and control of existing substances. For detailed information on the risk assessment principles and procedures followed, the underlying data and the literature references the reader is referred to the comprehensive Final Risk Assessm...

  4. Identification of Halohydrins as Potential Disinfection By-Products in Treated Drinking Water

    Karl J. Jobst

    2011-01-01

    It appears that DBP-A is 3-chloro-2-methylbutan-2-ol and that DBP-B is its bromo analogue. DBP-B has been detected in ozonated waters containing bromide. Our study also shows that these DBPs can be laboratory artefacts, generated by the reaction of residual chlorine in the sample with 2-methyl-2-butene, the stabilizer in the CH2Cl2 used for extraction. This was shown by experiments using CH2Cl2 stabilized with deuterium labelled 2-methyl-2-butene. Quenching any residual chlorine in the drinking water sample with sodium thiosulfate minimizes the formation of these artefacts.

  5. Long-Term Incubation Reveals Methanogenic Biodegradation of C5 and C6 iso-Alkanes in Oil Sands Tailings.

    Siddique, Tariq; Mohamad Shahimin, Mohd Faidz; Zamir, Saima; Semple, Kathleen; Li, Carmen; Foght, Julia M

    2015-12-15

    iso-Alkanes are major components of petroleum and have been considered recalcitrant to biodegradation under methanogenic conditions. However, indigenous microbes in oil sands tailings ponds exposed to solvents rich in 2-methylbutane, 2-methylpentane, 3-methylpentane, n-pentane, and n-hexane produce methane in situ. We incubated defined mixtures of iso- or n-alkanes with mature fine tailings from two tailings ponds of different ages historically exposed to different solvents: one, ~10 years old, receiving C5-C6 paraffins and the other, ~35 years old, receiving naphtha. A lengthy incubation (>6 years) revealed iso-alkane biodegradation after lag phases of 900-1800 and ~280 days, respectively, before the onset of methanogenesis, although lag phases were shorter with n-alkanes (~650-1675 and ~170 days, respectively). 2-Methylpentane and both n-alkanes were completely depleted during ~2400 days of incubation, whereas 2-methylbutane and 3-methylpentane were partially depleted only during active degradation of 2-methylpentane, suggesting co-metabolism. In both cases, pyrotag sequencing of 16S rRNA genes showed codominance of Peptococcaceae with acetoclastic (Methanosaeta) and hydrogenotrophic (Methanoregula and Methanolinea) methanogens. These observations are important for predicting long-term greenhouse-gas emissions from oil sands tailings ponds and extend the known range of hydrocarbons susceptible to methanogenic biodegradation in petroleum-impacted anaerobic environments. PMID:26571341

  6. New acylated flavone and cyanogenic glycosides from Linum grandiflorum

    Mohammed, Magdy M. D.; Christensen, Lars Porskjær; Ibrahim, Nabaweya A.;

    2009-01-01

    The first investigation of Linum grandiflorum resulted in the isolation of one new acylated flavone O-diglycoside known as luteolin 7-O-a-D-(6000-E-feruloyl)glucopyranosyl (1!2)--D-glucopyranoside, and one new cyanogenic glycoside known as 2-[(30-isopropoxy-O--D-glucopyranosyl)oxy]-2-methylbutane......The first investigation of Linum grandiflorum resulted in the isolation of one new acylated flavone O-diglycoside known as luteolin 7-O-a-D-(6000-E-feruloyl)glucopyranosyl (1!2)--D-glucopyranoside, and one new cyanogenic glycoside known as 2-[(30-isopropoxy-O--D-glucopyranosyl)oxy]-2......-methylbutanenitrile, together with four known flavonoid glycosides, three known cyanogenic glycosides and one alkyl glycoside. The new compounds were structurally elucidated via the extensive 1D, 2D NMR and DIFNOE together with ESI-TOFCID-MS/MS and HR-MALDI/MS....

  7. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF); Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical

    Larsen, John Christian; Nørby, Karin Kristiane; Beltoft, Vibe Meister; Lund, Pia; Binderup, Mona-Lise; Frandsen, Henrik Lauritz

    publication of the last revision of this FGE, the EFSA has been requested to evaluate 10 additional substances, which have been included in the present revision of FGE.08. For the substances methyl methanethiosulphonate [FL-no: 12.159], 2-methylbutane-2-thiol [FL-no: 12.172], 2-methylpropane-2- thiol [FL......The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to evaluate 80 flavouring substances in the Flavouring Group Evaluation 08, Revision 4, using the Procedure in Commission Regulation (EC) No 1565/2000. Since the.......112, 12.116, 12.120, 12.164, 12.167, 12.199, 15.007, 15.102 and 15.125 and 15.134], evaluated through the Procedure, no appropriate NOAEL was available and additional data are required. Besides the safety assessment of the flavouring substances, the specifications for the materials of commerce have also...

  8. Surrogate fuel formulation for light naphtha combustion in advanced combustion engines

    Ahmed, Ahfaz

    2015-03-30

    Crude oil once recovered is further separated in to several distinct fractions to produce a range of energy and chemical products. One of the less processed fractions is light naphtha (LN), hence they are more economical to produce than their gasoline and diesel counterparts. Recent efforts have demonstrated usage of LN as transportation fuel for internal combustion engines with slight modifications. In this study, a multicomponent surrogate fuel has been developed for light naphtha fuel using a multi-variable nonlinear constrained optimization scheme. The surrogate, consisting of palette species n-pentane, 2-methylhexane, 2-methylbutane, n-heptane and toluene, was validated against the LN using ignition quality tester following ASTM D6890 methodology. Comparison of LN and the surrogate fuel demonstrated satisfactory agreement.

  9. Determination of direct photolysis rate constants and OH radical reactivity of representative odour compounds in brewery broth using a continuous flow-stirred photoreactor

    Jürgens, Marion; Jacob, Fritz; Ekici, Perihan; Friess, Albrecht; Parlar, Harun

    A method based on photolysis was developed for the appropriate treatment of organic pollutants in air exhausting from breweries upon wort decoction, and thereby causing smell nuisance. A continuous flow stirred photoreactor was built-up exclusively, allowing OH radicals to react with selected odorous compounds contained in exhaust vapours, such as: 2-methylpropanal, 3-methylbutanal, 2-methylbutanal, 3-methyl-1-butanol, n-hexanal, 2-methylbutyl isobutyrate, 2-undecanone, phenyl acetaldehyde, myrcene, limonene, linalool, humulene, dimethylsulphide, and dimethyltrisulphide. These substances were quantified in brewery broth before and after UV irradiation using high-resolution gas chromatography-mass spectrometry (HRGC-MS). For odour analysis, high-resolution gas chromatography-flame ionisation detection (HRGC-FID) coupled with sensory methods was used. Determined quantum yields of about 10 -3 for phenyl acetaldehyde, myrcene, and humulene pointed out that direct photolysis contributed to their decay. Quantum yields of below 10 -4 for the other substances indicated that UV irradiation did not contribute significantly to their degradation processes. Hydroxyl radical reaction rate constants and Henry constants of organic compounds were also measured. Substances accompanied with low Henry constants converted rapidly, whereas those with higher ones, relatively slowly. Determined aroma values concluded that after UV-H 2O 2 treatment, only dimethylsulphide and myrcene remained as important odorous compounds, but in significantly reduced concentrations. The UV-H 2O 2 treatment of brewery broth has been proved effective to reduce smell-irritating substances formed upon wort decoction.

  10. Comparison of Aroma-Active Volatiles in Oolong Tea Infusions Using GC-Olfactometry, GC-FPD, and GC-MS.

    Zhu, JianCai; Chen, Feng; Wang, LingYing; Niu, YunWei; Yu, Dan; Shu, Chang; Chen, HeXing; Wang, HongLin; Xiao, ZuoBing

    2015-09-01

    The aroma profile of oolong tea infusions (Dongdingwulong, DDWL; Tieguanyin, TGY; Dahongpao, DHP) were investigated in this study. Gas chromatography-olfactometry (GC-O) with the method of aroma intensity (AI) was employed to investigate the aroma-active compounds in tea infusions. The results presented forty-three, forty-five, and forty-eight aroma-active compounds in the TGY, DHP, and DDWL infusions, including six, seven, and five sulfur compounds, respectively. In addition, the concentration of volatile compounds in the tea infusions was further quantitated by solid phase microextraction-gas chromatography (SPME)-GC-MS and SPME-GC-flame photometric detection (FPD). Totally, seventy-six and thirteen volatile and sulfur compounds were detected in three types of tea infusions, respectively. Quantitative results showed that forty-seven aroma compounds were at concentrations higher than their corresponding odor thresholds. On the basis of the odor activity values (OAVs), 2-methylpropanal (OAV: 230-455), 3-methylbutanal (1-353), 2-methylbutanal (34-68), nerolidol (108-184), (E)-2-heptenal (148-294), hexanal (134-230), octanal (28-131), β-damascenone (29-59), indole (96-138), 6-methyl-5-hepten-2-one (34-67), (R)-(-)-linalool (63-87), and dimethyl sulfide (7-1320) presented relatively higher OAVs than those of other compounds, indicating the importance of these compounds in the overall aroma of tea infusions. PMID:26257073

  11. Identification and characterization of the aroma-impact components of Thai fish sauce.

    Lapsongphon, Nawaporn; Yongsawatdigul, Jirawat; Cadwallader, Keith R

    2015-03-18

    Comprehensive analysis of the potent odorants in Thai premium fish sauce samples was accomplished by use of complementary volatile isolation methods combined with gas chromatography-olfactometry (GC-O) and GC-mass spectrometry. Odorants of intermediate and low volatility were determined by direct solvent extraction/solvent-assisted flavor evaporation (DSE-SAFE) and aroma extract dilution analysis (AEDA). Meanwhile, static headspace dilution analysis (SHDA) and headspace solid-phase microextraction (H-SPME) were used to determine the highly volatile odorants. Results of AEDA indicated the importance (log3FD factor≥6) of five acidic odorants (butanoic acid, 3-methylbutanoic acid, 4-hydroxy-2,5-dimethyl-3(2H)-furanone, 4-hydroxy-2-ethyl-5-methyl-3(2H)-furanone, and 2-phenylacetic acid) and four neutral/basic odorants (3-methylbutanal, (Z)-1,5-octadien-3-one, phenylacetaldehyde, and o-aminoacetophone). Results of SHDA indicated the predominant (log3FD factors≥5) headspace odorants were methanethiol, 2-methylpropanal, 2-methylbutanal, 3-methylbutanal, dimethyl trisulfide, 3-(methylthio)propanal, and butanoic acid. Concentrations for 21 odorants were determined by stable isotope dilution analysis (SIDA), and their odor-activity values (OAVs) were calculated. Among these, methanethiol, 2-methylpropanal, 3-methylbutanal, dimethyl trisulfide, 3-(methylthio)propanal, and butanoic acid had the highest OAVs (>500). Results of aroma recombination and omission studies revealed the importance of acids, aldehydes, and sulfur-containing compounds to the overall aroma of the Thai fish sauce. PMID:25730550

  12. The gamma-ray spectra of 5-carbon alkane isomers in the positron annihilation process

    Ma, Xiaoguang; Zhu, Yinghao; Liu, Yang

    2016-05-01

    The gamma-ray spectra of pentane (C5H12) and its two isomers, i.e., 2-Methylbutane (CH3C(CH3)HC2H5) and 2,2-Dimethylpropane (C(CH3)4) have been studied theoretically in the present work. The recent experimental gamma-ray spectra of these three molecules show that they have the same Doppler shifts, although their molecular structures are dramatically different. In order to reveal why the gamma-ray spectra of these molecules are less sensitive to the molecular structures, the one-dimensional gamma-ray spectra and spherically averaged momentum (SAM) distributions, the two-dimensional angular correlation of annihilation radiation (ACAR), and the three-dimensional momentum distributions of the positron-electron pair are studied. The one-centered momentum distributions of the electrons are found to play more important role than the multi-centered coordinate distributions. The present theoretical predictions have confirmed the experimental findings for the first time. The dominance of the inner valence electrons in the positron-electron annihilation process has also been suggested in the present work.

  13. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF); Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical

    Larsen, John Christian; Nørby, Karin Kristiane; Beltoft, Vibe Meister; Lund, Pia; Binderup, Mona-Lise; Frandsen, Henrik Lauritz

    The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to evaluate 80 flavouring substances in the Flavouring Group Evaluation 08, Revision 4, using the Procedure in Commission Regulation (EC) No 1565/2000. Since the...... publication of the last revision of this FGE, the EFSA has been requested to evaluate additional toxicological data submitted for two flavouring substances, one on supporting substance 2,5-dihydroxy-2,5-dimethyl-1,4-dithiane [FL-no: 15.006], which support the evaluation of the candidate substance 2...... present revision of FGE.08. For the substances methyl methanethiosulphonate [FL-no: 12.159], 2-methylbutane-2-thiol [FL-no: 12.172], 2-methylpropane-2-thiol [FL-no: 12.174], ethyl-2-mercapto-2-methyl propanoate [FL-no: 12.304] and 2,4,4-trimethyl-1,3-oxathiane [FL-no: 16.057] there is an indication of a...

  14. Differences in the volatile compositions of French labeled brandies (Armagnac, Calvados, Cognac, and Mirabelle) using GC-MS and PLS-DA.

    Ledauphin, Jérôme; Le Milbeau, Claude; Barillier, Daniel; Hennequin, Didier

    2010-07-14

    A total of 207 volatile compounds were identified in extracts of four French labeled brandies: Armagnac, Cognac, Calvados, and Mirabelle. Relative levels of all components were determined using GC-MS after integration of a selected peak of the mass spectrum of each. Each type of brandy could be clearly discriminated using PLS-DA statistical analyses based on these levels. French Mirabelle spirit, which was studied for the first time, was characterized by higher levels of many aldehydes and acetals and by the presence of compounds having an odd number of carbons together with benzaldehyde and some of its derivatives. Many possible derivatives of acrolein and high amounts of butan-2-ol were rather specific for the volatile composition of Calvados. The most important difference between the two wine-based samples seemed to be directly linked to the distillation system used. Many furanic compounds are specific to Cognac, whereas two or three compounds such as 1-(ethoxyethoxy)-2-methylbutane and gamma-eudesmol were specific to Armagnac. These two brandies presented rather high distributions of isobutanol and isopentanols, whereas Mirabelle and Calvados compositions offer more concentrated aliphatic linear alcohols. PMID:20527953

  15. Use of Tetragenococcus halophilus as a starter culture for flavor improvement in fish sauce fermentation.

    Udomsil, Natteewan; Rodtong, Sureelak; Choi, Yeung Joon; Hua, Yanglin; Yongsawatdigul, Jirawat

    2011-08-10

    The potential of Tetragenococcus halophilus as a starter culture for flavor improvement in fish sauce fermentation was elucidated. Four strains of T. halophilus isolated from fish sauce mashes were inoculated to anchovy mixed with 25% NaCl with an approximate cell count of 10(6) CFU/mL. The α-amino content of 6-month-old fish sauce samples inoculated with T. halophilus was 780-784 mM. The addition of T. halophilus MRC10-1-3 and T. halophilus MCD10-5-10 resulted in a reduction of histamine (P halophilus showed high contents of total amino acids with predominantly high glutamic acid. Major volatile compounds in fish sauce were 2-methylpropanal, 2-methylbutanal, 3-methylbutanal, and benzaldehyde. T. halophilus-inoculated fish sauce samples demonstrated the ability to reduce dimethyl disulfide, a compound contributing to a fecal note. The use of T. halophilus for fish sauce fermentation improves amino acid profiles and volatile compounds as well as reduces biogenic amine content of a fish sauce product. PMID:21710980

  16. On photoinduced double-proton transfer reactions: the photophysics of the 9H-imidazo[1,2-a]benzimidazole dimer

    The proton transfer in the C2h doubly H-bonded 9H-imidazo[1,2-a]benzimidazole (9HIB) dimer has been investigated. From the theoretical point of view, with the aid of density functional theory (DFT) and Moller-Plesset second-order perturbation theory: (i) the dimer formation presents at 298 K a large free energy for dimerization of ΔG0 = -8.92 kcal/mol; (ii) the double-proton transfer (DPT) tautomer of the 9HIB dimer in the ground electronic state (S0) is only slightly less stable (ΔG0 2.45 kcal/mol) than the normal tautomer dimer; and (iii) the DPT potential energy curve in S0 exhibits double minima, and a large activation energy barrier of 8.2 kcal/mol for the reverse DPT process. However, the 9HIB dimer does not undergo an excited state DPT reaction, calculated at the time-dependent DFT level and experimentally checked with fluorescence spectroscopy, owing to the unusual decrease of basicity (-16.7 kcal/mol) of the N-imidazole group upon photoexcitation. The UV-Vis spectroscopic experimental evidence (from 298 to 213 K) confirms the ease to generate the 9HIB dimer, and the card-pack aggregates of 1-methylimidazo[1,2-a]benzimidazole in 2-methylbutane and decalin

  17. Odor-Active (E -4-Methyl-3-hexenoic Acid in Roasted Coffee Generated in the Maillard Reactions of L-Isoleucine with Sugars

    Hironari Miyazato

    2013-10-01

    Full Text Available This study describes a novel odor-active unsaturated aliphatic acid in roasted Brazilian Arabica coffee. (E-4-Methyl-3-hexenoic acid -4M3H, which is responsible for a sweaty odor, was identified for the first time using Gas Chromatography-Mass Spectrometry/Olfactometry (GC-MS/O, Aroma Extract Dilution Analysis (AEDA and Multidimensional Gas Chromatography-Mass Spectrometry (MDGC-MS; its (Z -isomer was also determined. Additionally, we conducted a model formation experiment to detect the presence of 4M3H in coffee and found that it may be produced nonstereoselectively in the Maillard reactions of L-isoleucine with sugars (xylose, fructose, glucose, rhamnose and sucrose. We also found that 2-methylbutanal derived from L-isoleucine and sugar degradation compounds such as α-dicarbonyl compounds (glyoxal, 2-oxopropanal, 2, 3-butanedione and 2, 3-pentanedione and α-hydroxy ketones (1-hydroxy-2-propanone and 3-hydroxy-2-butanone are key factors in the formation of 4M3H. Based on these results, we propose a series of potential nonstereoselective formation pathways for 4M3H.

  18. Exploratory and discriminative studies of commercial processed Brazilian coffees with different degrees of roasting and decaffeinated

    Juliano Souza Ribeiro

    2013-09-01

    Full Text Available The fingerprints of the volatile compounds of 21 commercial Brazilian coffee samples submitted to different industrial processing i.e. decaffeinated or different roasting degrees (traditional and dark were studied. The volatiles were collected by headspace solid phase microextraction (HS-SPME and analyzed by GC-FID and GC-MS. The chromatographic data matrices (fingerprints obtained were explored by the principal component analysis (PCA and partial least squares - discriminative analysis (PLS-DA. Initially the chromatographic profiles were aligned by the algorithm correlation optimized warping (COW. The PCA showed the discrimination of the decaffeinated coffees from the others with both the SPME fibres used. This separation probably occurred due to the loss of some volatile precursors during the decaffeination process, such as sucrose. For both the fibres tested, PDMS/DVB and CX / PDMS SPME, the PLS-DA models correctly classified 100% of the samples according to their roasting degree: (medium and dark, the main differences being the concentrations of some of the volatile compounds such as 2-methyl furan, 2-methylbutanal, 2,3-pentanedione, pyrazine, 2-carboxyaldehyde pyrrole, furfural and 2-furanmethanol.

  19. Factors controlling volatile organic compounds in dwellings in Melbourne, Australia.

    Cheng, M; Galbally, I E; Molloy, S B; Selleck, P W; Keywood, M D; Lawson, S J; Powell, J C; Gillett, R W; Dunne, E

    2016-04-01

    This study characterized indoor volatile organic compounds (VOCs) and investigated the effects of the dwelling characteristics, building materials, occupant activities, and environmental conditions on indoor VOC concentrations in 40 dwellings located in Melbourne, Australia, in 2008 and 2009. A total of 97 VOCs were identified. Nine VOCs, n-butane, 2-methylbutane, toluene, formaldehyde, acetaldehyde, d-limonene, ethanol, 2-propanol, and acetic acid, accounted for 68% of the sum of all VOCs. The median indoor concentrations of all VOCs were greater than those measured outdoors. The occupant density was positively associated with indoor VOC concentrations via occupant activities, including respiration and combustion. Terpenes were associated with the use of household cleaning and laundry products. A petroleum-like indoor VOC signature of alkanes and aromatics was associated with the proximity of major roads. The indoor VOC concentrations were negatively correlated (P < 0.05) with ventilation. Levels of VOCs in these Australian dwellings were lower than those from previous studies in North America and Europe, probably due to a combination of an ongoing temporal decrease in indoor VOC concentrations and the leakier nature of Australian dwellings. PMID:25788118

  20. Study of the Vapor Phase Over Fusarium Fungi Cultured on Various Substrates.

    Savelieva, Elena I; Gustyleva, Liudmila K; Kessenikh, Elizaveta D; Khlebnikova, Natalya S; Leffingwell, John; Gavrilova, Olga P; Gagkaeva, Tatiana Yu

    2016-07-01

    The compositions of volatile organic compounds (VOCs) emitted by Fusarium fungi (F. langsethiae, F. sibiricum, F. poae, and F. sporotrichioides) grown on two nutritive substrates: potato sucrose agar (PSA) and autoclaved wheat kernels (WK) were investigated. The culturing of fungi and study of their VOC emissions were performed in chromatographic vials at room temperature (23 - 24 °C) and the VOCs were sampled by a solid-phase microextraction on a 85 μm carboxen/polydimethylsiloxane fiber. GC/MS was performed using a 60-m HP-5 capillary column. Components of the VOC mixture were identified by electron impact mass spectra and chromatographic retention indices (RIs). The most abundant components of the VOC mixture emitted by Fusarium fungi are EtOH, AcOH, (i) BuOH, 3-methylbutan-1-ol, 2-methylbutan-1-ol, ethyl 3-methylbutanoate, terpenes with M 136, sesquiterpenes with M 204 (a total of about 25), and trichodiene. It was found that the strains grown on PSA emit a wider spectrum and larger amount of VOCs compared with those grown on wheat kernels. F. langsethiae strain is the most active VOC producer on both substrates. The use of SPME and GC/MS also offers the potential for differentiation of fungal species and strains. PMID:27253722

  1. Characterization of the aroma signature of styrian pumpkin seed oil ( Cucurbita pepo subsp. pepo var. Styriaca) by molecular sensory science.

    Poehlmann, Susan; Schieberle, Peter

    2013-03-27

    Application of the aroma extract dilution analysis on a distillate prepared from an authentic Styrian pumpkin seed oil followed by identification experiments led to the characterization of 47 odor-active compounds in the flavor dilution (FD) factor range of 8-8192 among which 2-acetyl-1-pyrroline (roasty, popcorn-like), 2-propionyl-1-pyrroline (roasty, popcorn-like), 2-methoxy-4-vinylphenol (clove-like), and phenylacetaldehyde (honey-like) showed the highest FD factors. Among the set of key odorants, 2-propionyl-1-pyrroline and another 20 odorants were identified for the first time as constituents of pumpkin seed oil. To evaluate the aroma contribution in more detail, 31 aroma compounds showing the highest FD factors were quantitated by means of stable isotope dilution assays. On the basis of the quantitative data and odor thresholds determined in sunflower oil, odor activity values (OAV; ratio of concentration to odor threshold) were calculated, and 26 aroma compounds were found to have an OAV above 1. Among them, methanethiol (sulfury), 2-methylbutanal (malty), 3-methylbutanal (malty), and 2,3-diethyl-5-methylpyrazine (roasted potato) reached the highest OAVs. Sensory evaluation of an aroma recombinate prepared by mixing the 31 key odorants in the concentrations as determined in the oil revealed that the aroma of Styrian pumpkin seed oil could be closely mimicked. Quantitation of 11 key odorants in three commercial pumpkin seed oil revealed clear differences in the concentrations of distinct odorants, which were correlated with the overall aroma profile of the oils. PMID:23461409

  2. The use of headspace solid phase microextraction for the characterization of volatile compounds in olive oil matrices.

    Ribeiro, Laila H; Costa Freitas, Ana M; Gomes da Silva, Marco D R

    2008-10-19

    Two different fibre coatings, for solid phase microextraction (SPME) sampling, poly(dimethylsiloxane) (PDMS) and poly(acrylate) (PA), were studied in order to test, for olive oil matrixes, two mathematical models that relate the directly proportional relationship between the amount of analyte absorbed by a SPME fibre and its initial concentration in the sample matrices. Although the PA fibre was able to absorb higher amounts of compounds from the olive oil sample, the equilibrium was reached later then with the PDMS fibre. In both cases, the amount of analyte present affected the time profile or the equilibrium time in two of the concentrations studied, 0.256 microL/kg, 2.56 microL/kg and for 2-ethylfuran, pentan-3-one, pent-1-en-3-one, hexanal, trans,trans-non-2,4-dienal and in the four concentrations studied, 0.256 microL/kg, 2.56 microL/kg, 6.25 microL/kg and 400 microL/kg, for 4-methyl-pent-3-en-2-one, 2-methylbutan-1-ol, methoxybenzene, hexan-1-ol, cis-hex-3-en-1-ol, trans-hex-2-en-1-ol, 2-ethyl-hexan-1-ol and trans,trans-dec-2,4-dienal. Comparing the mathematical models of both fibres, the PA-coated fibre showed direct proportionality between the initial concentration and amount extracted, that allows the possibility of relative quantification in a non-equilibrium state in non-aqueous media. The same was not observed for the PDMS fibre. PMID:18804607

  3. Aqueous phase processing of secondary organic aerosol from isoprene photooxidation

    Liu, Y.; Monod, A.; Tritscher, T.; Praplan, A. P.; DeCarlo, P. F.; Temime-Roussel, B.; Quivet, E.; Marchand, N.; Dommen, J.; Baltensperger, U.

    2012-07-01

    Transport of reactive air masses into humid and wet areas is highly frequent in the atmosphere, making the study of aqueous phase processing of secondary organic aerosol (SOA) very relevant. We have investigated the aqueous phase processing of SOA generated from gas-phase photooxidation of isoprene using a smog chamber. The SOA collected on filters was extracted by water and subsequently oxidized in the aqueous phase either by H2O2 under dark conditions or by OH radicals in the presence of light, using a photochemical reactor. Online and offline analytical techniques including SMPS, HR-AMS, H-TDMA, TD-API-AMS, were employed for physical and chemical characterization of the chamber SOA and nebulized filter extracts. After aqueous phase processing, the particles were significantly more hygroscopic, and HR-AMS data showed higher signal intensity at m/z 44 and a lower signal intensity at m/z 43, thus showing the impact of aqueous phase processing on SOA aging, in good agreement with a few previous studies. Additional offline measurement techniques (IC-MS, APCI-MS2 and HPLC-APCI-MS) permitted the identification and quantification of sixteen individual chemical compounds before and after aqueous phase processing. Among these compounds, small organic acids (including formic, glyoxylic, glycolic, butyric, oxalic and 2,3-dihydroxymethacrylic acid (i.e. 2-methylglyceric acid)) were detected, and their concentrations significantly increased after aqueous phase processing. In particular, the aqueous phase formation of 2-methylglyceric acid and trihydroxy-3-methylbutanal was correlated with the consumption of 2,3-dihydroxy-2-methyl-propanal, and 2-methylbutane-1,2,3,4-tetrol, respectively, and an aqueous phase mechanism was proposed accordingly. Overall, the aging effect observed here was rather small compared to previous studies, and this limited effect could possibly be explained by the lower liquid phase OH concentrations employed here, and/or the development of oligomers

  4. Effect of high-dose irradiation on quality characteristics of ready-to-eat chicken breast

    Yun, Hyejeong; Haeng Lee, Kyung; Jung Lee, Hyun; Woon Lee, Ju; Uk Ahn, Dong; Jo, Cheorun

    2012-08-01

    High-dose (higher than 30 kGy) irradiation has been used to sterilize specific-purposed foods for safe and long-term storage. The objective of this study was to investigate the effect of high-dose irradiation on the quality characteristics of ready-to-eat chicken breast in comparison with those of the low-dose irradiation. Ready-to-eat chicken breast was manufactured, vacuum-packaged, and irradiated at 0, 5, and 40 kGy. The populations of total aerobic bacteria were 4.75 and 2.26 Log CFU/g in the samples irradiated at 0 and 5 kGy, respectively. However, no viable cells were detected in the samples irradiated at 40 kGy. On day 10, bacteria were not detected in the samples irradiated at 40 kGy but the number of bacteria in the samples irradiated at 5 kGy was increased. The pH at day 0 was higher in the samples irradiated at 40 kGy than those at 0 and 5 kGy. The 2-thiobarbituric acid reactive substance (TBARS) values of the samples were not significantly different on day 0. However, on day 10, the TBARS value was significantly higher in the samples irradiated at 40 kGy than those at 0 and 5 kGy. There was no difference in the sensory scores of the samples, except for off-flavor, which was stronger in samples irradiated at 5 and 40 kGy than control. However, no difference in off-flavor between the irradiated ones was observed. After 10 days of storage, only the samples irradiated at 40 kGy showed higher off-flavor score. SPME-GC-MS analysis revealed that 5 kGy of irradiation produced 2-methylbutanal and 3-methylbutanal, which were not present in the control, whereas 40 kGy of irradiation produced hexane, heptane, pentanal, dimethly disulfide, heptanal, and nonanal, which were not detected in the control or the samples irradiated at 5 kGy. However, the amount of compounds such as allyl sulfide and diallyl disulfide decreased significantly in the samples irradiated at 5 kGy and 40 kGy.

  5. Aqueous phase processing of secondary organic aerosol from isoprene photooxidation

    Y. Liu

    2012-07-01

    Full Text Available Transport of reactive air masses into humid and wet areas is highly frequent in the atmosphere, making the study of aqueous phase processing of secondary organic aerosol (SOA very relevant. We have investigated the aqueous phase processing of SOA generated from gas-phase photooxidation of isoprene using a smog chamber. The SOA collected on filters was extracted by water and subsequently oxidized in the aqueous phase either by H2O2 under dark conditions or by OH radicals in the presence of light, using a photochemical reactor. Online and offline analytical techniques including SMPS, HR-AMS, H-TDMA, TD-API-AMS, were employed for physical and chemical characterization of the chamber SOA and nebulized filter extracts. After aqueous phase processing, the particles were significantly more hygroscopic, and HR-AMS data showed higher signal intensity at m/z 44 and a lower signal intensity at m/z 43, thus showing the impact of aqueous phase processing on SOA aging, in good agreement with a few previous studies. Additional offline measurement techniques (IC-MS, APCI-MS2 and HPLC-APCI-MS permitted the identification and quantification of sixteen individual chemical compounds before and after aqueous phase processing. Among these compounds, small organic acids (including formic, glyoxylic, glycolic, butyric, oxalic and 2,3-dihydroxymethacrylic acid (i.e. 2-methylglyceric acid were detected, and their concentrations significantly increased after aqueous phase processing. In particular, the aqueous phase formation of 2-methylglyceric acid and trihydroxy-3-methylbutanal was correlated with the consumption of 2,3-dihydroxy-2-methyl-propanal, and 2-methylbutane-1,2,3,4-tetrol, respectively, and an aqueous phase mechanism was proposed accordingly. Overall, the aging effect observed here was rather small compared to previous studies, and this limited effect could possibly be explained by the lower liquid phase OH

  6. Optimisation and validation of a HS-SPME-GC-IT/MS method for analysis of carbonyl volatile compounds as biomarkers in human urine: Application in a pilot study to discriminate individuals with smoking habits.

    Calejo, Isabel; Moreira, Nathalie; Araújo, Ana Margarida; Carvalho, Márcia; Bastos, Maria de Lourdes; de Pinho, Paula Guedes

    2016-02-01

    A new and simple analytical approach consisting of an automated headspace solid-phase microextraction (HS-SPME) sampler coupled to gas chromatography-ion trap/mass spectrometry detection (GC-IT/MS) with a prior derivatization step with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA) was developed to detect volatile carbonyl metabolites with low molecular weights in human urine. A central composite design (CCD) was used to optimise the PFBHA concentration and extraction conditions that affect the efficiency of the SPME procedure. With a sample volume of 1 mL, optimal conditions were achieved by adding 300 mg/L of PFBHA and allowing the sample to equilibrate for 6 min at 62°C and then extracting the samples for 51 min at the same temperature, using a divinylbenzene/polydimethylsiloxane (DVB/PDMS) fibre. The method allowed the simultaneous identification and quantification of 44 carbonyl compounds consisting of aldehydes, dialdehydes, heterocyclic aldehydes and ketones. The method was validated with regards to the linearity, inter- and intra-day precision and accuracy. The detection limits ranged from 0.009 to 0.942 ng/mL, except for 4-hydroxy-2-nonenal (15 ng/mL), and the quantification limits varied from 0.029 to 1.66 ng/mL, except for butanal (2.78 ng/mL), 2-butanone (2.67 ng/mL), 4-heptanone (3.14 ng/mL) and 4-hydroxy-2-nonenal (50.0 ng/mL). The method accuracy was satisfactory, with recoveries ranging from 90 to 107%. The proof of applicability of the methodology was performed in a pilot target analysis of urine samples obtained from 18 healthy smokers and 18 healthy non-smokers (control group). Chemometric supervised analysis was performed using the volatile patterns acquired for these samples and clearly showed the potential of the volatile carbonyl profiles to discriminate urine from smoker and non-smoker subjects. 5-Methyl-2-furfural (p<0.0001), 2-methylpropanal, nonanal and 2-methylbutanal (p<0.05) were identified as potentially useful

  7. Effect of high-dose irradiation on quality characteristics of ready-to-eat chicken breast

    High-dose (higher than 30 kGy) irradiation has been used to sterilize specific-purposed foods for safe and long-term storage. The objective of this study was to investigate the effect of high-dose irradiation on the quality characteristics of ready-to-eat chicken breast in comparison with those of the low-dose irradiation. Ready-to-eat chicken breast was manufactured, vacuum-packaged, and irradiated at 0, 5, and 40 kGy. The populations of total aerobic bacteria were 4.75 and 2.26 Log CFU/g in the samples irradiated at 0 and 5 kGy, respectively. However, no viable cells were detected in the samples irradiated at 40 kGy. On day 10, bacteria were not detected in the samples irradiated at 40 kGy but the number of bacteria in the samples irradiated at 5 kGy was increased. The pH at day 0 was higher in the samples irradiated at 40 kGy than those at 0 and 5 kGy. The 2-thiobarbituric acid reactive substance (TBARS) values of the samples were not significantly different on day 0. However, on day 10, the TBARS value was significantly higher in the samples irradiated at 40 kGy than those at 0 and 5 kGy. There was no difference in the sensory scores of the samples, except for off-flavor, which was stronger in samples irradiated at 5 and 40 kGy than control. However, no difference in off-flavor between the irradiated ones was observed. After 10 days of storage, only the samples irradiated at 40 kGy showed higher off-flavor score. SPME-GC–MS analysis revealed that 5 kGy of irradiation produced 2-methylbutanal and 3-methylbutanal, which were not present in the control, whereas 40 kGy of irradiation produced hexane, heptane, pentanal, dimethly disulfide, heptanal, and nonanal, which were not detected in the control or the samples irradiated at 5 kGy. However, the amount of compounds such as allyl sulfide and diallyl disulfide decreased significantly in the samples irradiated at 5 kGy and 40 kGy. - Highlights: ► Comparison of high (40 kGy) and low-dose irradiation (5 kGy) on

  8. Aroma analysis and quality control of food using highly sensitive analytical methods

    ) bananas with a mastication rate of 52 min-1, whereas with a mastication rate of 26 min-1 only 15 (3) and without mastication only 3 (2) compounds were observed. Three conventional gas chromatography methods (olfactometry detection (GC-O), flame ionization detection (GC-FID) and mass spectrometry (GC-MS)) and two more recently developed direct mass spectrometry techniques (PTR-MS and atmospheric pressure chemical ionization-time-of-flight mass spectrometry (APCI-TOFMS)) were compared when analyzing of the aroma of rehydrated red bell peppers. Sixty-three volatile compounds were identified in the headspace of the bell peppers by GCMS. According to GC-O analysis, 11 compounds possessed odor activity. Consistently across all techniques, 3-methylbutanal was the most abundant odor active compound, followed by 2-methylbutanal. Compounds present at low concentrations were more affected by the methodology. Chromatography methods correlated strongly with each other (correlation coefficient ρ 0.946), whereas the direct mass spectrometry methods showed a less significant correlation (ρ = 0.613). Examining differences across all methods, it appeared that the proportions of the odor active compounds were not significantly different for GC-MS, GC-FID and PTR-MS. Significant differences were observed between APCI-TOFMS and the other techniques (level of significance P < 0.01). (author)