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Sample records for 1-pentanol 2-pentanol 3-pentanol

  1. Gaseous 3-pentanol primes plant immunity against a bacterial speck pathogen, Pseudomonas syringae pv. tomato via salicylic acid and jasmonic acid-dependent signaling pathways in Arabidopsis

    PubMed Central

    Song, Geun C.; Choi, Hye K.; Ryu, Choong-Min

    2015-01-01

    3-Pentanol is an active organic compound produced by plants and is a component of emitted insect sex pheromones. A previous study reported that drench application of 3-pentanol elicited plant immunity against microbial pathogens and an insect pest in crop plants. Here, we evaluated whether 3-pentanol and the derivatives 1-pentanol and 2-pentanol induced plant systemic resistance using the in vitro I-plate system. Exposure of Arabidopsis seedlings to 10 μM and 100 nM 3-pentanol evaporate elicited an immune response to Pseudomonas syringae pv. tomato DC3000. We performed quantitative real-time PCR to investigate the 3-pentanol-mediated Arabidopsis immune responses by determining Pathogenesis-Related (PR) gene expression levels associated with defense signaling through salicylic acid (SA), jasmonic acid (JA), and ethylene signaling pathways. The results show that exposure to 3-pentanol and subsequent pathogen challenge upregulated PDF1.2 and PR1 expression. Selected Arabidopsis mutants confirmed that the 3-pentanol-mediated immune response involved SA and JA signaling pathways and the NPR1 gene. Taken together, this study indicates that gaseous 3-pentanol triggers induced resistance in Arabidopsis by priming SA and JA signaling pathways. To our knowledge, this is the first report that a volatile compound of an insect sex pheromone triggers plant systemic resistance against a bacterial pathogen. PMID:26500665

  2. Fragrance material review on 1-phenyl-3-methyl-3-pentanol.

    PubMed

    Scognamiglio, J; Jones, L; Letizia, C S; Api, A M

    2012-09-01

    A toxicologic and dermatologic review of 1-phenyl-3-methyl-3-pentanol when used as a fragrance ingredient is presented. 1-Phenyl-3-methyl-3-pentanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a tertiary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 1-phenyl-3-methyl-3-pentanol were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, mucous membrane (eye) irritation, skin sensitization, and genotoxicity data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances.

  3. Fragrance material review on 3-methyl-1-pentanol.

    PubMed

    McGinty, D; Scognamiglio, J; Letizia, C S; Api, A M

    2010-07-01

    A toxicologic and dermatologic review of 3-methyl-1-pentanol when used as a fragrance ingredient is presented. 3-Methyl-1-pentanol is a member of the fragrance structural group branched chain saturated alcohols. The common characteristic structural elements of the alcohols with saturated branched chain are one hydroxyl group per molecule, and a C(4) to C(12) carbon chain with one or several methyl side chains. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. A safety assessment of the entire branched chain saturated alcohol group will be published simultaneously with this document; please refer to Belsito et al. (2010) for an overall assessment of the safe use of this material and all other branched chain saturated alcohols in fragrances.

  4. Fragrance material review on 4-methyl-2-pentanol.

    PubMed

    McGinty, D; Scognamiglio, J; Letizia, C S; Api, A M

    2010-07-01

    A toxicologic and dermatologic review of 4-methyl-2-pentanol when used as a fragrance ingredient is presented. 4-Methyl-2-pentanol is a member of the fragrance structural group branched chain saturated alcohols. The common characteristic structural elements of the alcohols with saturated branched chain are one hydroxyl group per molecule, and a C(4)-C(12) carbon chain with one or several methyl side chains. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. A safety assessment of the entire branched chain saturated alcohol group will be published simultaneously with this document; please refer to Belsito et al. (2010) for an overall assessment of the safe use of this material and all other branched chain saturated alcohols in fragrances.

  5. Field evaluation of the bacterial volatile derivative 3-pentanol in priming for induced resistance in pepper.

    PubMed

    Choi, Hye Kyung; Song, Geun Cheol; Yi, Hwe-Su; Ryu, Choong-Min

    2014-08-01

    Plants are defended from attack by emission of volatile organic compounds (VOCs) that can act directly against pathogens and herbivores or indirectly by recruiting natural enemies of herbivores. However, microbial VOC have been less investigated as potential triggers of plant systemic defense responses against pathogens in the field. Bacillus amyloliquefaciens strain IN937a, a plant growth-promoting rhizobacterium that colonizes plant tissues, stimulates induced systemic resistance (ISR) via its emission of VOCs. We investigated the ISR capacity of VOCs and derivatives collected from strain IN937a against bacterial spot disease caused by Xanthomonas axonopodis pv. vesicatoria in pepper. Of 15 bacterial VOCs and their derivatives, 3-pentanol, which is a C8 amyl alcohol reported to be a component of sex pheromones in insects, was selected for further investigation. Pathogens were infiltrated into pepper leaves 10, 20, 30, and 40 days after treatment and transplantation to the field. Disease severity was assessed 7 days after transplantation. Treatment with 3-pentanol significantly reduced disease severity caused by X. axonopodis and naturally occurring Cucumber mosaic virus in field trials over 2 years. We used quantitative real-time polymerase chain analysis to examine Pathogenesis-Related genes associated with salicylic acid (SA), jasmonic acid (JA), and ethylene defense signaling. The expression of Capsicum annuum Pathogenesis-Related protein 1 (CaPR1), CaPR2, and Ca protease inhibitor2 (CaPIN2) increased in field-grown pepper plants treated with 3-pentanol. Taken together, our results show that 3-pentanol triggers induced resistance by priming SA and JA signaling in pepper under field conditions.

  6. Field evaluation of the bacterial volatile derivative 3-pentanol in priming for induced resistance in pepper.

    PubMed

    Choi, Hye Kyung; Song, Geun Cheol; Yi, Hwe-Su; Ryu, Choong-Min

    2014-08-01

    Plants are defended from attack by emission of volatile organic compounds (VOCs) that can act directly against pathogens and herbivores or indirectly by recruiting natural enemies of herbivores. However, microbial VOC have been less investigated as potential triggers of plant systemic defense responses against pathogens in the field. Bacillus amyloliquefaciens strain IN937a, a plant growth-promoting rhizobacterium that colonizes plant tissues, stimulates induced systemic resistance (ISR) via its emission of VOCs. We investigated the ISR capacity of VOCs and derivatives collected from strain IN937a against bacterial spot disease caused by Xanthomonas axonopodis pv. vesicatoria in pepper. Of 15 bacterial VOCs and their derivatives, 3-pentanol, which is a C8 amyl alcohol reported to be a component of sex pheromones in insects, was selected for further investigation. Pathogens were infiltrated into pepper leaves 10, 20, 30, and 40 days after treatment and transplantation to the field. Disease severity was assessed 7 days after transplantation. Treatment with 3-pentanol significantly reduced disease severity caused by X. axonopodis and naturally occurring Cucumber mosaic virus in field trials over 2 years. We used quantitative real-time polymerase chain analysis to examine Pathogenesis-Related genes associated with salicylic acid (SA), jasmonic acid (JA), and ethylene defense signaling. The expression of Capsicum annuum Pathogenesis-Related protein 1 (CaPR1), CaPR2, and Ca protease inhibitor2 (CaPIN2) increased in field-grown pepper plants treated with 3-pentanol. Taken together, our results show that 3-pentanol triggers induced resistance by priming SA and JA signaling in pepper under field conditions. PMID:25149655

  7. Atmospheric chemistry of 3-pentanol: kinetics, mechanisms, and products of Cl atom and OH radical initiated oxidation in the presence and absence of NOX.

    PubMed

    Hurley, M D; Wallington, T J; Bjarrum, M; Javadi, M S; Nielsen, O J

    2008-09-01

    Smog chamber/FTIR techniques were used to study the atmospheric chemistry of 3-pentanol and determine rate constants of k(Cl+3-pentanol) = (2.03 +/- 0.23) x 10 (-10) and k(OH+3-pentanol) = (1.32 +/- 0.15) x 10 (-11) cm (3) molecule (-1) s (-1) in 700 Torr of N 2/O 2 diluent at 296 +/- 2 K. The primary products of the Cl atom initiated oxidation of 3-pentanol in the absence of NO were (with molar yields) 3-pentanone (26 +/- 2%), propionaldehyde (12 +/- 2%), acetaldehyde (13 +/- 2%) and formaldehyde (2 +/- 1%). The primary products of the Cl atom initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (51 +/- 4%), propionaldehyde (39 +/- 2%), acetaldehyde (44 +/- 4%) and formaldehyde (4 +/- 1%). The primary products of the OH radical initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (58 +/- 3%), propionaldehyde (28 +/- 2%), and acetaldehyde (37 +/- 2%). In all cases the product yields were independent of oxygen concentration over the partial pressure range 10-700 Torr. The reactions of Cl atoms and OH radicals with 3-pentanol proceed 26 +/- 2 and 58 +/- 3%, respectively, via attack on the 3-position to give an alpha-hydroxyalkyl radical, which reacts with O 2 to give 3-pentanone. The results are discussed with respect to the literature data and atmospheric chemistry of 3-pentanol.

  8. Thermal decomposition of 1-pentanol and its isomers: a theoretical study.

    PubMed

    Zhao, Long; Ye, Lili; Zhang, Feng; Zhang, Lidong

    2012-09-20

    Pentanol is one of the promising "next generation" alcohol fuels with high energy density and low hygroscopicity. In the present work, dominant reaction channels of thermal decomposition of three isomers of pentanol: 1-pentanol, 2-methyl-1-butanol, and 3-methyl-1-butanol were investigated by CBS-QB3 calculations. Subsequently, the temperature- and pressure-dependent rate constants for these channels were computed by RRKM/master equation simulations. The difference between the thermal decomposition behavior of pentanol and butanol were discussed, while butanol as another potential alternative alcohol fuel has been extensively studied both experimentally and theoretically. Rate constants of barrierless bond dissociation reactions of pentanol isomers were treated by the variational transition state theory. The comparison between various channels revealed that the entropies of variational transition states significantly impact the rate constants of pentanol decomposition reactions. This work provides sound quality kinetic data for major decomposition channels of three pentanol isomers in the temperature range of 800-2000 K with pressure varying from 7.6 to 7.6 × 10(4) Torr, which might be valuable for developing detailed kinetic models for pentanol combustion.

  9. Molecular interactions in binary mixtures of methyl formate with 1-butanol, 1-pentanol, and 1-hexanol by using ultrasonic data at 303 K

    NASA Astrophysics Data System (ADS)

    Elangovan, S.; Mullainathan, S.

    2016-05-01

    Density (ρ), viscosity (η), and ultrasonic velocity ( U) have been measured for binary mixtures of methyl formate with 1-butanol, 1-pentanol and 1-hexanol at 303 K. From the experimental results, adiabatic compressibility (β), acoustic impedance ( Z), viscous relaxation time (τ), free length ( L f), free volume ( V f), internal pressure (πi), and Gibbs free energy (Δ G) have been determined. Excess values of various parameters have also been calculated and interoperated in terms of molecular interactions. The deviations in the parameters show that strength of intermolecular interactions between methyl formate with selected 1-alcohols have been observed in the order of 1-butanol < 1-pentanol < 1-hexanol.

  10. Solubility of lovastatin in a family of six alcohols: Ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, and 1-octanol.

    PubMed

    Nti-Gyabaah, J; Chmielowski, R; Chan, V; Chiew, Y C

    2008-07-01

    Accurate experimental determination of solubility of active pharmaceutical ingredients (APIs) in solvents and its correlation, for solubility prediction, is essential for rapid design and optimization of isolation, purification, and formulation processes in the pharmaceutical industry. An efficient material-conserving analytical method, with in-line reversed HPLC separation protocol, has been developed to measure equilibrium solubility of lovastatin in ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, and 1-octanol between 279 and 313K. Fusion enthalpy DeltaH(fus), melting point temperature, Tm, and the differential molar heat capacity, DeltaC(P), were determined by differential scanning calorimetry (DSC) to be 43,136J/mol, 445.5K, and 255J/(molK), respectively. In order to use the regular solution equation, simplified assumptions have been made concerning DeltaC(P), specifically, DeltaC(P)=0, or DeltaC(P)=DeltaS. In this study, we examined the extent to which these assumptions influence the magnitude of the ideal solubility of lovastatin, and determined that both assumptions underestimate the ideal solubility of lovastatin. The solubility data was used with the calculated ideal solubility to obtain activity coefficients, which were then fitted to the van't Hoff-like regular solution equation. Examination of the plots indicated that both assumptions give erroneous excess enthalpy of solution, H(infinity), and hence thermodynamically inconsistent activity coefficients. The order of increasing ideality, or solubility of lovastatin was butanol>1-propanol>1-pentanol>1-hexanol>1-octanol.

  11. Dilution method study on the interfacial composition, thermodynamic properties and structural parameters of W/O microemulsions stabilized by 1-pentanol and surfactants in absence and presence of sodium chloride.

    PubMed

    Paul, Bidyut K; Nandy, Debdurlav

    2007-12-15

    The phase behaviors, interfacial composition, thermodynamic properties and structural characteristics of water-in-oil microemulsions under varied molar ratio of water to surfactant (omega) at 303 K and also by varying temperatures at a fixed omega(=40) by mixing with 1-pentanol and decane or dodecane in absence and presence of sodium chloride have been studied by the method of dilution. The surfactants used were cetyl pyridinium chloride (CPC), sodium dodecyl sulfate (SDS) and polyoxyethylene (23) lauryl ether (Brij-35). The compositions of 1-pentanol and the surfactant at the interfacial region, the distribution of 1-pentanol between the interfacial region and the continuous oil phase, and the effective packing parameter (P(eff)) at the threshold level of stability have been estimated. The thermodynamics of transfer of 1-pentanol from the continuous oil phase to the interface have been evaluated. The structural parameters viz. radii of the droplet (R(e)) and the waterpool (R(w)), effective thickness of the interfacial layer (d(I)), average aggregation numbers of surfactants (N (s)) and the cosurfactant (1-pentanol) (N (a)) and the number of droplets (N(d)) have also been estimated. The prospect of using these w/o microemulsions for the synthesis of nanoparticles with small size, have been discussed in the light of the radii of the droplet, and waterpool, the extent of variation of effective thickness of the droplet under varied molar ratio of water to surfactant and temperature. An attempt has been made to rationalize the results in a comprehensive manner.

  12. Preparation of zeolite supported TiO2, ZnO and ZrO2 and the study on their catalytic activity in NOx reduction and 1-pentanol dehydration

    NASA Astrophysics Data System (ADS)

    Fatimah, Is

    2016-03-01

    Preparation of zeolite supported TiO2, ZnO and ZrO2 and their catalytic activity was studied. Activated natural zeolite from Indonesia was utilized for the preparation and catalytic activity test on NOx reduction by NH3 and also 1-pentanol dehydration were examined. Physicochemical characterization of materials was studied by x-ray diffraction (XRD) measurement, scanning electron microscope, solid acidity determination and also gas sorption analysis. The results confirmed that the preparation gives some improvements on physicochemical characters suitable for catalysis mechanism in those reactions. Solid acidity and specific surface area contributed significantly to the activity.

  13. Composition and Process for Retarding the Premature Aging of PMR Monomer Solutions and PMR Prepegs

    NASA Technical Reports Server (NTRS)

    Alston, William B. (Inventor); Gahn, Gloria S. (Inventor)

    2000-01-01

    Polyimides are derived from solutions of at least one low-boiling organic solvent, e.g. isopropanol containing a mixture of polyimide-forming monomers. The monomeric solutions have an extended shelf life at ambient (room) temperatures as high as 80 C, and consist essentially of a mixture of monoalkyl ester-acids, alkyl diester-diacids and aromatic polyamines wherein the alkyl radicals of the esteracids are derived from lower molecular weight aliphatic secondary alcohols having 3 to 5 carbon atoms per molecule such as isopropanol, secondary butanol, 2-methyl-3-butanol, 2 pentanol or 3-pentanol. The solutions of the polyimide-forming monomers have a substantially improved shelf-life and are particularly useful in the aerospace and aeronautical industry for the preparation of polyimide reinforced fiber composites such as the polyimide cured carbon composites used in jet engines, missiles, and for other high temperature applications.

  14. Comparative study of boson peak in normal and secondary alcohols with terahertz time-domain spectroscopy

    NASA Astrophysics Data System (ADS)

    Yomogida, Yoshiki; Sato, Yuki; Nozaki, Ryusuke; Mishina, Tomobumi; Nakahara, Jun'ichiro

    2010-05-01

    Using terahertz (THz) time-domain spectroscopy, we measured the complex permittivity of some normal (1-propanol, 1-butanol, and 1-pentanol) and secondary alcohols (2-propanol, 2-butanol, and 2-pentanol) in the frequency ranges from 0.2 to 2.5 THz at temperatures from 253 to 323 K. For all the samples, the complex permittivity in the THz region includes the following three components: (i) a high frequency side of dielectric relaxation processes, (ii) a broad mode around 1 THz, and (iii) a low frequency side of an intermolecular vibration mode located above 2.5 THz. The mode around 1 THz is recognized as a boson peak which is related to the local structure of disordered materials. The intensity of the boson peak in secondary alcohols is higher than that in normal alcohols. On the other hand, the number of carbon atoms slightly affects the appearance of the boson peak. These observations indicate that the position of an OH group in a molecule has a profound effect on the local structures in monohydric alcohols.

  15. An investigation of bubble coalescence and post-rupture oscillation in non-ionic surfactant solutions using high-speed cinematography.

    PubMed

    Bournival, G; Ata, S; Karakashev, S I; Jameson, G J

    2014-01-15

    Most processes involving bubbling in a liquid require small bubbles to maximise mass/energy transfer. A common method to prevent bubbles from coalescing is by the addition of surfactants. In order to get an insight into the coalescence process, capillary bubbles were observed using a high speed cinematography. Experiments were performed in solutions of 1-pentanol, 4-methyl-2-pentanol, tri(propylene glycol) methyl ether, and poly(propylene glycol) for which information such as the coalescence time and the deformation of the resultant bubble upon coalescence was extracted. It is shown in this study that the coalescence time increases with surfactant concentration until the appearance of a plateau. The increase in coalescence time with surfactant concentration could not be attributed only to surface elasticity. The oscillation of the resultant bubble was characterised by the damping of the oscillation. The results suggested that a minimum elasticity is required to achieve an increased damping and considerable diffusion has a detrimental effect on the dynamic response of the bubble, thereby reducing the damping. PMID:24231084

  16. [Metabolism and toxicity of n-pentane and isopentane].

    PubMed

    Chiba, S; Oshida, S

    1991-04-01

    n-Pentane and isopentane have a wide range of use, for example, for cleaning precision machinery, extracting essence and oil, and as liquid fuel for now very popular disposable lighters. They are contained in liquefied petroleum gas and natural gas as trace constituents. In our present experiments, we studied the metabolism and toxicity of these n-pentane and isopentane metabolites. Male mice of ICR strain were exposed to about 5% n-pentane for one hour while the oxygen in the environmental air was maintained at about 20%. Then their blood and liver tissue were collected and analyzed by means of GC and GC-MS. The metabolites thus obtained were 2-pentanol, 3-pentanol and 2-pentanone. The same procedure was repeated with isopentane; 3-methyl-2-butanol, 2-methyl-2-butanol and 3-methyl-2-butanone were detected as the resultant metabolites. In the presence of the NADPH-generating system liver microsomes were made to react to the substrate of saturated n-pentane or isopentane aqueous solution at 37 degrees C for one hour. As a result, the same metabolites were produced as obtained in the exposure experiment. It was therefore suggested that n-pentane and isopentane were metabolized chiefly by liver microsomes. Male mice of ICR strain were fed with 80 mg/kg b.w. of phenobarbital for consecutive four days and exposed to n-pentane or isopentane for one hour. This resulted in an increase in the amount of 2-pentanol and 2-pentanone in the n-pentane inhalation and 2-methyl-2-butanol in the isopentane inhalation experiment. The toxicity of each metabolite was studied on cultured cells. The metabolites were individually mixed with HeLa S3 cell suspension, incubated for three days, and their concentration which inhibited the growth of cells by 50% (IGC 50) were compared. It was demonstrated as a result that the IGC 50 for any of the metabolites was lower than that for methanol, ethanol or acetone used as control. PMID:1920919

  17. Relative contribution of oxygenated hydrocarbons to the total biogenic VOC emissions of selected mid-European agricultural and natural plant species

    NASA Astrophysics Data System (ADS)

    König, Georg; Brunda, Monika; Puxbaum, Hans; Hewitt, C. Nicholas; Duckham, S. Craig; Rudolph, Jochen

    Emission rates of more than 50 individual VOCs were determined for eight plant species and three different types of grass land typical for natural deciduous and agricultural vegetation in Austria. In addition to the emissions of isoprene and monoterpenes, 33 biogenic oxygenated volatile organic compounds (BOVOCs) were detected. Of these, 2-methyl-l-propanol, 1-butanal, 2-butanal, 1-pentanol, 3-pentanol, 1-hexanol, 6-methyl-5-hepten-2-one, butanal and ethylhexylacetate were observed for the first time as plant emissions. In terms of prevalence of one of the groups of emitted VOCs (isoprene, terpenes, BOVOCs) the grain plants wheat and rye, grape, oilseed rape and the decidous trees hombeam and birch could be classified as "BOVOC"-emitters. For the grass plots examined, BOVOCs and terpenes appear to be of equal importance. The emission rates of the total assigned organic plant emissions ranged from 0.01 μ g -1 h -1 for wheat to 0.8 μg g -1 h -1 for oak (based on dry leaf weight). Intercomparison with available data from other studies show that our emission rates are rather at the lower end of reported ranges. The influence of the stage of growth was examined for rye, rape (comparing emissions of blossoming and nonblossoming plants) and for grape (with and without fruit). Emission rate differences for different stages of growth varied from nondetectable for blossoming and nonblossoming rye to a factor of six for the grape with fruits vs grape without fruits (emission rate based on dry leaf weight). The major decidous tree in Austria (beech) is a terpene emitter, with the contribution of BOVOCs below 5% of the total assigned emissions of 0.2 μg g -1 h -1 for the investigations of 20°C.

  18. Characteristics of chemical binding to alpha 2u-globulin in vitro--evaluating structure-activity relationships

    SciTech Connect

    Borghoff, S.J.; Miller, A.B.; Bowen, J.P.; Swenberg, J.A. )

    1991-02-01

    alpha 2u-Globulin (alpha 2u) has been shown to accumulate in the kidneys of male rats treated with 2,2,4-trimethylpentane (TMP). 2,4,4-Trimethyl-2-pentanol (TMP-2-OH), a metabolite of TMP, is found reversibly bound to alpha 2u isolated from the kidneys of these treated rats. The objectives of the following study were to characterize the ability of (3H)TMP-2-OH to bind to alpha 2u in vitro and to determine whether other compounds that cause this protein to accumulate have the same binding characteristics. Although compounds that have been shown to cause the accumulation of alpha 2u in male rat kidneys compete in vitro with (3H)TMP-2-OH for binding to alpha 2u, they do so to varying degrees. The binding affinity (Kd) of the (3H)TMP-2-OH-alpha 2u complex was calculated to be on the order of 10(-7) M. The inhibition constant values (Ki) determined for d-limonene, 1,4-dichlorobenzene, and 2,5-dichlorophenol were all in the range 10(-4) M, whereas the Ki values for isophorone, 2,4,4- or 2,2,4-trimethyl-1-pentanol, and d-limonene oxide were determined to be in the range 10(-6) and 10(-7) M, respectively. TMP and 2,4,4- and 2,2,4-trimethylpentanoic acid did not compete for binding. This suggests that other factors, besides binding, are involved in the accumulation of alpha 2u. In this study the ability of a chemical to bind to alpha 2u was used as a measure of biological activity to assess structure-activity relationships among the chemicals tested and known to cause the accumulation of alpha 2u. The results so far suggest that binding is dependent on both hydrophobic interactions and hydrogen bonding.

  19. Substrate specificity and stereoselectivity of horse liver alcohol dehydrogenase. Kinetic evaluation of binding and activation parameters controlling the catalytic cycles of unbranched, acyclic secondary alcohols and ketones as substrates of the native and active-site-specific Co(II)-substituted enzyme.

    PubMed

    Adolph, H W; Maurer, P; Schneider-Bernlöhr, H; Sartorius, C; Zeppezauer, M

    1991-11-01

    1. The steady-state parameters kcat and Km and the rate constants of hydride transfer for the substrates isopropanol/acetone; (S)-2-butanol, (R)-2-butanol/2-butanone; (S)-2-pentanol, (R)-2-pentanol/2-pentanone; 3-pentanol/3-pentanone; (S)-2-octanol and (R)-2-octanol have been determined for the native Zn(II)-containing horse-liver alcohol dehydrogenase (LADH) and the specific active-site-substituted Co(II)LADH. 2. A combined evaluation of steady-state kinetic data and rate constants obtained from stopped-flow measurements, allowed the determination of all rate constants of the following ordered bi-bi mechanism: E in equilibrium E.NAD in equilibrium E.NAD.R1R2 CHOH in equilibrium E.NADH.R1R2CO in equilibrium E.NADH in equilibrium E. 3. On the basis of the different substrate specificities of LADH and yeast alcohol dehydrogenase (YADH), a procedure has been developed to evaluate the enantiomeric product composition of ketone reductions. 2-Butanone and 2-pentanone reductions revealed (S)-2-butanol (86%) and (S)-2-pentanol (95%) as the major products. 4. The observed enantioselectivity implies the existence of two productive ternary complexes; E.NADH.(pro-S) 2-butanone and E.NADH.(pro-R) 2-butanone. All rate constants describing the kinetic pathways of the system (S)-2-butanol, (R)-2-butanol/2-butanone have been determined. These data have been used to estimate the expected enantiomer product composition of 2-butanone reductions using apparent kcat/Km values for the two different ternary-complex configurations of 2-butanone. Additionally, these data have been used for computer simulations of the corresponding reaction cycles. Calculated, simulated and experimental data were found to be in good agreement. Thus, the system (S)-2-butanol, (R)-2-butanol/2-butanone is the first example of a LADH-catalyzed reaction for which the stereochemical course could be described in terms of rate constants of the underlying mechanism. 5. The effects of Co(II) substitution on the

  20. Fluorescence probe studies of the interactions between poly(oxyethylene) and surfactant micelles and microemulsion droplets in aqueous solutions

    SciTech Connect

    Zana, R.; Lianos, P.; Lang, J.

    1985-01-03

    The interaction between poly(ethylene oxide) (POE) and the aggregates present in micellar solutions of sodium dodecyl sulfate (SDS), mixed micellar solutions of SDS + 1-pentanol, and oil in water microemulsions made of SDS + 1-pentanol + oil (dodecane or toluene) has been investigated by means of fluorescence probing methods. It is shown that the addition of POE results in a decrease of the aggregation number of SDS in the aggregates present in all the systems investigated. Most likely this decrease is due to the adsorption of the POE chain in the micelle palisade layer and the ensuing increase of micelle ionization. 22 references, 5 figures, 2 tables.

  1. Preparation of 2-Bromopentane.

    ERIC Educational Resources Information Center

    Howell, B. A.; Kohrman, R. E.

    1984-01-01

    Suggests that the preparation of 2-bromopentane from 2-pentanol might represent an instructive addition to a published description of pheromone synthesis in that it is economical, extends the synthetic nature of the problem, and amplifies the mechanistic vagaries of the substitution reaction. Theory, procedures used, and safety considerations are…

  2. Investigations of aroma volatile biosynthesis under anoxic conditions and in different tissues of "Redchief Delicious" apple fruit (Malus domestica Borkh.).

    PubMed

    Rudell, D R; Mattinson, D S; Mattheis, J P; Wyllie, S G; Fellman, J K

    2002-04-24

    Disks from different tissues were obtained from "Redchief Delicious" apple fruit (Malus domestica Borkh.) and analyzed for the ability to metabolize 1-pentanol as well as synthesize constitutive esters and alcohols under anoxic and aerobic conditions. The skin tissue displayed a greater capacity to synthesize pentanal, pentyl acetate, pentyl propionate, pentyl butyrate, and pentyl hexanoate than the hypanthial and carpellary tissues during incubation with 1-pentanol. With the exception of pentyl acetate and pentyl propionate biosynthesis, the hypanthial tissue synthesized these compounds at a higher rate than the carpellary tissue. Anoxia inhibited both constituent and 1-pentanol-derived ester biosynthesis. While anoxia inhibited ester biosynthesis, ethanol biosynthesis increased at a greater rate in tissue disks held under these conditions. Biosynthesis of 1-butanol, 2-methyl-1-butanol, and 1-hexanol was greater in tissue disks held in air during the first part of the measurement period and dropped off more rapidly than those transpiring in tissue disks held under anoxic conditions. The biosynthetic rates of all esters, both constituent and 1-pentanol-derived, increased as a result of air exposure. While hypoxic or anoxic conditions may promote ethanol synthesis, these conditions also appear to inhibit the formation of the ethanol-derived esters partially responsible for the off-flavor in apples attributed to ultralow O(2) controlled atmosphere storage. PMID:11958633

  3. Behavioral and electrophysiological responses of Aedes albopictus to certain acids and alcohols present in human skin emanations.

    PubMed

    Guha, Lopamudra; Seenivasagan, T; Iqbal, S Thanvir; Agrawal, O P; Parashar, B D

    2014-10-01

    Human skin emanations attract hungry female mosquitoes toward their host for blood feeding. In this study, we report the flight orientation and electroantennogram response of Aedes albopictus females to certain unsaturated acids and alcohols found in human skin. In the Y-tube olfactometer, odors of lactic acid and 2-methyl-3-pentanol attracted 54-65% of Ae. albopictus females at all doses in a dose-dependent manner. However, at the highest dose (10(-2) g), the acids repelled 40-45% females. Attractancy (ca. 62-68%) at lower doses and repellency (ca. 30-45%) at higher doses were recorded for 3-methyl-3-pentanol and 1-octen-3-ol, while 5-hexen-1-ol, cis-2-hexen-1-ol, and trans 2-hexen-1-ol odor repelled ca. 55-65% of Ae. albopictus females at all doses. Antenna of female Ae. albopictus exhibited a dose-dependent EAG response up to 10(-3) g of L-lactic acid, trans-2-methyl-2-pentenoic acid, 2-octenoic acid, trans-2-hexen-1-ol and 1-octen-3-ol stimulations; however, the highest dose (10(-2) g) caused a little decline in the EAG response. EAG response of 9-10-fold was elicited by lactic acid, 2-octenoic acid, trans-2-hexenoic acid, and 3-methyl-3-pentanol, while cis-2-hexen-1-ol and trans-2-methyl pentenoic acid elicited 1-5-fold responses compared to solvent control. A blend of attractive compounds could be utilized in odor-baited trap for surveillance and repellent molecules with suitable formulation could be used to reduce the biting menace of mosquitoes.

  4. Behavioral and electrophysiological responses of Aedes albopictus to certain acids and alcohols present in human skin emanations.

    PubMed

    Guha, Lopamudra; Seenivasagan, T; Iqbal, S Thanvir; Agrawal, O P; Parashar, B D

    2014-10-01

    Human skin emanations attract hungry female mosquitoes toward their host for blood feeding. In this study, we report the flight orientation and electroantennogram response of Aedes albopictus females to certain unsaturated acids and alcohols found in human skin. In the Y-tube olfactometer, odors of lactic acid and 2-methyl-3-pentanol attracted 54-65% of Ae. albopictus females at all doses in a dose-dependent manner. However, at the highest dose (10(-2) g), the acids repelled 40-45% females. Attractancy (ca. 62-68%) at lower doses and repellency (ca. 30-45%) at higher doses were recorded for 3-methyl-3-pentanol and 1-octen-3-ol, while 5-hexen-1-ol, cis-2-hexen-1-ol, and trans 2-hexen-1-ol odor repelled ca. 55-65% of Ae. albopictus females at all doses. Antenna of female Ae. albopictus exhibited a dose-dependent EAG response up to 10(-3) g of L-lactic acid, trans-2-methyl-2-pentenoic acid, 2-octenoic acid, trans-2-hexen-1-ol and 1-octen-3-ol stimulations; however, the highest dose (10(-2) g) caused a little decline in the EAG response. EAG response of 9-10-fold was elicited by lactic acid, 2-octenoic acid, trans-2-hexenoic acid, and 3-methyl-3-pentanol, while cis-2-hexen-1-ol and trans-2-methyl pentenoic acid elicited 1-5-fold responses compared to solvent control. A blend of attractive compounds could be utilized in odor-baited trap for surveillance and repellent molecules with suitable formulation could be used to reduce the biting menace of mosquitoes. PMID:25049052

  5. Study of the resolution of amino acids and aminoalcohols in organic solvents.

    PubMed

    Orsini, F; Pelizzoni, F; Ghioni, C

    1995-06-01

    The enzymatic resolution of racemic phenylglycine, phenylglycinol and phenylalaninol has been studied in organic solvents under a variety of experimental conditions. Subtilisin in 3-methyl-3-pentanol was effective for the resolution of phenylglycine esters, via N-acylation with trifluoroethyl butyrate. Porcine pancreatic lipase in ethyl acetate gave satisfactory results in the resolution of phenylglycinol and phenylalaninol; theα orβ position of the phenyl group was found to influence both the rate and the chemioselectivity of the reaction. PMID:24178813

  6. The substrate binding cavity of particulate methane monooxygenase from Methylosinus trichosporium OB3b expresses high enantioselectivity for n-butane and n-pentane oxidation to 2-alcohol.

    PubMed

    Miyaji, Akimitsu; Miyoshi, Teppei; Motokura, Ken; Baba, Toshihide

    2011-11-01

    The particulate methane monooxygenase (pMMO) of Methylosinus trichosporium OB3b oxidized n-butane and n-pentane and mainly produced (R)-2-butanol and (R)-2-pentanol that comprised 78 and 89% of the product, respectively, indicating that the pro-R hydrogen of the 2-position carbon of n-butane and n-pentane is oriented toward a catalytic site within the substrate binding site of pMMO. The protein cavity adjacent to the catalytic center for pMMO has optimum volume for recognizing n-butane and n-pentane for enantioselective hydroxylation.

  7. Synthesis and tautomerization of hydroxylated isoflavones bearing heterocyclic hemi-aminals.

    PubMed

    Frasinyuk, Mykhaylo S; Bondarenko, Svitlana P; Khilya, Volodymyr P; Liu, Chunming; Watt, David S; Sviripa, Vitaliy M

    2015-01-28

    The aminomethylation of hydroxylated isoflavones with 2-aminoethanol, 3-amino-1-propanol, 4-amino-1-butanol, and 5-amino-1-pentanol in the presence of excess formaldehyde led principally to 9-(2-hydroalkyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]-oxazin-4-ones 4 and/or the tautomeric 7-hydroxy-8-(1,3-oxazepan-3-ylmethyl)-4H-chromen-4-ones 5. The ratio of these tautomers was dependent on solvent polarity, electronic effects of aryl substituents in the isoflavone and the structure of the amino alcohol. NMR studies confirmed the interconversion of tautomeric forms.

  8. Correlation between the physicochemical properties of organic solvents and their biocompatibility toward epoxide hydrolase activity in whole-cells of a yeast, Rhodotorula sp.

    PubMed

    Lotter, Jeanette; Botes, Adriana L; Van Dyk, Martha S; Breytenbach, Jaco C

    2004-08-01

    Epoxides are often highly hydrophobic substrates and the presence of an organic co-solvent within an aqueous bioreactor is in such cases indicated. The effect of 40 water-miscible and -immiscible organic solvents on epoxide hydrolase activity in whole-cells of the yeast Rhodotorula sp. UOFS Y-0448 was investigated. No formal correlation between solvent biocompatibility and physicochemical properties was deductible, although the introduction of hydroxyl groups increased biocompatibility. 1-Pentanol, 2-methylcyclohexanol and 1-octanol were the most biocompatible resulting in relatively low activity losses when used at up to 20% (v/v).

  9. Regioselective alkane hydroxylation with a mutant CYP153A6 enzyme

    DOEpatents

    Koch, Daniel J.; Arnold, Frances H.

    2013-01-29

    Cytochrome P450 CYP153A6 from Myobacterium sp. strain HXN1500 was engineered using in-vivo directed evolution to hydroxylate small-chain alkanes regioselectively. Mutant CYP153A6-BMO1 selectively hydroxylates butane and pentane at the terminal carbon to form 1-butanol and 1-pentanol, respectively, at rates greater than wild-type CYP153A6 enzymes. This biocatalyst is highly active for small-chain alkane substrates and the regioselectivity is retained in whole-cell biotransformations.

  10. Effect of release rate and enantiomeric composition on response to pheromones of Megaplatypus mutatus (Chapuis) in poplar plantations of Argentina and Italy.

    PubMed

    Funes, Hernán; Zerba, Eduardo; Gonzalez-Audino, Paola

    2013-10-01

    Megaplatypus mutatus (=Platypus sulcatus Chapuis) is an Ambrosia beetle native to South America, which was recently introduced in Italy and its presence there is causing severe damage to the local poplar plantations. The male M. mutatus pheromone is composed of (S)-(+)-6-methyl-5-hepten-2-ol [(+)-sulcatol], 6-methyl-5-hepten-2-one (sulcatone) and 3-pentanol. A series of field trials testing dose, blend and enantiomer composition performed in Argentina and Italy evaluated attraction and found that the optimal release rate of pheromone components as baits in cross vane baited traps (CIPEIN-CV) was 6, 6 and 30 mg day−1 of sulcatone, (+)-sulcatol and 3-pentanol, respectively. It was also determined that racemic sulcatol is as effective as the pure (+)-isomer for the purpose of beetle catch, due to the inert nature of the (−)-isomer allowing the usage of low cost racemic sulcatol instead of highly expensive (+)-sulcatol. The results of our work contribute to the development of pheromone-based local technologies with low environmental impact and low cost for control or monitoring of an important pest. PMID:23590828

  11. Solubility of simvastatin: A theoretical and experimental study

    NASA Astrophysics Data System (ADS)

    Aceves-Hernández, Juan M.; Hinojosa-Torres, Jaime; Nicolás-Vázquez, Inés; Ruvalcaba, Rene Miranda; García, Rosa María Lima

    2011-05-01

    Solubility experimental data from Simvastatin in a family of alcohols were obtained at different temperatures. Simvastatin was characterized by using thermal analysis and X-ray diffraction. From the experimental solubility data an anomalous behavior was observed, since an increase the number of alcohol carbon atoms shows an increase in solubility only for the three first alcohols, ethanol, 1-propanol and 1-butanol. A decrease in solubility was obtained for 1-pentanol, 1-hexanol and 1-octanol. Van't·Hoff equation was used to obtain the theoretical solubility value and the ideal activity coefficient. Experimental error was very low and does not affect the plots and equations used. No polymorphic phenomenon was found from the Simvastatin characterization. Theoretical calculations were carried out in order to corroborate the experimental solubility data. Trends and results are similar in both cases. The geometry optimizations of Simvastatin was carried out using density functional theory with Becke's three parameter hybrid method and correlation functional of Lee, Yang and Parr (B3LYP) with 6-311++G∗∗ basis set. The solvent effect was treated using a continuum model as modeled in water, methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol and 1-octanol. Moreover, dielectric constant, dipolar moment and solubility in the solvents were obtained for explaining the former behavior.

  12. Graphite furnace-atomic absorption spectrophotometric determination of palladium in soil.

    PubMed

    Patel, K S; Sharma, P C; Hoffmann, P

    2000-08-01

    A new and sensitive procedure for the graphite furnace-atomic absorption spectrophotometric (GF-AAS) determination of Pd in soil at nanogram level is described. The method is based on prior separation and enrichment of the metal as Pd(II)-SnCl3- -N-butylacetamide (BAA) complex into 1-pentanol (PN) by solvent extraction method. The value of the molar absorptivity of the complex in three solvents, i.e. ethyl acetate, 1-pentanol, chloroform, lie in the range of (0.70-2.75) x 10(4) L mol(-1) cm(-1) at lambda(max) 360-440 nm. The metal could be enriched into organic solvent, i.e. PN, up to 10-folds. The sensitivity (A = 0.0044) of the method in the term of the peak height was 0.5 ng Pd/mL of the aqueous solution at an enrichment factor (EF) of 5. Optimization of analytical variables during enrichment and GF-AAS determination of the metal are discussed. The method has been applied for the analysis of Pd to soil samples derived from roads and highways in Germany. PMID:11220609

  13. Enhancement of nitrate-induced bioremediation in marine sediments contaminated with petroleum hydrocarbons by using microemulsions.

    PubMed

    Zhang, Zhen; Zheng, Guanyu; Lo, Irene M C

    2015-06-01

    The effect of microemulsion on the biodegradation of total petroleum hydrocarbons (TPH) in nitrate-induced bioremediation of marine sediment was investigated in this study. It was shown that the microemulsion formed with non-ionic surfactant polyoxyethylene sorbitan monooleate (Tween 80), 1-pentanol, linseed oil, and either deionized water or seawater was stable when subjected to dilution by seawater. Desorption tests revealed that microemulsion was more effective than the Tween 80 solution or the solution containing Tween 80 and 1-pentanol to desorb TPH from marine sediment. In 3 weeks of bioremediation treatment, the injection of microemulsion and NO3 (-) seems to have delayed the autotrophic denitrification between NO3 (-) and acid volatile sulfide (AVS) in sediment compared to the control with NO3 (-) injection alone. However, after 6 weeks of treatment, the delaying effect of microemulsion on the autotrophic denitrification process was no longer observed. In the meantime, the four injections of microemulsion and NO3 (-) resulted in as high as 29.73 % of TPH degradation efficiency, higher than that of two injections of microemulsion and NO3 (-) or that of four or two injections of NO3 (-) alone. These results suggest that microemulsion can be potentially applied to enhance TPH degradation in the nitrate-induced bioremediation of marine sediment.

  14. Interplay of metalloligand and organic ligand to tune micropores within isostructural mixed-metal organic frameworks (M'MOFs) for their highly selective separation of chiral and achiral small molecules.

    PubMed

    Das, Madhab C; Guo, Qunsheng; He, Yabing; Kim, Jaheon; Zhao, Cong-Gui; Hong, Kunlun; Xiang, Shengchang; Zhang, Zhangjing; Thomas, K Mark; Krishna, Rajamani; Chen, Banglin

    2012-05-23

    Four porous isostructural mixed-metal-organic frameworks (M'MOFs) have been synthesized and structurally characterized. The pores within these M'MOFs are systematically tuned by the interplay of both the metalloligands and organic ligands which have enabled us not only to direct their highly selective separation of chiral alcohols 1-phenylethanol (PEA), 2-butanol (BUT), and 2-pentanol (2-PEN) with the highest ee up to 82.4% but also to lead highly selective separation of achiral C(2)H(2)/C(2)H(4) separation. The potential application of these M'MOFs for the fixed bed pressure swing adsorption (PSA) separation of C(2)H(2)/C(2)H(4) has been further examined and compared by the transient breakthrough simulations in which the purity requirement of 40 ppm in the outlet gas can be readily fulfilled by the fixed bed M'MOF-4a adsorber at ambient conditions.

  15. Light-induced oxidation in semihard cheeses. Evaluation of methods used to determine levels of oxidation.

    PubMed

    Mortensen, Grith; Sørensen, John; Stapelfeldt, Henrik

    2002-07-17

    Light-induced oxidation in Havarti cheese (38% fat) stored in the dark and exposed to fluorescent light was evaluated by an array of chemical, physical, and spectroscopic methods. Light-induced changes were noticeable already after short exposure times (<12 h). A clear differentiation between samples stored in the dark and samples exposed to 1000 lx fluorescent light was obtained by means of the following methods: color measurements (a values), peroxide value determinations, and evaluations of volatile oxidation products by solid-phase microextraction gas chromatography (SPME-GC). The expected changes in peroxide values in relation to storage time were not evident. Measuring free radicals by electron spin resonance spectrometry could not be done to distinguish between samples, possibly due to the conversion of radicals during sample preparation. However, significant light-exposure effects on secondary oxidation products, detected by SPME-GC, were noted for 1-pentanol, 1-hexanol, nonanal, and benzaldehyde. PMID:12105971

  16. Solvent optimization for niacinamide adsorption on organo-functionalized SBA-15 mesoporous silica

    NASA Astrophysics Data System (ADS)

    Moritz, Michał

    2013-10-01

    This work describes the application of organo-modified SBA-15 siliceous materials as the carrier for niacinamide. The surface functionalization of SBA-15 by a grafting strategy with triethoxyphenylsilane, triethoxy(4-methoxyphenyl)silane, triethoxymethylsilane and (3-mercaptopropyl)trimethoxysilane as modifying agents has been successfully achieved. The adsorption process was performed in acetonitrile, methanol, 2-propanol, 1-pentanol and ethyl acetate. The obtained results indicated a promote niacinamide adsorption on sulfopropyl-modified (119 mg/g) and non-modified (78 mg/g) SBA-15 from ethyl acetate. The pure and derivatized SBA-15 products have been characterized by elemental analysis, thermogravimetry, nitrogen adsorption and diffuse reflectance UV spectroscopy. After niacinamide adsorption the textural parameters of mesoporous carriers such as BET surface area, pore volume and microporosity were reduced. The mesoporous matrices loaded with niacinamide exhibited prolonged-release kinetics of this vitamin, especially from sulfopropyl-modified SBA-15 carrier.

  17. Development of a new in-vial standard gas system for calibrating solid-phase microextraction in high-throughput and on-site applications.

    PubMed

    Gómez-Ríos, German A; Reyes-Garcés, Nathaly; Pawliszyn, Janusz

    2013-09-01

    In this work, an innovative, reproducible, and reusable standard generator vial is presented. The standard generator vial consists of vacuum-pump oil doped with McReynolds probes (benzene, 2-pentanone, pyridine, nitropropane, 1-pentanol, and n-octane) mixed with a polystyrene-divinylbenzene resin without functional groups. The evaluation of this vial was fully automated on a multifiber exchanger system and the extraction/desorption cycle, together with the programmed GC-qMS analysis, did not exceed 13 min. The results showed that after 160 extraction/injections cycles of the vial the relative SDs were smaller than 4% for all the standards. A randomized block design was used to evaluate the inter and intravial repeatability, and at 95% level of confidence nonstatistical differences among vials were found. Because of its compacted granular appearance this vial is easy to transport, and it is an ideal calibration standard for bench and field instruments and devices.

  18. Bioethanol Production Optimization: A Thermodynamic Analysis

    NASA Astrophysics Data System (ADS)

    Álvarez, Víctor H.; Rivera, Elmer Ccopa; Costa, Aline C.; Filho, Rubens Maciel; Maciel, Maria Regina Wolf; Aznar, Martín

    In this work, the phase equilibrium of binary mixtures for bioethanol production by continuous extractive process was studied. The process is composed of four interlinked units: fermentor, centrifuge, cell treatment unit, and flash vessel (ethanol-congener separation unit). A proposal for modeling the vapor-liquid equilibrium in binary mixtures found in the flash vessel has been considered. This approach uses the Predictive Soave-Redlich-Kwong equation of state, with original and modified molecular parameters. The congeners considered were acetic acid, acetaldehyde, furfural, methanol, and 1-pentanol. The results show that the introduction of new molecular parameters r and q in the UNIFAC model gives more accurate predictions for the concentration of the congener in the gas phase for binary and ternary systems.

  19. Ultrasonic relaxation studies of mixed micelles formed from alcohol-decyltrimethylammonium bromide-water

    SciTech Connect

    Jobe, D.J.; Verrall, R.E.; Skalski, B.

    1992-08-06

    This paper discusses how ultrasonic relaxation and conductance studies of alcohol (1-pentanol or 1-butanol)-DTAB-water mixed micelles reveal two relaxation frequencies related to the exchange of monomer surfactant and of alcohol between the micelles and the bulk phase. Conductance and time-resolved fluorescence measurements were used to obtain the alcohol distribution coefficients, micelle ionization, critical micellar concentration, and the alcohol and surfactant mean aggregation numbers. Using two models (Aniansson and Hall & Wyn-Jones), information about the forward and backward rate constants, polydispersity of the mixed micelles and the change in volumes of the two exchange processes are obtained and compared with 1-propanol-DTAB-water. Alcohol chain length influence on thermodynamics and kinetics is also discussed. 16 refs., 12 figs., 6 tabs.

  20. Optical constants of alcohols in the infrared

    NASA Technical Reports Server (NTRS)

    Sethna, P. P.; Williams, D.

    1979-01-01

    The spectral reflectances at near-normal incidence for methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol are reported for the spectral range 6700-350 kaysers. The real and imaginary parts of the complex index of refraction of these liquids are obtained in the range 4000-400 kaysers by use of Kramers-Kronig phase-shift analysis. For all of the alcohols studied, the strength for the OH-stretch bands is directly proportional to the number of OH groups per unit volume; similar relations are established for CH- and CO-stretch bands. Absorption cross sections for stretch vibrations of the three groups are considered, and the role of characteristic group intensities in intensity spectroscopy is discussed.

  1. Ultrasound-assisted extraction of volatile compounds from wine samples: optimisation of the method.

    PubMed

    Cabredo-Pinillos, S; Cedrón-Fernández, T; González-Briongos, M; Puente-Pascual, L; Sáenz-Barrio, C

    2006-07-15

    This study describes a liquid-liquid extraction technique for extracting volatile compounds from wine using dichloromethane and ultrasounds. This technique permits the simultaneous extraction of different samples with high reproducibility. After the preliminary tests, several parameters (sample volume, solvent volume and extraction time) were optimised using a factorial design to obtain the most relevant variables. The analytical characteristics were obtained such as calibration graphs, detection limits ranging from 0.0238 mg L(-1) for 1-pentanol to 0.261 mg L(-1) for octanoic acid, quantification limits and relative standard deviation from 2.1 to 6.2%. Extraction yields were calculated giving a range 9.16-1.2%. The optimised conditions were applied to the extraction of samples of young wines from the Denominación de Origen Calificada Rioja category using gas chromatography and a flame ionisation detector. PMID:18970692

  2. Energy Transfer of CdSe/ZnS Nanocrystals Encapsulated with Rhodamine-Dye Functionalized Poly(acrylic acid)

    PubMed Central

    Somers, Rebecca C.; Snee, Preston T.; Bawendi, Moungi G.; Nocera, Daniel G.

    2014-01-01

    Energy transfer between a CdSe/ZnS nanocrystal (NC) donor and a rhodamine isothiocyanate (RITC) acceptor has been achieved via a functionalized poly(acrylic acid) (PAA) encapsulating layer over the surface of the NC. The modification of PAA with both N-octylamine (OA) and 5-amino-1-pentanol (AP), [PAA-OA-AP], allows for the simultaneous water-solubilization and functionalization of the NCs, underscoring the ease of synthesizing NC-acceptor conjugates with this strategy. Photophysical studies of the NC-RITC constructs showed that energy transfer is efficient, with kFRET approaching 108 s−1. The ease of the covalent conjugation of molecules to NCs with PAA-OA-AP coating, together with efficient energy transfer, makes the NCs encapsulated with PAA-OA-AP attractive candidates for sensing applications. PMID:24926175

  3. Real-time feedback control using online attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy for continuous flow optimization and process knowledge.

    PubMed

    Skilton, Ryan A; Parrott, Andrew J; George, Michael W; Poliakoff, Martyn; Bourne, Richard A

    2013-10-01

    The use of automated continuous flow reactors is described, with real-time online Fourier transform infrared spectroscopy (FT-IR) analysis to enable rapid optimization of reaction yield using a self-optimizing feedback algorithm. This technique has been applied to the solvent-free methylation of 1-pentanol with dimethyl carbonate using a γ-alumina catalyst. Calibration of the FT-IR signal was performed using gas chromatography to enable quantification of yield over a wide variety of flow rates and temperatures. The use of FT-IR as a real-time analytical technique resulted in an order of magnitude reduction in the time and materials required compared to previous studies. This permitted a wide exploration of the parameter space to provide process understanding and validation of the optimization algorithms. PMID:24067568

  4. Kinetic analysis of the denaturation process by alcohols of sodium channels in squid giant axon.

    PubMed Central

    Kukita, F; Mitaku, S

    1993-01-01

    1. The effects of several aliphatic alcohols on sodium currents were examined in the intracellularly perfused squid giant axon when the same concentration of alcohol was applied on both sides of the membrane. 2. An irreversible suppression of sodium currents, accompanied by anaesthesia at high alcohol concentration, was examined in detail using four aliphatic alcohols, that is, ethanol, 1-propanol, 1-butanol and 1-pentanol. 3. This irreversible effect seemed to be attributable to the sequential denaturation of sodium channels, because the kinetics, the current-voltage relation and the sodium channel activation-voltage curve did not change after the sodium current decreased. 4. The time course of the remaining sodium conductance was measured as a function of the sum of the alcohol application time by repeating the process of applying and completely washing out alcohol. The remaining sodium conductance decayed as a function of time in a single exponential manner. This decay time constant depended strongly on the concentration of alcohol and could be assumed to be the denaturation time constant of the sodium channel. 5. The denaturation time constant decreased as the alcohol concentration increased. This time constant is proportional to the Nth power of the alcohol concentration. The N values are 4.3, 4.5, 5.8 and 7.6 for ethanol, 1-propanol, 1-butanol and 1-pentanol, respectively. This implies that alcohol molecules bind to a restricted number of specific sites in the sodium channel protein to cause the denaturation. 6. The concentration of alcohol which caused the same amount of denaturation is related to the exponential function of the carbon number of the alcohol. Considering the partition coefficient of alcohol between lipid and aqueous solution, the concentration of alcohol in the membrane which denatured half of the sodium channels in 2 h can be calculated to be 0.5 M for all alcohols. PMID:8246196

  5. Simplification of a complex microbial antilisterial consortium to evaluate the contribution of its flora in uncooked pressed cheese.

    PubMed

    Callon, Cécile; Saubusse, Marjorie; Didienne, Robert; Buchin, Solange; Montel, Marie-Christine

    2011-02-28

    inoculated with lactic acid bacteria differed from those without by higher levels of ethyl formiate, pentane and alcohols (2-butanol, 2-pentanol), and lower levels of ketones (2-hexanone, 2,3-butanedione) and aldehydes (2-methyl-butanal). Levels of 2-methyl-butanal, 2-butanol and 2-pentanol were higher in ABCD and AB cheeses than in AD cheeses. Beside their contribution to the inhibition, their effect on cheese flavour must be evaluated.

  6. Kinetics and products of the reactions of hydroxyl radicals with selected volatile organic compounds, including oxygenated compounds

    NASA Astrophysics Data System (ADS)

    Bethel, Heidi Lynn

    -initiated reactions of 2-methyl-2-pentanol and 4-methyl-2-pentanol. These compounds were studied in order to investigate the formation of alkoxy radicals (RO•) and their subsequent reactions through isomerization, decomposition or reaction with O2 . Experiments of the type detailed here allow the determination of kinetics and products of the atmospheric reactions of VOCs and provide input for mechanistic models of photochemical smog formation.

  7. Development and evaluation of novel sensing materials for detecting food contamination

    NASA Astrophysics Data System (ADS)

    Sankaran, Sindhuja

    Rapid detection of food-borne volatile organic compounds (VOCs) such as organic acids and alcohols released by bacterial pathogens is being used as an indicator for detecting bacterial contamination in food by our research group. One of our current research thrusts is to develop novel sensors that will be sensitive to specific compounds (at low operating temperature) associated with food safety. This study evaluates two approaches employed to develop sensors for detecting acid and alcohols at low concentrations. Chemoresistive and piezoelectric sensors were developed based on metal oxides and olfactory system based biomaterials, respectively to detect acetic acid, butanol, 3-methyl-1-butanol, 1-pentanol, and 1-hexanol. The metal oxide based sensors were developed by the sol-gel method. A zinc oxide (ZnO) sensor was found to be sensitive to acetic acid with lower detection limit ranging from 13-40 ppm. The three-layered dip-coated gold electrode based ZnO sensors had a LDL of 18 ppm for acetic acid detection. The ZnO-iron oxide (Fe2O3) based nanocomposite sensors were developed to detect butanol operating at 100°C. The 5% Fe/Zn mole ratio based ZnO-Fe2O3 nanocomposite sensors had high correlation coefficients (>0.90) of calibration curves, low butanol LDLs (26 +/- 7 ppm), and lower variation among the sensor responses. The ZnO and ZnO-Fe2O3 nanocomposite sensors showed potential to detect acetic acid and butanol at low concentrations, respectively at 100°C. QCM based olfactory sensors were developed from olfactory receptor and odorant binding protein based sequences to detect low concentrations of acetic acid and alcohols (3-methyl-1-butanol and 1-hexanol), respectively. The average LDLs for acetic acid as well as alcohols detection of the QCM sensors were < 5 ppm. The linear calibration curve based correlation coefficients of the QCM sensors were > 0.80. Finally, a computational simulation based peptide sequences was designed from olfactory receptors and

  8. Electrophysiological and Behavioral Responses of Male Fall Webworm Moths (Hyphantria cunea) to Herbivory-Induced Mulberry (Morus alba) Leaf Volatiles

    PubMed Central

    Tang, Rui; Zhang, Jin Ping; Zhang, Zhong Ning

    2012-01-01

    Volatile organic compounds (VOCs) were collected from damaged and intact mulberry leaves (Morus alba L., Moraceae) and from Hyphantria cunea larvae by headspace absorption with Super Q columns. We identified their constituents using gas chromatography-mass spectrometry, and evaluated the responses of male H. cunea antennae to the compounds using gas chromatography-flame ionization detection coupled with electroantennographic detection. Eleven VOC constituents were found to stimulate antennae of male H. cunea moths: β-ocimene, hexanal, cis-3-hexenal, limonene, trans-2-hexenal, cyclohexanone, cis-2-penten-1-ol, 6-methyl-5-hepten-2-one, 4-hydroxy-4-methyl-2-pentanone, trans-3-hexen-1-ol, and 2,4-dimethyl-3-pentanol. Nine of these chemicals were released by intact, mechanically-damaged, and herbivore-damaged leaves, while cis-2-penten-1-ol was released only by intact and mechanically-damaged leaves and β-ocimene was released only by herbivore-damaged leaves. Results from wind tunnel experiments conducted with volatile components indicated that male moths were significantly more attracted to herbivory-induced volatiles than the solvent control. Furthermore, male moths' attraction to a sex pheromone lure was increased by herbivory-induced compounds and β-ocimene, but reduced by cis-2-penten-1-ol. A proof long-range field trapping experiment showed that the efficiency of sex pheromone lures in trapping male moths was increased by β-ocimene and reduced by cis-2-penten-1-ol. PMID:23166622

  9. Degradation mechanisms of geosmin and 2-MIB during UV photolysis and UV/chlorine reactions.

    PubMed

    Kim, Tae-Kyoung; Moon, Bo-Ram; Kim, Taeyeon; Kim, Moon-Kyung; Zoh, Kyung-Duk

    2016-11-01

    We conducted chlorination, UV photolysis, and UV/chlorin reactions to investigate the intermediate formation and degradation mechanisms of geosmin and 2-methylisoborneol (2-MIB) in water. Chlorination hardly removed geosmin and 2-MIB, while the UV/chlorine reaction at 254 nm completely removed geosmin and 2-MIB within 40 min and 1 h, respectively, with lesser removals of both compounds during UV photolysis. The kinetics during both UV photolysis and UV/chlorine reactions followed a pseudo first-order reaction. Chloroform was found as a chlorinated intermediate during the UV/chlorine reaction of both geosmin and 2-MIB. The pH affected both the degradation and chloroform production during the UV/chlorine reaction. The open ring and dehydration intermediates identified during UV/chlorine reactions were 1,4-dimethyl-adamantane, and 1,3-dimethyl-adamantane from geosmin, 2-methylenebornane, and 2-methyl-2-bornene from 2-MIB, respectively. Additionally, 2-methyl-3-pentanol, 2,4-dimethyl-1-heptene, 4-methyl-2-heptanone, and 1,1-dichloro-2,4-dimethyl-1-heptane were newly identified intermediates from UV/chlorine reactions of both geosmin and 2-MIB. These intermediates were degraded as the reaction progressed. We proposed possible degradation pathways during the UV photolysis and UV/chlorine reactions of both compounds using the identified intermediates. PMID:27494316

  10. Synthesis of Short-Chain Diols and Unsaturated Alcohols from Secondary Alcohol Substrates by the Rieske Nonheme Mononuclear Iron Oxygenase MdpJ

    PubMed Central

    Schäfer, Franziska; Schuster, Judith; Würz, Birgit; Härtig, Claus; Harms, Hauke; Müller, Roland H.

    2012-01-01

    The Rieske nonheme mononuclear iron oxygenase MdpJ of the fuel oxygenate-degrading bacterial strain Aquincola tertiaricarbonis L108 has been described to attack short-chain tertiary alcohols via hydroxylation and desaturation reactions. Here, we demonstrate that also short-chain secondary alcohols can be transformed by MdpJ. Wild-type cells of strain L108 converted 2-propanol and 2-butanol to 1,2-propanediol and 3-buten-2-ol, respectively, whereas an mdpJ knockout mutant did not show such activity. In addition, wild-type cells converted 3-methyl-2-butanol and 3-pentanol to the corresponding desaturation products 3-methyl-3-buten-2-ol and 1-penten-3-ol, respectively. The enzymatic hydroxylation of 2-propanol resulted in an enantiomeric excess of about 70% for the (R)-enantiomer, indicating that this reaction was favored. Likewise, desaturation of (R)-2-butanol to 3-buten-2-ol was about 2.3-fold faster than conversion of the (S)-enantiomer. The biotechnological potential of MdpJ for the synthesis of enantiopure short-chain alcohols and diols as building block chemicals is discussed. PMID:22752178

  11. Dislodgement effect of natural semiochemicals released by disturbed triatomines: a possible alternative monitoring tool.

    PubMed

    Minoli, Sebastián; Palottini, Florencia; Crespo, Jose Guillermo; Manrique, Gabriel

    2013-12-01

    The quick detection of domestic and peridomestic triatomines in their environments becomes difficult without the use of dislodgement substances that flush them out from their shelters. At present, tetramethrin 0.2% is being widely used in control programs. Although it is an efficient dislodging agent, its toxicity might affect the health of captured triatomines, of other insects and, to a lesser extent, of other animals, including humans. Here, we tested if semiochemicals released by disturbed adults of Triatoma infestans and/or Rhodnius prolixus can make larvae of the same species exit from their refuges. In a walking olfactometer we found that: 1) larvae of T. infestans were repelled by the odors released by disturbed adults of their own species and of R. prolixus, 2) larvae of R. prolixus did not change their behavior in the presence of odors released by adults of both species, and 3) activity levels were not modulated by these odors in any of both species. Besides, in pseudo-natural conditions we found an increased flushing-out activity of larvae of T. infestans when their shelters were sprayed with isobutyric acid or 3-pentanol, and of larvae of R. prolixus when sprayed with 3-methyl-1-butanol. We succeeded in this work to dislodge larvae of triatomines from artificial shelters using natural volatile compounds, allowing the capture of live bugs for further investigations (e.g., xenodiagnosis or genetic studies) and favoring ecological aspects (e.g., minimizing environmental insecticide-contamination and non-targeted mortality).

  12. Degradation mechanisms of geosmin and 2-MIB during UV photolysis and UV/chlorine reactions.

    PubMed

    Kim, Tae-Kyoung; Moon, Bo-Ram; Kim, Taeyeon; Kim, Moon-Kyung; Zoh, Kyung-Duk

    2016-11-01

    We conducted chlorination, UV photolysis, and UV/chlorin reactions to investigate the intermediate formation and degradation mechanisms of geosmin and 2-methylisoborneol (2-MIB) in water. Chlorination hardly removed geosmin and 2-MIB, while the UV/chlorine reaction at 254 nm completely removed geosmin and 2-MIB within 40 min and 1 h, respectively, with lesser removals of both compounds during UV photolysis. The kinetics during both UV photolysis and UV/chlorine reactions followed a pseudo first-order reaction. Chloroform was found as a chlorinated intermediate during the UV/chlorine reaction of both geosmin and 2-MIB. The pH affected both the degradation and chloroform production during the UV/chlorine reaction. The open ring and dehydration intermediates identified during UV/chlorine reactions were 1,4-dimethyl-adamantane, and 1,3-dimethyl-adamantane from geosmin, 2-methylenebornane, and 2-methyl-2-bornene from 2-MIB, respectively. Additionally, 2-methyl-3-pentanol, 2,4-dimethyl-1-heptene, 4-methyl-2-heptanone, and 1,1-dichloro-2,4-dimethyl-1-heptane were newly identified intermediates from UV/chlorine reactions of both geosmin and 2-MIB. These intermediates were degraded as the reaction progressed. We proposed possible degradation pathways during the UV photolysis and UV/chlorine reactions of both compounds using the identified intermediates.

  13. Two volatile organic compounds trigger plant self-defense against a bacterial pathogen and a sucking insect in cucumber under open field conditions.

    PubMed

    Song, Geun Cheol; Ryu, Choong-Min

    2013-01-01

    Systemic acquired resistance (SAR) is a plant self-defense mechanism against a broad-range of pathogens and insect pests. Among chemical SAR triggers, plant and bacterial volatiles are promising candidates for use in pest management, as these volatiles are highly effective, inexpensive, and can be employed at relatively low concentrations compared with agrochemicals. However, such volatiles have some drawbacks, including the high evaporation rate of these compounds after application in the open field, their negative effects on plant growth, and their inconsistent levels of effectiveness. Here, we demonstrate the effectiveness of volatile organic compound (VOC)-mediated induced resistance against both the bacterial angular leaf spot pathogen, Pseudononas syringae pv. lachrymans, and the sucking insect aphid, Myzus persicae, in the open field. Using the VOCs 3-pentanol and 2-butanone where fruit yields increased gave unexpectedly, a significant increase in the number of ladybird beetles, Coccinella septempunctata, a natural enemy of aphids. The defense-related gene CsLOX was induced by VOC treatment, indicating that triggering the oxylipin pathway in response to the emission of green leaf volatiles can recruit the natural enemy of aphids. These results demonstrate that VOCs may help prevent plant disease and insect damage by eliciting induced resistance, even in open fields. PMID:23698768

  14. Two Volatile Organic Compounds Trigger Plant Self-Defense against a Bacterial Pathogen and a Sucking Insect in Cucumber under Open Field Conditions

    PubMed Central

    Song, Geun Cheol; Ryu, Choong-Min

    2013-01-01

    Systemic acquired resistance (SAR) is a plant self-defense mechanism against a broad-range of pathogens and insect pests. Among chemical SAR triggers, plant and bacterial volatiles are promising candidates for use in pest management, as these volatiles are highly effective, inexpensive, and can be employed at relatively low concentrations compared with agrochemicals. However, such volatiles have some drawbacks, including the high evaporation rate of these compounds after application in the open field, their negative effects on plant growth, and their inconsistent levels of effectiveness. Here, we demonstrate the effectiveness of volatile organic compound (VOC)-mediated induced resistance against both the bacterial angular leaf spot pathogen, Pseudononas syringae pv. lachrymans, and the sucking insect aphid, Myzus persicae, in the open field. Using the VOCs 3-pentanol and 2-butanone where fruit yields increased gave unexpectedly, a significant increase in the number of ladybird beetles, Coccinella septempunctata, a natural enemy of aphids. The defense-related gene CsLOX was induced by VOC treatment, indicating that triggering the oxylipin pathway in response to the emission of green leaf volatiles can recruit the natural enemy of aphids. These results demonstrate that VOCs may help prevent plant disease and insect damage by eliciting induced resistance, even in open fields. PMID:23698768

  15. Homogeneous catalysis on the gas-phase dehydration reaction of tertiary alcohols by hydrogen bromide. Density functional theory calculation

    NASA Astrophysics Data System (ADS)

    Maldonado, Alexis; Rosas, Felix; Mora, Jose R.; Brusco, Yannely; Córdova-Sintjago, Tania C.; Chuchani, Gabriel

    2015-02-01

    The gas-phase thermal dehydration mechanism of tert-butanol, 2-methyl-2-butanol, 2-methyl-2-pentanol and 2,3-dimethyl-2-butanol by homogeneous catalysis of hydrogen bromide was examined by density functional theory calculations with the hybrid functionals: M062X, CAMB3LYP and WB97XD. Reasonable agreements were found between theoretical and experimental enthalpy values at the WB97XD/6-311++G(d,p) level. The dehydration mechanism of tert-butanol with and without catalysis was evaluated in order to examine the catalyst effect on the mechanism. The elimination reaction without catalysis involves a four-membered transition state (TS), while the reaction with catalysis involves a six-membered TS. The mechanism without catalysis has enthalpy activation over 150 kJ mol-1 greater than the catalysed reaction. In all these reactions, the elongation of the C-O bond is significant in the TS. The un-catalysed reaction is controlled by breaking of C-O bond, and it was found to be more synchronous (Sy ≈ 0.91) than the hydrogen bromide catalysed reactions (Sy ≈ 0.75-0.78); the latter reactions are dominated by the three reaction coordinates associated with water formation. No significant effect on the enthalpies of activation was observed when the size of the alkyl chain was increased.

  16. Deuterium-Labeling Study of the Hydrogenation of 2-Methylfuran and 2,5-Dimethylfuran over Carbon-Supported Noble Metal Catalysts.

    PubMed

    Kang, Jungshik; Vonderheide, Anne; Guliants, Vadim V

    2015-09-21

    2-Methylfuran and 2,5-dimethylfuran were deuterated over Pd and Pt catalysts at 90-220 °C. Furan ring saturation over a Pd/C catalyst occurred at low reaction temperatures, which led to deuterated THFs, followed by progressive D exchange in the THF ring at higher temperatures. Finally, H/D exchange occurred in the methyl groups on the THF ring. Cleavage of the C-O bond also occurred over a Pd/C catalyst at elevated temperatures, which resulted in deuterated ketones, for which all H atoms were exchanged for D. Alcohols were produced over a Pt/C catalyst at low temperatures because they are more stable than the corresponding ketones. D replaced H on all carbon atoms of the furan ring and saturated the O and C atoms of the broken C-O bond in both deuterated 2-pentanol and 2-hexanol. At low temperatures (90-105 °C), all H atoms in the deuterated alcohols were exchanged for D except for the last two hydrogen atoms on the methyl groups. PMID:26373360

  17. Simultaneous convective heat and mass transfer in impingement ink drying

    SciTech Connect

    Can, M.

    1998-08-01

    Effective and economical drying of thin ink films is essential in the printing, packaging and coating industries. In evaporative drying, high heat and mass transfer rates are commonly achieved by means of high velocity impinging air jets. To provide data for dryer design a program of research has been implemented to study the heat and mass transfer processes which underlie the drying of thin ink films. The heat transfer situation under impinging air jets is outlined and some experimental results are presented. Optimization of nozzle arrays for impinging air jets is analyzed for practical applications. A non-contact infra-red technique for continuously monitoring the ink drying process is described and drying curves for an ink based on a single solvent (4-Methyl-2-pentanol-MIBC) are presented. Heat and mass transfer theory has been used to predict drying times in the constant rate drying period. These predictions have been compared with experimentally determined drying times. This research has served to confirm the fundamental importance of the drying curve as a basis for dryer design.

  18. Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules

    SciTech Connect

    Madhab, Das; He, Yabing; Kim, Jaheon; Guo, Qunsheng; Zhao, Cong-Gui; Hong, Kunlun; Xiang, Sheng-Chang; Zhang, Zhangjing; Thomas, K Mark; Krishna, Rajamani; Chen, Banglin

    2012-01-01

    Four porous isostructural mixed-metal-organic frameworks (M'MOFs) have been synthesized and structurally characterized. The pores within these M'MOFs are systematically tuned by the interplay of both the metalloligands and organic ligands which have enabled us not only to direct their highly selective separation of chiral alcohols 1-phenylethanol (PEA), 2-butanol (BUT), and 2-pentanol (2-PEN) with the highest ee up to 82.4% but also to lead highly selective separation of achiral C{sub 2}H{sub 2}/C{sub 2}H{sub 4} separation. The potential application of these M'MOFs for the fixed bed pressure swing adsorption (PSA) separation of C{sub 2}H{sub 2}/C{sub 2}H{sub 4} has been further examined and compared by the transient breakthrough simulations in which the purity requirement of 40 ppm in the outlet gas can be readily fulfilled by the fixed bed M'MOF-4a adsorber at ambient conditions.

  19. Conventional and micellar liquid chromatography method development for danazol and validation in capsules.

    PubMed

    Gonzalo-Lumbreras, R; Izquierdo-Hornillos, R

    2003-07-14

    Two isocratic liquid chromatographic methods (conventional and micellar) for the determination of danazol (DZ) in capsules using canrenone (CAN) as internal standard have been developed and validated. In conventional liquid chromatography a mobile phase 35% water:acetonitrile 65%, v:v, a flow-rate 1 ml min(-1) and a C18 Hypersil ODS (250 x 4.6 mm, 5 microm) column (25 degrees C) were used. In micellar liquid chromatography (MLC) the conditions were: mobile phase 40 mM sodium dodecyl sulfate:2% pentanol, flow-rate 0.5 ml min(-1) and C18 Hypersil ODS (150 x 3.0 mm, 5 microm) column (60 degrees C). For both methods. UV absorbance detection at 280 nm was used and a separation up to base line was achieved. Prior to HPLC analysis a simple sample preparation was required. The recoveries found in the accuracy test were 99 +/- 10 and 101 +/- 8%, in conventional liquid chromatography (CLC) and MLC, respectively. Repeatability and intermediate precision expressed as R.S.D. were lower than 5% for both methods. Detection limits obtained were 2.4 and 3.0 ng g(-1) in CLC and CLM, respectively. PMID:14565547

  20. Synthesis of a glioma-related ganglioside, O-Ac GM3 having 3-O-Ac ceramide and its substrate property toward hydrolases.

    PubMed

    Tsuchihashi, K; Daino, T; Akino, T; Gasa, S

    1996-10-01

    An O-acetyl group was selectively introduced into the ceramide moiety at the C-3-O on ganglioside GM3 containing N-acetyl neuraminic acid, the product of which has been previously found in rat glioma tissue as a glioma-associated ganglioside. The introduction of the acetyl residue involved a two-step process involving per O-acetylation of GM3 and saponification with a mild alkaline solution in a bilayer system constituted of water and water-immiscible organic solvent. Of the several solvents studied, 2-pentanol and diethyl ether gave the highest yields (68% and 62%, respectively). The chemical structure of the synthesized 3-O-acetyl GM3 was confirmed by proton nuclear magnetic resonance spectroscopy and fast atom bombardment-mass spectrometry, as well as by comparing the mobilities on thin-layer chromatography of its exoglycosidase-digested products with those of the synthesized, authentic 3-O-acetyl-lactosylceramide and ceramide. Furthermore, the substrate specificities of both 3-O-acetyl GM3 and 3-O-acetyl sphingomyelin toward exo- and endo-hydrolases were examined, revealing that they were hardly cleaved by the endoglycoceramidase and sphingolipid N-deacylase for the 3-O-acetyl GM3 and by sphingomyelinase for 3-O-acetyl sphingomyelin. Thus, the enzymes were found to recognize a free C-3 hydroxyl group on ceramide.

  1. Studies on the interaction between ethanol and two industrial solvents (methyl isobutyl ketone) in mice

    SciTech Connect

    Granvil, C.P.; Sharkawi, M.; Plaa, G.L. )

    1991-03-11

    Methyl n-butyl ketone (MnBK) and methyl isobutyl ketone (MiBK) prolong the duration of ethanol-induced loss of righting reflex (EILRR) in mice. MnBK was almost twice as potent in this regard. To explain this difference, the metabolism of both ketones was studied in male CD-1 mice using GC. MiBK was converted to 4-methyl-2-pentanol (4MPOL) and 4-hydroxy methyl isobutyl ketone (HMP). MnBK metabolites were 2-hexanol (2HOL) and 2,5-hexanedione (2,5HD). The effects of both ketones and metabolites on EILRR and ethanol (E) elimination were studied in mice. The ketones and their metabolites were dissolved in corn oil and injected intraperitoneally 30 min before E 4g/kg for EILRR and 2g/kg for E elimination. In the following doses: MnBK, 5; MiBK, 5; 2HOL, 2.5; 4MPOL, 2.5; and HMP 2.5, significantly prolonged EILRR. Concentrations of E in blood and brain upon return of the righting reflex were similar in solvent-treated and control animals. The mean elimination rate of E was slower in groups given MnBK or 2HOL than in control animals. No change in E elimination was observed with MiBK, HMP, 4MPOL, or 2, 5HD.

  2. Determination of trimebutine and desmethyl-trimebutine in human plasma by HPLC.

    PubMed

    Lavit, M; Saivin, S; Boudra, H; Michel, F; Martin, A; Cahiez, G; Labaune, J P; Chomard, J M; Houin, G

    2000-07-01

    A simple and sensitive HPLC method has been developed to measure trimebutine (CAS 39133-31-8, maleate: CAS 34140-59-5) and its main metabolite desmethyl-trimebutine in human plasma. The method was validated according to the Washington Consensus Conference on the Validation of Analytical Methods. It involved extraction of the plasma with n-hexane containing 2-pentanol, followed by reversed-phase HPLC using a Partisil ODS2 10 microns column and UV detection at 265 nm. The retention times of the internal standard (procaine), desmethyl-trimebutine and trimebutine were 2.4, 4.3 and 6.5 min, respectively. The standard curves were linear from 20 ng.ml-1 (limit of quantitation) to 5000 ng.ml-1 for both compounds. The coefficient of variation for all the criteria of validation were less than 15%. The extraction recoveries obtained for trimebutine and desmethyl-trimebutine were about 90%. Both compounds were very stable upon storage in plasma. The method was tested by measuring the plasma concentrations following oral administration to humans during a bioequivalence study and was shown suitable for pharmacokinetic studies. PMID:10965422

  3. Characterisation of whiskeys using solid-phase microextraction with gas chromatography-mass spectrometry.

    PubMed

    Fitzgerald, G; James, K J; MacNamara, K; Stack, M A

    2000-10-27

    The application of solid-phase microextraction and gas chromatography-mass spectrometry to the detection of flavour volatiles present in Irish and Scottish whiskeys was investigated. A method was developed to characterise these volatiles which included the extraction, identification and quantification of 17 congeners which included fusel alcohols, acetates and esters. The method validation produced the optimum fibre [85 microm poly(acrylate)], extraction time (35 min), sample volume size (3 ml) and desorption time (5 min). The impact of salt on the absorption process was also studied. Characteristic profiles were determined for each whiskey and the flavour congeners were quantified using 4-methyl-2-pentanol as the internal standard. Calibration ranges were determined for each of the congeners with coefficients of linearity ranging from 0.993 (butan-1-ol) to 0.999 (ethyl laurate) and relative standard deviations ranging from 2.5% (2-methylbutan-1-ol) to 21% (furfural) at a concentration of 18.2 mg/l. Detection limits ranged from 0.1 mg/l (ethyl caprate) to 21 mg/l (butan-2-ol). PMID:11093670

  4. Aroma composition changes in early season grapefruit juice produced from thermal concentration.

    PubMed

    Lin, Jianming; Rouseff, Russell L; Barros, Sandy; Naim, Michael

    2002-02-13

    Differences in aroma components and total volatiles between a single unpasteurized Marsh grapefruit juice and its 65 Brix concentrate reconstituted to 10 Brix were examined using GC-olfactometry (GC-O) and GC-FID. Total volatiles (FID) in the reconstituted concentrate were reduced to less than 5% of initial values, but 57% of total aroma (GC-O) remained. Forty-one aroma-active compounds were observed in unpasteurized single strength juice, whereas 27 components were found in the unflavored reconstituted concentrate. Aroma-active compounds were classified into grapefruit/sulfury, sweet/fruity, fresh/citrusy, green/fatty/metallic, and cooked/meaty groups. Five of six components in the sweet/fruity and 14 of 18 green/fatty/metallic components survived thermal concentration. However, only 4-mercapto-4-methyl-2-pentanone in the grapefruit/sulfury group, and linalool and nootkatone from the fresh/citrusy group, were found in the reconstituted concentrate. Methional was the only aroma compound in the cooked/meaty category found in both juice types. beta-Damascenone and 1-p-menthen-8-thiol were found only in the reconstituted concentrate. 4-Mercapto-4-methyl-2-pentanol was found for the first time in grapefruit juice. PMID:11829649

  5. Size and Fiber Density Controlled Synthesis of Fibrous Nanosilica Spheres (KCC-1)

    PubMed Central

    Bayal, Nisha; Singh, Baljeet; Singh, Rustam; Polshettiwar, Vivek

    2016-01-01

    We report a facile protocol for the synthesis of fibrous nano-silica (KCC-1) with controllable size and fiber density. In this work, we have shown that the particle size, fiber density, surface area and pore volume of KCC-1 can be effectively controlled and tuned by changing various reaction parameters, such as the concentrations of urea, CTAB, 1-pentanol, reaction time, temperature, solvent ratio, and even outside stirring time. For the first time, we were able to control the particle size ranging from as small as 170 nm to as large as 1120 nm. We were also able to control the fiber density from low to medium to very dense, which consequently allowed the tuning of the pore volume. We were able to achieve a pore volume of 2.18 cm3/g, which is the highest reported for such a fibrous material. Notably we were even able to increase the surface area up to 1244 m2/g, nearly double the previously reported surface area of KCC-1. Thus, one can now synthesize KCC-1 with various degrees of size, surface area, pore volume, and fiber density. PMID:27118152

  6. Temperature and viscosity dependence of the nonradiative decay rates of auramine-O and thioflavin-T in glass-forming solvents.

    PubMed

    Erez, Yuval; Amdursky, Nadav; Gepshtein, Rinat; Huppert, Dan

    2012-12-13

    Both auramine-O (AuO) and thioflavin-T (ThT) behave as fluorescent molecular rotors, meaning that their (non)radiative properties are markedly affected by the intramolecular rotation of the molecule. In this article, steady-state and time-resolved fluorescence of AuO and ThT were measured in three alcohols, 1-propanol, 1-butanol, and 1-pentanol, over a wide range of temperatures (86-260 K). These solvents are glass-forming liquids, and their viscosity and dielectric relaxation time increase by more than 10 orders of magnitude as the temperature is lowered from room temperature to ~100 K. Accordingly, the fluorescence nonradiative rates constants of AuO and ThT in these solvents decrease by about 3 orders of magnitude at the latter temperature range. We found very good correspondence between the temperature dependence of the nonradiative rate constant, k(nr), of both molecules and the dielectric relaxation rate of the solvents. The k(nr) values of AuO are twice those of ThT along the whole temperature range. The temperature dependence of k(nr) is consistent with the nonradiative model suggested by Glasbeek and co-workers.

  7. Shape-tunable hollow silica nanomaterials based on a soft-templating method and their application as a drug carrier.

    PubMed

    Chen, Jiao; Wu, Xu; Hou, Xiaodong; Su, Xingguang; Chu, Qianli; Fahruddin, Nenny; Zhao, Julia Xiaojun

    2014-12-24

    A one-step soft-templating method for synthesizing shape-tunable hollow silica nanomaterials was developed in a reliable and highly reproducible way. For the first time, both nonspherical and spherical shapes with hollow interiors, including nanowire, nanospheres, and nanotadpole, were successfully obtained by simply changing the solvent. Poly(vinylpyrrolidone) (PVP)-water droplets were used as soft templates for the formation of hollow structures, while three different solvents, including 1-propanol, 1-pentanol, and ethanol, led to the designed shapes. It was found that the solvent, the formation of PVP-water droplets, the amount of ammonia, and the reaction time had great effects on the morphology of synthesized hollow nanomaterials. The effect of various factors on the morphology was systematically studied to propose a growth mechanism. The obtained hollow silica nanomaterials showed excellent reproducibility and great potential for a large-scale synthesis. Finally, the application of the developed hollow silica nanomaterials was demonstrated using the hollow spherical silica nanoparticles. Its drug-carrying ability was studied. The results could be extended for doping various target molecules into the hollow structures for a broad range of applications.

  8. Removal of acrylic coatings from works of art by means of nanofluids: understanding the mechanism at the nanoscale

    NASA Astrophysics Data System (ADS)

    Baglioni, Michele; Rengstl, Doris; Berti, Debora; Bonini, Massimo; Giorgi, Rodorico; Baglioni, Piero

    2010-09-01

    Conservation of works of art often involves the inappropriate application of synthetic polymers. We have proposed the use of alternative methodologies for conservation and formulated innovative cleaning nanostructured systems to remove previously applied polymer films and grime from painted surfaces. In particular, a novel ``micellar system'' composed of water, SDS, 1-pentanol, ethyl acetate and propylene carbonate was recently formulated and successfully used to remove acrylic and vinyl/acrylic copolymers from Mesoamerican wall paintings in the archeological site of Cholula, Mexico. This contribution reports on the mechanism of the interaction process that takes place between the nanostructured fluid and the polymer coating at the nanoscale. The structural properties of the ``micellar solution'' and of the polymer film are investigated before, during and after the interaction process using several surface and solution techniques. Rather than a classical detergency mechanism, we demonstrate that micelles act as solvent containers and interact with the polymer film leading to its swelling and detachment from the surface and to its segregation in a liquid droplet, which phase-separates from the aqueous bulk. After the removal process the micelles become smaller in size and undergo a structural re-arrangement due to the depletion of the organic solvents. These findings can be framed in an interaction mechanism which describes the removal process, opening up new perspectives in the design and formulation of new cleaning systems specifically tailored for intervention on particular conservation issues.

  9. Anticancer Properties of Novel Rhenium Pentylcarbanato Compounds against MDA-MB-468(HTB-132) Triple Node Negative Human Breast Cancer Cell Lines

    PubMed Central

    Parson, Carl; Smith, Valerie; Krauss, Christopher; Banerjee, Hirendra N.; Reilly, Christopher; Krause, Jeanette A.; Wachira, James M.; Giri, Dipak; Winstead, Angela; Mandal, Santosh K.

    2014-01-01

    Aim To study the efficacy of novel rhenium compounds to treat triple node negative breast cancer. Place and Duration Six (6) novel rhenium pentycarbanato compounds (PC1-6) were synthesized and triple node negative breast cancer cell lines HTB-132 and Balb/c mouse kidney cell lines were treated with each of them for 48 hours. The results were analyzed by a common trypan blue cell death assay system and statistically analyzed. Place and Duration The compounds were synthesized, analyzed and evaluated at the Department of Chemistryof Morgan State University, Baltimore, Maryland and the Pharmaceutical Sciences Department of Elizabeth City State University campus of the University of North Carolina system. Methodology The novel rhenium compounds were synthesized from one-pot reactions of Re2(CO)10 with the corresponding α-diimine ligands in 1-pentanol.The compounds were characterized spectroscopically. The cell lines were cultured by standard cell culture procedure and treated with each of the six compounds in DMSO for 48 hours with a negative control and a DMSO vehicular control along with a cisplatin positive control.The cytotoxicity was evaluated by standard trypan blue assay and the results were statistically analyzed. Results The trypan blueassay reveals that these compounds have significant cytotoxicity against MDA-MB-468 (HTB-132) triple node negative breast cancer cell lines and are less nephrotoxic than cisplatin. Conclusion The novel rhenium compounds PC 1-6 can potentially find applications in the treatment of highly malignant triple node negative breast cancer. PMID:25419517

  10. Rapid ester biosynthesis screening reveals a high activity alcohol-O-acyltransferase (AATase) from tomato fruit.

    PubMed

    Lin, Jyun-Liang; Zhu, Jie; Wheeldon, Ian

    2016-05-01

    Ethyl and acetate esters are naturally produced in various yeasts, plants, and bacteria. The biosynthetic pathways that produce these esters share a common reaction step, the condensation of acetyl/acyl-CoA with an alcohol by alcohol-O-acetyl/acyltransferase (AATase). Recent metabolic engineering efforts exploit AATase activity to produce fatty acid ethyl esters as potential diesel fuel replacements as well as short- and medium-chain volatile esters as fragrance and flavor compounds. These efforts have been limited by the lack of a rapid screen to quantify ester biosynthesis. Enzyme engineering efforts have also been limited by the lack of a high throughput screen for AATase activity. Here, we developed a high throughput assay for AATase activity and used this assay to discover a high activity AATase from tomato fruit, Solanum lycopersicum (Atf-S.l). Atf1-S.l exhibited broad specificity towards acyl-CoAs with chain length from C4 to C10 and was specific towards 1-pentanol. The AATase screen also revealed new acyl-CoA substrate specificities for Atf1, Atf2, Eht1, and Eeb1 from Saccharomyces cerevisiae, and Atf-C.m from melon fruit, Cucumis melo, thus increasing the pool of characterized AATases that can be used in ester biosynthesis of ester-based fragrance and flavor compounds as well as fatty acid ethyl ester biofuels. PMID:26814045

  11. Nucleation of ethanol, propanol, butanol, and pentanol: A systematic experimental study along the homologous series

    NASA Astrophysics Data System (ADS)

    Manka, Alexandra A.; Wedekind, Jan; Ghosh, David; Höhler, Kristina; Wölk, Judith; Strey, Reinhard

    2012-08-01

    We present homogeneous vapor-liquid nucleation rates of the 1-alcohols (CnH2n+1OH, n = 2-4) measured in the well-established two-valve nucleation pulse chamber as well as in a novel one-piston nucleation pulse chamber at temperatures between 235 and 265 K. The nucleation rates and critical cluster sizes show a very systematic behavior with respect to the hydrocarbon chain length of the alcohol, just as their thermo-physical parameters such as surface tension, vapor pressure, and density would suggest. For all alcohols, except ethanol, predictions of classical nucleation theory lie several orders of magnitude below the experimental results and show a strong temperature-dependence typically found in nucleation experiments. The more recent Reguera-Reiss theory [J. Phys. Chem. B 108(51), 19831 (2004)] achieves reasonably good predictions for 1-propanol, 1-butanol, and 1-pentanol, and independent of the temperature. Ethanol, however, clearly shows the influence of strong association between molecules even in the vapor phase. We also scaled all experimental results with classic nucleation theory to compare our data with other data from the literature. We find the same overall temperature trend for all measurement series together but inverted and inconsistent temperature trends for individual 1-propanol and 1-butanol measurements in other devices. Overall, our data establishe a comprehensive and reliable data set that forms an ideal basis for comparison with nucleation theory.

  12. Management of postharvest grape withering to optimise the aroma of the final wine: A case study on Amarone.

    PubMed

    Bellincontro, A; Matarese, F; D'Onofrio, C; Accordini, D; Tosi, E; Mencarelli, F

    2016-12-15

    Amarone wine is different from regular dry wine due to the postharvest withering of Corvina, Corvinone and Rondinella grapes. Grapes were withered in a commercial facility with variability in terms of temperature and relative humidity (R.H.). Sugar content reached 230-240gL(-1) and 280gL(-1) at 20% and 30% mass loss, respectively. Most of VOCs (volatile organic compounds) decreased during withering but few VOCs increased during withering and we considered as markers; in Corvinone they were methylhexanoate, dimethylsuccinate, nerol, nonanoic acid, and benzyl alcohol; in Corvina, benzyl alcohol, isoamyl alcohol, 1-hexanol, p-cymen-8-ol, 2,3 pinanediol, 3-oxo-ionol and 3-methyl-1-pentanol, coumaran and damascenone; in Rondinella, hexanol, nonanoic acid, methyl vanillate, damascenone, 3-oxo-ionol, eugenol, p-cymen-8-ol, 2,3 pinanediol, coumaran and raspberry keton. Olfactive descriptors of the wines and the potential aroma of the combination of Corvina wine with the wines of the other two varieties at different percentages of mass loss are reported.

  13. On the Investigation of Coarse-Grained Models for Water: Balancing Computational Efficiency and the Retention of Structural Properties

    PubMed Central

    Hadley, Kevin R.; McCabe, Clare

    2010-01-01

    Developing accurate models of water for use in computer simulations is important for the study of many chemical and biological systems, including lipid bilayer self-assembly. The large temporal and spatial scales needed to study such self-assembly have led to the development and application of coarse-grained models for the lipid-lipid, lipid-solvent and solvent-solvent interactions. Unfortunately, popular center-of-mass-based coarse-graining techniques are limited to modeling water with one-water per bead. In this work, we have utilized the K-means algorithm to determine the optimal clustering of waters to allow the mapping of multiple waters to single coarse-grained beads. Through the study of a simple mixture between water and an amphiphilic solute (1-pentanol), we find a 4-water bead model has the optimal balance between computational efficiency and accurate solvation and structural properties when compared to water models ranging from 1 to 9 waters per bead. The 4-water model was subsequently utilized in studies of the solvation of hexadecanoic acid and the structure, as measured via radial distribution functions, for the hydrophobic tails and the bulk water phase were found to agree well with experimental data and their atomistic targets. PMID:20230012

  14. An endophyte of Picrorhiza kurroa Royle ex. Benth, producing menthol, phenylethyl alcohol and 3-hydroxypropionic acid, and other volatile organic compounds.

    PubMed

    Qadri, Masroor; Deshidi, Ramesh; Shah, Bhawal Ali; Bindu, Kushal; Vishwakarma, Ram A; Riyaz-Ul-Hassan, Syed

    2015-10-01

    An endophytic fungus, PR4 was found in nature associated with the rhizome of Picrorhiza kurroa, a high altitude medicinal plant of Kashmir Himalayas. The fungus was found to inhibit the growth of several phyto-pathogens by virtue of its volatile organic compounds (VOCs). Molecular phylogeny, based on its ITS1-5.8S-ITS2 ribosomal gene sequence, revealed the identity of the fungus as Phomopsis/Diaporthe sp. This endophyte was found to produce a unique array of VOCs, particularly, menthol, phenylethyl alcohol, (+)-isomenthol, β-phellandrene, β-bisabolene, limonene, 3-pentanone and 1-pentanol. The purification of compounds from the culture broth of PR4 led to the isolation of 3-hydroxypropionic acid (3-HPA) as a major metabolite. This is the first report of a fungal culture producing a combination of biologically and industrially important metabolites—menthol, phenylethyl alcohol, and 3-HPA. The investigation into the monoterpene biosynthetic pathway of PR4 led to the partial characterization of isopiperitenone reductase (ipr) gene, which seems to be significantly distinct from the plant homologue. The biosynthesis of plant-like-metabolites, such as menthol, is of significant academic and industrial significance. This study indicates that PR4 is a potential candidate for upscaling of menthol, phenylethyl alcohol, and 3-HPA, as well as for understanding the menthol/monoterpene biosynthetic pathway in fungi. PMID:26220851

  15. Microemulsion-enhanced remediation of soils contaminated with organochlorine pesticides.

    PubMed

    Zhang, Yanlin; Wong, Jonathan W C; Zhao, Zhenyong; Selvam, Ammaiyappan

    2011-12-01

    Soil contaminated by organic pollutants, especially chlorinated aromatic compounds such as DDT (1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane), is an environmental concern because of the strong sorption of organochlorine pesticide onto the soil matrix and persistence in the environment. The remediation of organochlorine pesticide contaminated soils through microemulsion is an innovative technology to expedite this process. The remediation efficiency was evaluated by batch experiments through studying the desorption of DDT and hexachlorocyclohexane (y-HCH) and sorption of microemulsion composed of Triton X-100, 1-pentanol and linseed oil in the soil-surfactant-water suspension system. The reduction of desorption efficiency caused by the sorption loss of microemulsion components onto the soil could be corrected by the appropriate adjustment of C/S (Cosurfactant/Surfactant) and O/S (Oil/Surfactant) ratio. The C/S and O/S ratios of 1:2 and 3:20 were suitable to desorb DDT and gamma-HCH from the studied soils because of the lower sorption of Triton X-100 onto the soil. Inorganic salts added in microemulsion increased the pesticides desorption efficiency of pesticides and calcium chloride has a stronger ability to enhance the desorption of DDT than sodium chloride. From the remediation perspective, the balance of surfactant or cosurfactant sorbed to soil and desorption efficiency should be taken into consideration to enhance the remediation of soils contaminated by organochlorine pesticides.

  16. Dielectric barrier discharge carbon atomic emission spectrometer: universal GC detector for volatile carbon-containing compounds.

    PubMed

    Han, Bingjun; Jiang, Xiaoming; Hou, Xiandeng; Zheng, Chengbin

    2014-01-01

    It was found that carbon atomic emission can be excited in low temperature dielectric barrier discharge (DBD), and an atmospheric pressure, low power consumption, and compact microplasma carbon atomic emission spectrometer (AES) was constructed and used as a universal and sensitive gas chromatographic (GC) detector for detection of volatile carbon-containing compounds. A concentric DBD device was housed in a heating box to increase the plasma operation temperature to 300 °C to intensify carbon atomic emission at 193.0 nm. Carbon-containing compounds directly injected or eluted from GC can be decomposed, atomized, and excited in this heated DBD for carbon atomic emission. The performance of this new optical detector was first evaluated by determination of a series of volatile carbon-containing compounds including formaldehyde, ethyl acetate, methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol, and absolute limits of detection (LODs) were found at a range of 0.12-0.28 ng under the optimized conditions. Preliminary experimental results showed that it provided slightly higher LODs than those obtained by GC with a flame ionization detector (FID). Furthermore, it is a new universal GC detector for volatile carbon-containing compounds that even includes those compounds which are difficult to detect by FID, such as HCHO, CO, and CO2. Meanwhile, hydrogen gas used in conventional techniques was eliminated; and molecular optical emission detection can also be performed with this GC detector for multichannel analysis to improve resolution of overlapped chromatographic peaks of complex mixtures. PMID:24328147

  17. High efficiency solution processed fluorescent yellow organic light-emitting diode through fluorinated alcohol treatment at the emissive layer/cathode interface

    NASA Astrophysics Data System (ADS)

    Ng, Calvin Yi Bin; Yeoh, Keat Hoe; Whitcher, Thomas J.; Azrina Talik, Noor; Woon, Kai Lin; Saisopa, Thanit; Nakajima, Hideki; Supruangnet, Ratchadaporn; Songsiriritthigul, Prayoon

    2014-01-01

    We compare solvent treatments using fluorinated alcohol (2,2,3,3,4,4,5,5-octafluoro- 1-pentanol) and ethanol in improving the efficiency of a polymer organic light-emitting diode (OLED) by spin coating the solvent on top of the emissive layer. The presence of fluorinated alcohol is confirmed using x-ray photoelectron spectroscopy. The electron current is found to be significantly enhanced following solvent treatment while the hole current remains the same. The solvent treatment by fluorinated alcohol on top of a ‘super-yellow’ poly-(p-phenylenevinylene) (SY-PPV) based OLED results in efficiency as high as 19.2 lm W-1 (20.9 cd A-1) at a brightness of 1000 cd m-2. The improvement of device efficiency through the use of fluorinated alcohol treatment can be attributed to its large dipole, which lowers the electron injection barrier. This work also suggests that fluorinated alcohol might be a better trap passivator for electrons than ethanol.

  18. Monitoring of HAART regime antiretrovirals in serum of acquired immunodeficiency syndrome patients by micellar liquid chromatography.

    PubMed

    Casas-Breva, I; Peris-Vicente, J; Rambla-Alegre, M; Carda-Broch, S; Esteve-Romero, J

    2012-09-21

    A methodology based on micellar liquid chromatography to monitor five antiretroviral drugs (lamivudine, stavudine, tenofovir, zidovudine and efavirenz) was proposed. Antiretrovirals were studied in sets of three, corresponding to each highly active antiretroviral therapy (HAART) regime, prescribed to acquired immunodeficiency syndrome (AIDS)-infected patients. Four aqueous micellar mobile phases buffered at pH 7 were optimized to separate these compounds, using sodium dodecyl sulfate as the tensioactive, and 1-propanol or 1-pentanol as the organic modifier. The composition of each mobile phase was optimized for each antiretroviral. The common separation conditions were: C18 apolar column (125 × 4.6 mm, 5 μm particle size), UV detection set at 214 nm, and mobile phase running at 1 mL min(-1) without controlling the temperature. The finally suggested method was validated for five analysed antiretroviral drugs following the US Food and Drug Administration guidelines in terms of: linearity between 0.5 and 50 ppm (r(2) > 0.9995), sensitivity (LOD lower than 0.25 ppm), intra- and inter-day precision (<7.1 and <5.2%, respectively) and accuracy (recovery 88.5-105.3% and 93.5-101.3%, respectively), as well as robustness (<6.5%). The proposed method was used to monitor the level of antiretrovirals in the serum of AIDS patients. The suggested methodology was found to be useful in the routine analysis of antiretrovirals in serum samples.

  19. Analysis of volatile compounds and triglycerides of seed oils extracted from different poppy varieties (Papaver somniferum L.).

    PubMed

    Krist, Sabine; Stuebiger, Gerald; Unterweger, Heidrun; Bandion, Franz; Buchbauer, Gerhard

    2005-10-19

    Poppy seed oil (Oleum Papaveris Seminis) is used for culinary and pharmaceutical purposes, as well as for making soaps, paints, and varnishes. Astonishingly, hardly anything was yet known about the volatile compounds of this promising comestible. Likewise, there are no current published data about the triglyceride (TAG) composition of poppy seed oils available. In this investigation solid-phase microextraction (SPME) with DVB/Carboxen/PDMS Stable-Flex fiber was applied to the study of volatile compounds of several seed oil samples from Papaver somniferum L. (Papaveraceae). 1-Pentanol (3.3-4.9%), 1-hexanal (10.9-30.9%), 1-hexanol (5.3-33.7%), 2-pentylfuran (7.2-10.0%), and caproic acid (2.9-11.5%) could be identified as the main volatile compounds in all examined poppy seed oil samples. Furthermore, the TAG composition of these oils was analyzed by MALDI-ReTOF- and ESI-IT-MS/MS. The predominant TAG components were found to be composed of linoleic, oleic, and palmitic acid, comprising approximately 70% of the oils. TAG patterns of the different poppy varieties were found to be very homogeneous, showing also no significant differences in terms of the applied pressing method of the plant seeds.

  20. Effect of Fresh Garlic on Lipid Oxidation and Microbiological Changes of Pork Patties during Refrigerated Storage

    PubMed Central

    2014-01-01

    The effects of two levels (1.4 vs 2.8%) of fresh garlic on lipid oxidation and microbial growth in pork patties were evaluated. Hunter color (L, a, b), pH, thiobarbituric acid reactive substances (TBARS), oxidative volatile compounds, total bacteria and Enterobacteriaceae in the pork patties with or without fresh garlic were measured during storage at 4℃. Addition of fresh garlic decreased redness (a), while increased pH and yellowness (b) values of the fresh pork patties were observed, regardless of the levels added. The TBARS values of the pork patties were increased with the addition of fresh garlic (p<0.05). Similar results were observed in oxidative volatile compounds. A total of 13 volatile compounds were detected in the patties (5 sulfur-containing compounds, including allyl mercaptan, allyl methyl sulfide, diallyl sulfide, methyl-(E)-propenyl-disulfide, and diallyl disulfide, and the 8 other oxidative compounds, including 1-pentanol, hexanal, 1-hexanol, heptanal, (E)-2-heptenal, 1-octen-3-ol, (E)-2-octenal and nonanal). Fresh garlic accelerated development of oxidative products in the pork patties, especially hexanal and the total oxidative volatile compounds. However, the addition of 1.4 and 2.8% of fresh garlic inhibited the growth of total bacteria and Enterobacteriaceae, indicating low total bacterial counts and Enterobacteriaceae than the controls. PMID:26761498

  1. Synthesis and chemical modifications of in-situ grown anatase TiO2 microspheres with isotropically exposed {0 0 1} facets for superhydrophobic and self-cleaning properties

    NASA Astrophysics Data System (ADS)

    Hu, Wanbiao; Yu, Yuanlie; Chen, Hua; Lau, Kenny; Craig, Vincent; Brink, Frank; Withers, Ray L.; Liu, Yun

    2015-12-01

    Excellent and robust hydrophobic materials generally benefit from specifically exposed surfaces i.e. always the low-energy surfaces, and well-defined micro/nano-structures that are achieved through advanced facilities and complicated process with a high cost. We hereof demonstrate that the superhydrophobicity and further self-cleaning properties are also attainable based on high-energy crystalline facets by an appropriate chemical modification. Specifically, anatase TiO2 microspheres were large-scale synthesized to exhibit isotropically exposed high-energy {0 0 1} facets through optimizing the HF/H2O2/H2O ratio during hydrothermal processes. The formation of the microspheres was uncovered to be an in-situ "growth-cum-assembly" grown mechanism. Such high-energy {0 0 1} facets facilitate the strong coupling between the resultant TiO2 microspheres and the modifier (2,2,3,3,4,4,5,5-octafluoro-1-pentanol) because the {0 0 1} facets offer abundant active sites for chemical bonding, showing great merits for superhydrophobicity (with water contact angle of 154 ± 2°, 6 μl droplets), and further stably surface self-cleaning i.e. easily removing surface contamination (e.g. Al2O3 powders). This integrated strategy represents a milestone in design and fabrication of delicate composites with high-energy surfaces for specific functions and properties.

  2. Management of postharvest grape withering to optimise the aroma of the final wine: A case study on Amarone.

    PubMed

    Bellincontro, A; Matarese, F; D'Onofrio, C; Accordini, D; Tosi, E; Mencarelli, F

    2016-12-15

    Amarone wine is different from regular dry wine due to the postharvest withering of Corvina, Corvinone and Rondinella grapes. Grapes were withered in a commercial facility with variability in terms of temperature and relative humidity (R.H.). Sugar content reached 230-240gL(-1) and 280gL(-1) at 20% and 30% mass loss, respectively. Most of VOCs (volatile organic compounds) decreased during withering but few VOCs increased during withering and we considered as markers; in Corvinone they were methylhexanoate, dimethylsuccinate, nerol, nonanoic acid, and benzyl alcohol; in Corvina, benzyl alcohol, isoamyl alcohol, 1-hexanol, p-cymen-8-ol, 2,3 pinanediol, 3-oxo-ionol and 3-methyl-1-pentanol, coumaran and damascenone; in Rondinella, hexanol, nonanoic acid, methyl vanillate, damascenone, 3-oxo-ionol, eugenol, p-cymen-8-ol, 2,3 pinanediol, coumaran and raspberry keton. Olfactive descriptors of the wines and the potential aroma of the combination of Corvina wine with the wines of the other two varieties at different percentages of mass loss are reported. PMID:27451194

  3. Enhancement of Curcumin Fluorescence by Ascorbic Acid in Bicontinuous Microemulsion.

    PubMed

    Iwunze, Maurice O

    2015-07-01

    Steady-state fluorescence spectro-photometric technique is used in this work to determine the chemical parameters of the complex formed between curcumin and ascorbic acid in bicontinuous microemuslion (Bμen). The Bμen liquid used is made up of a four-components system (water-oil-surfactant and co-surfactant (1-pentanol)) in the ratio of 42.11:13.7:21.34:22.85 % w/w. The oil and surfactant used are tetradecane and cetyltrimethylammonium bromide. Curcumin is known to have low solubility in water, but liberally soluble in Bμen, hence the use of Bμen in this study. The observed fluorescence intensity of curcumin was enhanced by introduction of ascorbic acid to the curcumin solution. The increase in the fluorescence intensity showed a very good linearity with a regression coefficient of 0.9974. The association constant, Ka, that resulted between curcumin and ascorbic acid was calculated as 2.15 × 10(4) with the free energy of association, ∆Ga, of -24.71 kJ/mol. The ratio of the complex that was formed by these two molecules was determined as 1:1. PMID:25943984

  4. Characterizing Olfactory Perceptual Similarity Using Carbon Chain Discrimination in Fischer 344 Rats

    PubMed Central

    2014-01-01

    Performance on olfactory tests can be influenced by a number of stimulus characteristics including chemical structure, concentration, perceptual similarity, and previous experience with the test odorants. Few of these parameters have been extensively characterized in the Fischer 344 rat strain. To investigate how odor quality affects perception in this rat strain, we measured how graded perceptual similarity, created by varying carbon chain length across a series of homologous alcohol pairs, influenced odor discrimination using a liquid-motivated go/no-go task. We employed an automated, liquid-dilution olfactometer to train Fischer 344 rats (N = 8) on a 2-odor discrimination task. Six odorants (1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, and 1-octanol) were arranged to produce 15 novel odorant pairs differing between 1 and 5 carbon atoms; testing sessions included presentation of only 1 pseudorandomly assigned pair daily (200 trials). Results show that although rats can learn to discriminate between any 2 odorant pairs, performance declines systematically as the pairs become more structurally similar and, therefore, more perceptually confusing. As such, the easier discrimination pairs produced reliable ceiling effects across all rats, whereas performance for the difficult discrimination pairs was consistently worse, even after repeated testing. These data emphasize the importance of considering odorant stimulus dimensions in experimental designs employing olfactory stimuli. Moreover, establishing baseline olfactory performance in Fischer 344 rats may be particularly useful for predicting age-related cognitive decline in this model. PMID:24488965

  5. Determination of paroxetine in blood and urine using micellar liquid chromatography with electrochemical detection.

    PubMed

    Agrawal, Nitasha; Marco-Peiró, Sergio; Esteve-Romero, Josep; Durgbanshi, Abhilasha; Bose, Devasish; Peris-Vicente, Juan; Carda-Broch, Samuel

    2014-01-01

    Paroxetine is a potent selective serotonin reuptake inhibitor used for the treatment of depression and related mood disorders. A micellar liquid chromatographic method was developed for the determination of paroxetine in serum and urine. Detection of paroxetine was carried out using a C18 column and a mobile phase of 0.15 M sodium dodecyl sulfate, 6% 1-pentanol at pH 3 (buffer salt 0.01 M NaH2PO4) running under isocratic mode at 1.0 mL/min and electrochemical detection at 0.8 V. The analyte was eluted without interferences in <15 min. The proposed methodology was validated under the guidelines of the International Conference on Harmonization of Technical Requirements for Registration of Pharmaceuticals for Human Use in matrix in terms of specificity, linearity (r(2) > 0.9999; 0.5-5 μg/mL range), accuracy (88-97.5%, recovery), repeatability (RSD < 0.54%), intermediate precision (RSD < 0.54%), limit of detection and quantification (0.001 and 0.005 μg/mL, respectively) and robustness (RSD < 3.63%). Developed method was successfully applied to real blood and urine samples as well as in spiked serum and urine samples. The developed method was specific, rapid, precise, reliable, accurate, inexpensive and then suitable for routine analysis of paroxetine in monitorized samples.

  6. Oil-in-water microemulsions enhance the biodegradation of DDT by Phanerochaete chrysosporium.

    PubMed

    Zheng, Guanyu; Selvam, Ammaiyappan; Wong, Jonathan W C

    2012-12-01

    A novel approach was developed using oil-in-water (O/W) microemulsions formed with non-ionic surfactant, cosurfactant (1-pentanol) and linseed oil, at the cosurfactant to surfactant ratio (C/S ratio, w/w) of 1:3 and oil to surfactant ratio (O/S ratio, w/w) of 1:10, to enhance the biodegradation of DDT by the white rot fungus Phanerochaete chrysosporium. Results showed that microemulsions formed with Tween 80 effectively enhanced the biodegradation of DDT by P. chrysosporium and the enhancement was about two times that of Tween 80 solution, while microemulsion formed with Triton X-100 exhibited negative effect. Further studies revealed that microemulsion formed with Tween 80 enhanced the biodegradation of DDT through transporting DDT from crystalline phase to mycelium as well as their positive effect on the growth of P. chrysosporium; of these, the former is likely the most important and pre-requisite for the biodegradation of DDT by P. chrysosporium.

  7. Improvement of the Dimensional Stability of Powder Injection Molded Compacts by Adding Swelling Inhibitor into the Debinding Solvent

    NASA Astrophysics Data System (ADS)

    Fan, Yang-Liang; Hwang, Kuen-Shyang; Su, Shao-Chin

    2008-02-01

    Defects are frequently found in powder injection molded (PIM) compacts during solvent debinding due to the swelling of the binders. This problem can be alleviated by adjusting the composition of the debinding solvent. In this study, 10 vol pct swelling inhibitors were added into heptane, and the in-situ amounts of swelling and sagging of the specimen in the solvent were recorded using a noncontacting laser dilatometer. The results show that the addition of ethanol, 2-propanol, 1-butanol, and 1-pentanol reduced the amounts of swelling by 31, 21, 17, and 11 pct, respectively. This was because the small molecule alcohols, which do not dissolve paraffin wax (PW) or stearic acid (SA) in the binder system, could diffuse easily into the specimen and increased the portion of the swelling inhibitor inside. The amount of the extracted PW and SA also decreased, but only by 8.3, 6.1, 4.3, and 2.4 pct, respectively. The solubility parameters of 1-bromopropane (n-PB) and ethyl acetate (EA) are between those of heptane and alcohols, and they also yielded a slight reduction in the amounts of swelling by 6 and 11 pct, respectively. These results suggest that to reduce defects caused by binder swelling during solvent debinding, alcohols with high solubility parameters can be added into heptane without sacrificing significantly on the debinding rate.

  8. Use of micellar liquid chromatography for rapid monitoring of fungicides post harvest applied to citrus wastewater.

    PubMed

    Peris-Vicente, Juan; Marzo-Mas, Ana; Roca-Genovés, Pasqual; Carda-Broch, Samuel; Esteve-Romero, Josep

    2016-04-01

    A method based on micellar liquid chromatography has been developed to simultaneously monitor four pesticides largely post-harvest applied to citrus: thiabendazole, pyrimethanil, o-phenylphenol and imazalil. Water samples were filtered and directly injected without other treatment, thus avoiding extraction steps. The composition of the mobile phase was optimized using a chemometrical approach to achieve and excellent resolution to 0.07 mol/L SDS/5%, V/V 1-pentanol buffered at pH3. Mobile phase run through a C18 column at 1 mL/min at room temperature. The detection was performing by UV-Visible absorbance using a wavelength program: 0-10 min, 305 nm (for thiabendazole); 10-12; 265 nm (for pyrimethanil) and 12-18, 220 nm (o-phenylphenol and imazalil). The developed method was validated following the guidelines of the US Environmental Protection Agency in terms of: quantitation range, (0.5-4 to 15 μg/mL), linearity (r(2)>0.9995), sensitivity (LOD, 0.18-1.4 μg/mL), precision (<9.2%), trueness (93.9%-103.7%), and ruggedness (<9.9%). It was found that the fungicides remain up to eight days in surface water at outdoor conditions. The method was used to screen the presence of the analytes in several waste water samples, and was proved to be useful in routine analysis. PMID:27090721

  9. Size and Fiber Density Controlled Synthesis of Fibrous Nanosilica Spheres (KCC-1)

    NASA Astrophysics Data System (ADS)

    Bayal, Nisha; Singh, Baljeet; Singh, Rustam; Polshettiwar, Vivek

    2016-04-01

    We report a facile protocol for the synthesis of fibrous nano-silica (KCC-1) with controllable size and fiber density. In this work, we have shown that the particle size, fiber density, surface area and pore volume of KCC-1 can be effectively controlled and tuned by changing various reaction parameters, such as the concentrations of urea, CTAB, 1-pentanol, reaction time, temperature, solvent ratio, and even outside stirring time. For the first time, we were able to control the particle size ranging from as small as 170 nm to as large as 1120 nm. We were also able to control the fiber density from low to medium to very dense, which consequently allowed the tuning of the pore volume. We were able to achieve a pore volume of 2.18 cm3/g, which is the highest reported for such a fibrous material. Notably we were even able to increase the surface area up to 1244 m2/g, nearly double the previously reported surface area of KCC-1. Thus, one can now synthesize KCC-1 with various degrees of size, surface area, pore volume, and fiber density.

  10. The solubility of hydrophobic aromatic chemicals in organic solvent/water mixtures

    SciTech Connect

    Dickhut, R.M.

    1989-01-01

    The influence of dissolved organic solvents on the aqueous phase solubility of hydrophobic aromatic chemicals was investigated. To provide a basis for a comprehensive evaluation of the importance of cosolvent properties on solubility, the effects of several different organic cosolvents on the solubility of a model hydrophobic solute, naphthalene, were determined. Naphthalene solubility was measured in binary, ternary, and quaternary alcohol/water (methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol) mixtures, binary ketone/water (acetone, methylethylketone, diethylketone), and aromatic organic solvent/water (benzene, toluene) mixtures. The solubility data were statistically evaluated and used to obtain an estimate of the overall accuracy of solubility measurements of hydrophobic chemicals in organic solvent/water mixtures. An accurate data base for mixed solvent solubility was established by combining the solubility data with additional solubility data obtained experimentally and from the literature. Thermodynamic models for predicting solubility in organic solvent/water mixtures were tested against the experimental data. The effects of organic cosolvent properties and solute hydrophobicity on solubility behavior and model predictive capability were evaluated. The results were used to evaluate the accuracy of existing models for predicting solubility and to explore possible molecular interactions in organic solvent/water mixtures.

  11. Control over the color transition behavior of polydiacetylene vesicles using different alcohols.

    PubMed

    Pattanatornchai, Thanutpon; Charoenthai, Nipaphat; Wacharasindhu, Sumrit; Sukwattanasinitt, Mongkol; Traiphol, Rakchart

    2013-02-01

    In this contribution, we investigate the color transition behavior of polydiacetylene (PDA) vesicles upon exposure to different chemical stimuli. A series of linear and branched alcohols are used as model additives, allowing systematic control of their molecular shape and polarity. The PDA vesicles are fabricated by using three monomers, 10,12-pentacosadiynoic acid (PCDA), 10,12-tricosadyinoic acid (TCDA), and N-(2-amino ethyl)pentacosa-10,12-dyinamide (AEPCDA). When a series of linear alcohols is used, the longer alcohol length causes color transition of all PDA vesicles. In this system, the penetration of linear alcohols into the inner layer of PDA vesicles is dictated by their polarity. The change of -OH position within the alcohol molecule also affects the degree of penetration. It requires a higher amount of the 2-propanol to induce color transitions of the PDAs compared to that of the 1-propanol. The addition of methyl branches into the hydrophobic tail of alcohols causes an increase in steric effect, which hinders the penetration as well. When the 2,2-dimethyl-1-propanol is used as a stimulus, the color transition of PDAs occurs at much higher alcohol concentration compared to 2-methyl-1-butanol, 3-methyl-1-butanol, and 1-pentanol. The variation of PDA structures also affects their ability to interact with the alcohols. The modified head group of poly(AEPCDA) promotes the ability to distinguish between 1-propanol and 2-propanol or 1-propanol and ethanol.

  12. Fractionation and identification of minor and aroma-active constituents in Kangra orthodox black tea.

    PubMed

    Joshi, Robin; Gulati, Ashu

    2015-01-15

    The aroma constituents of Kangra orthodox black tea were isolated by simultaneous distillation extraction (SDE), supercritical fluid extraction and beverage method. The aroma-active compounds were identified using gas chromatography-olfactometry-mass spectrometry. Geraniol, linalool, (Z/E)-linalool oxides, (E)-2-hexenal, phytol, β-ionone, hotrienol, methylpyrazine and methyl salicylate were major volatile constituents in all the extracts. Minor volatile compounds in all the extracts were 2-ethyl-5-methylpyrazine, ethylpyrazine, 2-6,10,14-trimethyl-2-pentadecanone, acetylfuran, hexanoic acid, dihydroactinidiolide and (E/Z)-2,6-nonadienal. The concentrated SDE extract was fractionated into acidic, basic, water-soluble and neutral fractions. The neutral fraction was further chromatographed on a packed silica gel column eluted with pentane and diethyl ether to separate minor compounds. The aroma-active compounds identified using gas chromatography-olfactometry-mass spectrometry were 2-amylfuran, (E/Z)-2,6-nonadienal, 1-pentanol, epoxylinalool, (Z)-jasmone, 2-acetylpyrrole, farnesyl acetone, geranyl acetone, cadinol, cubenol and dihydroactinidiolide. AEDA studies showed 2-hexenal, 3-hexenol, ethylpyrazine, (Z/E)-linalool oxides, linalool, (E/Z)-2,6-nonadienal, geraniol, phenylethanol, β-ionone, hotrienol and dihydroactinidiolide to be odour active components.

  13. An endophyte of Picrorhiza kurroa Royle ex. Benth, producing menthol, phenylethyl alcohol and 3-hydroxypropionic acid, and other volatile organic compounds.

    PubMed

    Qadri, Masroor; Deshidi, Ramesh; Shah, Bhawal Ali; Bindu, Kushal; Vishwakarma, Ram A; Riyaz-Ul-Hassan, Syed

    2015-10-01

    An endophytic fungus, PR4 was found in nature associated with the rhizome of Picrorhiza kurroa, a high altitude medicinal plant of Kashmir Himalayas. The fungus was found to inhibit the growth of several phyto-pathogens by virtue of its volatile organic compounds (VOCs). Molecular phylogeny, based on its ITS1-5.8S-ITS2 ribosomal gene sequence, revealed the identity of the fungus as Phomopsis/Diaporthe sp. This endophyte was found to produce a unique array of VOCs, particularly, menthol, phenylethyl alcohol, (+)-isomenthol, β-phellandrene, β-bisabolene, limonene, 3-pentanone and 1-pentanol. The purification of compounds from the culture broth of PR4 led to the isolation of 3-hydroxypropionic acid (3-HPA) as a major metabolite. This is the first report of a fungal culture producing a combination of biologically and industrially important metabolites—menthol, phenylethyl alcohol, and 3-HPA. The investigation into the monoterpene biosynthetic pathway of PR4 led to the partial characterization of isopiperitenone reductase (ipr) gene, which seems to be significantly distinct from the plant homologue. The biosynthesis of plant-like-metabolites, such as menthol, is of significant academic and industrial significance. This study indicates that PR4 is a potential candidate for upscaling of menthol, phenylethyl alcohol, and 3-HPA, as well as for understanding the menthol/monoterpene biosynthetic pathway in fungi.

  14. Contribution of liver alcohol dehydrogenase to metabolism of alcohols in rats.

    PubMed

    Plapp, Bryce V; Leidal, Kevin G; Murch, Bruce P; Green, David W

    2015-06-01

    The kinetics of oxidation of various alcohols by purified rat liver alcohol dehydrogenase (ADH) were compared with the kinetics of elimination of the alcohols in rats in order to investigate the roles of ADH and other factors that contribute to the rates of metabolism of alcohols. Primary alcohols (ethanol, 1-propanol, 1-butanol, 2-methyl-1-propanol, 3-methyl-1-butanol) and diols (1,3-propanediol, 1,3-butanediol, 1,4-butanediol, 1,5-pentanediol) were eliminated in rats with zero-order kinetics at doses of 5-20 mmol/kg. Ethanol was eliminated most rapidly, at 7.9 mmol/kgh. Secondary alcohols (2-propanol-d7, 2-propanol, 2-butanol, 3-pentanol, cyclopentanol, cyclohexanol) were eliminated with first order kinetics at doses of 5-10 mmol/kg, and the corresponding ketones were formed and slowly eliminated with zero or first order kinetics. The rates of elimination of various alcohols were inhibited on average 73% (55% for 2-propanol to 90% for ethanol) by 1 mmol/kg of 4-methylpyrazole, a good inhibitor of ADH, indicating a major role for ADH in the metabolism of the alcohols. The Michaelis kinetic constants from in vitro studies (pH 7.3, 37 °C) with isolated rat liver enzyme were used to calculate the expected relative rates of metabolism in rats. The rates of elimination generally increased with increased activity of ADH, but a maximum rate of 6±1 mmol/kg h was observed for the best substrates, suggesting that ADH activity is not solely rate-limiting. Because secondary alcohols only require one NAD(+) for the conversion to ketones whereas primary alcohols require two equivalents of NAD(+) for oxidation to the carboxylic acids, it appears that the rate of oxidation of NADH to NAD(+) is not a major limiting factor for metabolism of these alcohols, but the rate-limiting factors are yet to be identified.

  15. Bacterial degradation of tert-amyl alcohol proceeds via hemiterpene 2-methyl-3-buten-2-ol by employing the tertiary alcohol desaturase function of the Rieske nonheme mononuclear iron oxygenase MdpJ.

    PubMed

    Schuster, Judith; Schäfer, Franziska; Hübler, Nora; Brandt, Anne; Rosell, Mònica; Härtig, Claus; Harms, Hauke; Müller, Roland H; Rohwerder, Thore

    2012-03-01

    Tertiary alcohols, such as tert-butyl alcohol (TBA) and tert-amyl alcohol (TAA) and higher homologues, are only slowly degraded microbially. The conversion of TBA seems to proceed via hydroxylation to 2-methylpropan-1,2-diol, which is further oxidized to 2-hydroxyisobutyric acid. By analogy, a branched pathway is expected for the degradation of TAA, as this molecule possesses several potential hydroxylation sites. In Aquincola tertiaricarbonis L108 and Methylibium petroleiphilum PM1, a likely candidate catalyst for hydroxylations is the putative tertiary alcohol monooxygenase MdpJ. However, by comparing metabolite accumulations in wild-type strains of L108 and PM1 and in two mdpJ knockout mutants of strain L108, we could clearly show that MdpJ is not hydroxylating TAA to diols but functions as a desaturase, resulting in the formation of the hemiterpene 2-methyl-3-buten-2-ol. The latter is further processed via the hemiterpenes prenol, prenal, and 3-methylcrotonic acid. Likewise, 3-methyl-3-pentanol is degraded via 3-methyl-1-penten-3-ol. Wild-type strain L108 and mdpJ knockout mutants formed isoamylene and isoprene from TAA and 2-methyl-3-buten-2-ol, respectively. It is likely that this dehydratase activity is catalyzed by a not-yet-characterized enzyme postulated for the isomerization of 2-methyl-3-buten-2-ol and prenol. The vitamin requirements of strain L108 growing on TAA and the occurrence of 3-methylcrotonic acid as a metabolite indicate that TAA and hemiterpene degradation are linked with the catabolic route of the amino acid leucine, including an involvement of the biotin-dependent 3-methylcrotonyl coenzyme A (3-methylcrotonyl-CoA) carboxylase LiuBD. Evolutionary aspects of favored desaturase versus hydroxylation pathways for TAA conversion and the possible role of MdpJ in the degradation of higher tertiary alcohols are discussed.

  16. Bacterial Degradation of tert-Amyl Alcohol Proceeds via Hemiterpene 2-Methyl-3-Buten-2-ol by Employing the Tertiary Alcohol Desaturase Function of the Rieske Nonheme Mononuclear Iron Oxygenase MdpJ

    PubMed Central

    Schuster, Judith; Schäfer, Franziska; Hübler, Nora; Brandt, Anne; Rosell, Mònica; Härtig, Claus; Harms, Hauke; Müller, Roland H.

    2012-01-01

    Tertiary alcohols, such as tert-butyl alcohol (TBA) and tert-amyl alcohol (TAA) and higher homologues, are only slowly degraded microbially. The conversion of TBA seems to proceed via hydroxylation to 2-methylpropan-1,2-diol, which is further oxidized to 2-hydroxyisobutyric acid. By analogy, a branched pathway is expected for the degradation of TAA, as this molecule possesses several potential hydroxylation sites. In Aquincola tertiaricarbonis L108 and Methylibium petroleiphilum PM1, a likely candidate catalyst for hydroxylations is the putative tertiary alcohol monooxygenase MdpJ. However, by comparing metabolite accumulations in wild-type strains of L108 and PM1 and in two mdpJ knockout mutants of strain L108, we could clearly show that MdpJ is not hydroxylating TAA to diols but functions as a desaturase, resulting in the formation of the hemiterpene 2-methyl-3-buten-2-ol. The latter is further processed via the hemiterpenes prenol, prenal, and 3-methylcrotonic acid. Likewise, 3-methyl-3-pentanol is degraded via 3-methyl-1-penten-3-ol. Wild-type strain L108 and mdpJ knockout mutants formed isoamylene and isoprene from TAA and 2-methyl-3-buten-2-ol, respectively. It is likely that this dehydratase activity is catalyzed by a not-yet-characterized enzyme postulated for the isomerization of 2-methyl-3-buten-2-ol and prenol. The vitamin requirements of strain L108 growing on TAA and the occurrence of 3-methylcrotonic acid as a metabolite indicate that TAA and hemiterpene degradation are linked with the catabolic route of the amino acid leucine, including an involvement of the biotin-dependent 3-methylcrotonyl coenzyme A (3-methylcrotonyl-CoA) carboxylase LiuBD. Evolutionary aspects of favored desaturase versus hydroxylation pathways for TAA conversion and the possible role of MdpJ in the degradation of higher tertiary alcohols are discussed. PMID:22194447

  17. Phenolic and volatile compounds of extra virgin olive oil (Olea europaea L. Cv. Cornicabra) with regard to fruit ripening and irrigation management.

    PubMed

    Gómez-Rico, Aurora; Salvador, M Desamparados; La Greca, Marta; Fregapane, Giuseppe

    2006-09-20

    This study investigated the effect of both the degree of ripening of the olive fruit and irrigation management-rain-fed, two different regulated deficit irrigations (RDI), the method proposed by the Food and Agriculture Organization of the United Nations (known as FAO), and 125 FAO (125% FAO)-on the phenolic and volatile composition of Cornicabra virgin olive oils obtained during two crop seasons. Secoiridoid phenolic derivatives greatly decreased upon increase of both irrigation and ripening, for example, the 3,4-DHPEA-EDA content decreased from 770 to 450 mg/kg through fruit ripening under rain-fed conditions and from 676 to 388 mg/kg from rain-fed conditions to FAO irrigation treatment (at a ripeness index of approximately 4). Moreover, secoiridoid derivatives of hydroxytyrosol decreased more than those of tyrosol. The levels of major volatile components decreased in the course of ripening but were higher in irrigated olive oils: for example, the E-2-hexenal content ranged between 4.2 and 2.6 mg/kg (expressed as 4-methyl-2-pentanol) over fruit maturation under rain-fed conditions and between 8.0 and 3.5 mg/kg under FAO scheduling. It is important to note that where water was applied only from the beginning of August (RDI-2), when oil begins to accumulate in the fruit, the resulting virgin olive oil presented a phenol and volatile profile similar to those of the FAO and 125 FAO methods, but with a considerable reduction in the amount of water supplied to the olive orchard.

  18. Comparative study of aromatic compounds in fruit wines from raspberry, strawberry, and mulberry in central Shaanxi area

    PubMed Central

    Feng, Yiming; Liu, Min; Ouyang, Yanan; Zhao, Xianfang; Ju, Yanlun; Fang, Yulin

    2015-01-01

    Background Although grape wines have firmly dominated the production and consumption markets of fruit wines, raspberry, strawberry, and mulberry have been utilized to make wines because of their joyful aroma and high contents of polyphenolic phytochemicals and essential fatty acids. However, little is known about aromatic compounds of the wines produced from these three fruits. Methods The aromatic composition of fruit wines produced from raspberry, strawberry, mulberry, and red grape was analyzed by GC-MS. Odor activity values (OAVs) and relative odor contributions (ROCs) were used to estimate the sensory contribution of the aromatic compounds to the overall flavor of the wines. Results In strawberry, raspberry, and mulberry wines, 27, 30, and 31 odorants were detected, respectively. Alcohols formed the most abundant group, followed by esters and acids. The grape wine contained a wider variety (16 types) of alcohols, and 4-methyl-2-pentanol and 2,3-butanediol were not present in the three fruit wines. The quantity of esters in raspberry (1.54%) and mulberry wines (2.08%) were higher than those of strawberry wine (0.78%), and mulberry wine contained more types of esters. There were no significant differences of acids between the three fruit wines and the control wine. In addition, 2-heptanone, 2-octanone, 2-nonanone, and 2-undecanone were unique to raspberry wine, and nonanal was present only in mulberry wine. The indistinguishable aroma of the three fruit wines was attributed to the dominance of fruity and floral odor components derived from ethyl esters of fatty acids and their contributions to the global aroma of the three fruit wines. Conclusion The present study demonstrated that there were significant differences in the volatile components of fruit wines made from raspberry, strawberry, and mulberry. The aroma compounds were more abundant in the raspberry and mulberry wines than in the strawberry wine, but the quality of strawberry wine was superior to

  19. Phenolic and volatile compounds of extra virgin olive oil (Olea europaea L. Cv. Cornicabra) with regard to fruit ripening and irrigation management.

    PubMed

    Gómez-Rico, Aurora; Salvador, M Desamparados; La Greca, Marta; Fregapane, Giuseppe

    2006-09-20

    This study investigated the effect of both the degree of ripening of the olive fruit and irrigation management-rain-fed, two different regulated deficit irrigations (RDI), the method proposed by the Food and Agriculture Organization of the United Nations (known as FAO), and 125 FAO (125% FAO)-on the phenolic and volatile composition of Cornicabra virgin olive oils obtained during two crop seasons. Secoiridoid phenolic derivatives greatly decreased upon increase of both irrigation and ripening, for example, the 3,4-DHPEA-EDA content decreased from 770 to 450 mg/kg through fruit ripening under rain-fed conditions and from 676 to 388 mg/kg from rain-fed conditions to FAO irrigation treatment (at a ripeness index of approximately 4). Moreover, secoiridoid derivatives of hydroxytyrosol decreased more than those of tyrosol. The levels of major volatile components decreased in the course of ripening but were higher in irrigated olive oils: for example, the E-2-hexenal content ranged between 4.2 and 2.6 mg/kg (expressed as 4-methyl-2-pentanol) over fruit maturation under rain-fed conditions and between 8.0 and 3.5 mg/kg under FAO scheduling. It is important to note that where water was applied only from the beginning of August (RDI-2), when oil begins to accumulate in the fruit, the resulting virgin olive oil presented a phenol and volatile profile similar to those of the FAO and 125 FAO methods, but with a considerable reduction in the amount of water supplied to the olive orchard. PMID:16968073

  20. Kinetic limitations on tracer partitioning in ganglia dominated source zones.

    PubMed

    Ervin, Rhiannon E; Boroumand, Ali; Abriola, Linda M; Ramsburg, C Andrew

    2011-11-01

    Quantification of the relationship between dense nonaqueous phase liquid (DNAPL) source strength, source longevity and spatial distribution is increasingly recognized as important for effective remedial design. Partitioning tracers are one tool that may permit interrogation of DNAPL architecture. Tracer data are commonly analyzed under the assumption of linear, equilibrium partitioning, although the appropriateness of these assumptions has not been fully explored. Here we focus on elucidating the nonlinear and nonequilibrium partitioning behavior of three selected alcohol tracers - 1-pentanol, 1-hexanol and 2-octanol in a series of batch and column experiments. Liquid-liquid equilibria for systems comprising water, TCE and the selected alcohol illustrate the nonlinear distribution of alcohol between the aqueous and organic phases. Complete quantification of these equilibria facilitates delineation of the limits of applicability of the linear partitioning assumption, and assessment of potential inaccuracies associated with measurement of partition coefficients at a single concentration. Column experiments were conducted under conditions of non-equilibrium to evaluate the kinetics of the reversible absorption of the selected tracers in a sandy medium containing a uniform entrapped saturation of TCE-DNAPL. Experimental tracer breakthrough data were used, in conjunction with mathematical models and batch measurements, to evaluate alternative hypotheses for observed deviations from linear equilibrium partitioning behavior. Analyses suggest that, although all tracers accumulate at the TCE-DNAPL/aqueous interface, surface accumulation does not influence transport at concentrations typically employed for tracer tests. Moreover, results reveal that the kinetics of the reversible absorption process are well described using existing mass transfer correlations originally developed to model aqueous boundary layer resistance for pure-component NAPL dissolution. PMID:22115085

  1. Volatiles in raw and cooked meat from lambs fed olive cake and linseed.

    PubMed

    Gravador, R S; Serra, A; Luciano, G; Pennisi, P; Vasta, V; Mele, M; Pauselli, M; Priolo, A

    2015-04-01

    This study was conducted to determine the effects of feeding olive cake and linseed to lambs on the volatile organic compounds (VOCs) in raw and cooked meat. Four groups of eight male Appenninica lambs each were fed: conventional cereal-based concentrates (diet C), concentrates containing 20% on a dry matter (DM) basis of rolled linseed (diet L), concentrates containing 35% DM of stoned olive cake (diet OC), or concentrates containing both rolled linseed (10% DM) and stoned olive cake (17% DM; diet OCL). The longissimus dorsi muscle of each lamb was sampled at slaughter and was subjected to VOC profiling through the use of SPME-GC-MS. In the raw meat, the concentration of 3-methylpentanoic acid was higher in treatment C as compared with treatments L, OC and OCL (P<0.01). Moreover the level of nonanoic acid was greater in treatments C and OC than in treatment L (P<0.05). With respect to alcohols, in raw meat the amount of 2-phenoxyethanol in treatment OCL was lower than in treatments C (P<0.01) and OC (P<0.05), while in cooked meat the amount of 1-pentanol was higher in treatment C than in treatment OC (P<0.05). Apart from these compounds, none of the lipid oxidation-derived volatiles was significantly affected by the dietary treatment. Therefore, the results suggest that the replacement of cereal concentrates with linseed and/or olive cake did not cause appreciable changes in the production of volatile organic compounds in lamb meat.

  2. Development of a standard gas generating vial comprised of a silicon oil-polystyrene/divinylbenzene composite sorbent.

    PubMed

    Grandy, Jonathan J; Gómez-Ríos, German A; Pawliszyn, Janusz

    2015-09-01

    In this work, a highly reproducible standard gas generating vial is proposed. The vial is comprised of a silicon diffusion pump oil spiked with an appropriate calibration compound, such as modified McReynolds probes (benzene, 2-pentanone, pyridine, 1-nitropropane, 1-pentanol, and n-octane), and then mixed with polystyrene/divinylbenzene (PS/DVB) particles. The concentrations of these compounds in gaseous headspace were found to substantially decrease in comparison to previously developed hydrocarbon pump oil based vials; hence, the amount of standard loaded onto SPME fibers was at most, half that of the previous vial design. Depletion for all compounds after 208 successive extractions was shown to be less than 3.5%. Smaller quantities of standards being used resulted in a vial that depleted slower while remaining statistically repeatable over a wider number of runs. Indeed, it was found that depletion could be largely predicted by using a mass balance theoretical model. This behavior allowed a further increase in the number of loadings that could be performed repeatedly. At a 95% level of confidence, the ANOVA test demonstrated that the prepared vials were statistically identical, with no significant intra- or inter-batch differences. In addition, it was found that vials stored under different conditions (e.g. under light exposure, room temperature, and within a refrigerator) were stable over 10 weeks. Silicon based vials proved to be ideal for performing instrument quality control and loading of internal standards onto fibers, both of which are of great importance when performing on-site analysis using portable GC-MS instrumentation and high throughput determinations in laboratory. PMID:26243704

  3. The effects of electrolysis on operational solutions in electromembrane extraction: The role of acceptor solution.

    PubMed

    Kubáň, Pavel; Boček, Petr

    2015-06-12

    Fundamental operational principle and instrumental set-up of electromembrane extraction (EME) suggest that electrolysis may play an important role in this recently developed micro-extraction technique. In the present study, the effect of electrolysis in EME is described comprehensively for the first time and it is demonstrated that electrolysis considerably influences EME performance. Micro-electromembrane extraction (μ-EME) across free liquid membrane formed by 1-pentanol was utilized for real-time monitoring of the electrolytically induced changes in composition of μ-EME solutions. These changes were visualized with a set of acid-base indicators. Changes in colours of their aqueous solutions revealed serious variations in their pH values, which occurred within seconds to minutes of the μ-EME process. Variations of up to eight pH units were observed for indicator solutions initially prepared in 1, 5 and 10mM hydrochloric acid. No or only negligible pH changes (less than 0.15 pH unit) were observed for indicator solutions prepared in 50 and 100mM acetic acid demonstrating that initial composition of the aqueous solutions was the crucial parameter. These results were also confirmed by theoretical calculations of maximum pH variations in the solutions, which were based on total electric charge transfers measured in the μ-EME systems, and by exact measurements of their pH values after μ-EMEs. Acceptor solutions that, in the current practice, consist predominantly of low concentrations of strong mineral acids or alkali hydroxides may thus not always ensure adequate EME performance, which was manifested by decrease in extraction recoveries of a basic drug papaverine. A suitable remedy to the observed effects is the application of acceptor solutions containing high concentrations of weak acids or bases. These solutions not only eliminate the decrease in recoveries but also serve well as matrices of extracted samples for subsequent analysis by capillary

  4. Effect of the thermodynamic properties of W/O microemulsions on samarium oxide nanoparticle size.

    PubMed

    Zhu, Wenqing; Xu, Lei; Ma, Jin; Yang, Rui; Chen, Yashao

    2009-12-01

    In this work, we report the preparation of the Sm2O3 nanoparticle precursors (Sm(OH)3) via a simple W/O microemulsion process, in which microemulsions of cetyltrimethylammonium bromide (CTAB)/alkanol/1-octane/Sm(NO3)3 aqueous solution were added into sodium hydroxide (NaOH) aqueous solutions. The Sm2O3 nanoparticles were then prepared by calcining the precursors at 900 degrees C. Particularly, DeltaG(c-->i), which is the change in standard Gibbs free energy for transferring cosurfactant from the continuous phase to the microemulsion interface and can be used to estimate the thermodynamic properties of microemulsions, was determined using the dilution method. The effects of alkanol carbon chain length (1-pentanol, 1-hexanol, 1-heptanol and 1-octanol) and the reaction temperatures (298, 308, 318 and 328 K) on both DeltaG(c-->i) and Sm2O3 nanoparticle size have been investigated. Specifically, the Sm2O3 nanoparticle size, when calcined at 900 degrees C, was found to be mainly controlled by DeltaG(c-->i), and was thereby affected by the thermodynamic properties of microemulsions. The obtained products were characterized by DSC-TGA, XRD, TEM and UV-Vis. The results showed that DeltaG(c-->i) decreased with the increase in both the length of alkanol carbon chain and the reaction temperature, and the average size of Sm2O3 nanoparticles decreased as DeltaG(c-->i) decreased. The effect of microemulsion thermodynamic properties on Sm2O3 nanoparticle size reported here can provide some insights in controllable preparation of other rare earth oxide nanoparticles via the microemulsion route. PMID:19740477

  5. The effects of electrolysis on operational solutions in electromembrane extraction: The role of acceptor solution.

    PubMed

    Kubáň, Pavel; Boček, Petr

    2015-06-12

    Fundamental operational principle and instrumental set-up of electromembrane extraction (EME) suggest that electrolysis may play an important role in this recently developed micro-extraction technique. In the present study, the effect of electrolysis in EME is described comprehensively for the first time and it is demonstrated that electrolysis considerably influences EME performance. Micro-electromembrane extraction (μ-EME) across free liquid membrane formed by 1-pentanol was utilized for real-time monitoring of the electrolytically induced changes in composition of μ-EME solutions. These changes were visualized with a set of acid-base indicators. Changes in colours of their aqueous solutions revealed serious variations in their pH values, which occurred within seconds to minutes of the μ-EME process. Variations of up to eight pH units were observed for indicator solutions initially prepared in 1, 5 and 10mM hydrochloric acid. No or only negligible pH changes (less than 0.15 pH unit) were observed for indicator solutions prepared in 50 and 100mM acetic acid demonstrating that initial composition of the aqueous solutions was the crucial parameter. These results were also confirmed by theoretical calculations of maximum pH variations in the solutions, which were based on total electric charge transfers measured in the μ-EME systems, and by exact measurements of their pH values after μ-EMEs. Acceptor solutions that, in the current practice, consist predominantly of low concentrations of strong mineral acids or alkali hydroxides may thus not always ensure adequate EME performance, which was manifested by decrease in extraction recoveries of a basic drug papaverine. A suitable remedy to the observed effects is the application of acceptor solutions containing high concentrations of weak acids or bases. These solutions not only eliminate the decrease in recoveries but also serve well as matrices of extracted samples for subsequent analysis by capillary

  6. Binding of higher alcohols onto Mn(12) single-molecule magnets (SMMs): access to the highest barrier Mn(12) SMM.

    PubMed

    Lampropoulos, Christos; Redler, Gage; Data, Saiti; Abboud, Khalil A; Hill, Stephen; Christou, George

    2010-02-15

    Two new members of the Mn(12) family of single-molecule magnets (SMMs), [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(Bu(t)OH)(H(2)O)(3)].2Bu(t)OH (3.2Bu(t)OH) and [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(C(5)H(11)OH)(4)] (4) (C(5)H(11)OH is 1-pentanol), are reported. They were synthesized from [Mn(12)O(12)(O(2)CMe)(16)(H(2)O)(4)].2MeCO(2)H.4H(2)O (1) by carboxylate substitution and crystallization from the appropriate alcohol-containing solvent. Complexes 3 and 4 are new members of the recently established [Mn(12)O(12)(O(2)CCH(2)Bu(t))(16)(solv)(4)] (solv = H(2)O, alcohols) family of SMMs. Only one bulky Bu(t)OH can be accommodated into 3, and even this causes significant distortion of the [Mn(12)O(12)] core. Variable-temperature, solid-state alternating current (AC) magnetization studies were carried out on complexes 3 and 4, and they established that both possess an S = 10 ground state spin and are SMMs. However, the magnetic behavior of the two compounds was found to be significantly different, with 4 showing out-of-phase AC peaks at higher temperatures than 3. High-frequency electron paramagnetic resonance (HFEPR) studies were carried out on single crystals of 3.2Bu(t)OH and 4, and these revealed that the axial zero-field splitting constant, D, is very different for the two compounds. Furthermore, it was established that 4 is the Mn(12) SMM with the highest kinetic barrier (U(eff)) to date. The results reveal alcohol substitution as an additional and convenient means to affect the magnetization relaxation barrier of the Mn(12) SMMs without major change to the ligation or oxidation state.

  7. Development of a standard gas generating vial comprised of a silicon oil-polystyrene/divinylbenzene composite sorbent.

    PubMed

    Grandy, Jonathan J; Gómez-Ríos, German A; Pawliszyn, Janusz

    2015-09-01

    In this work, a highly reproducible standard gas generating vial is proposed. The vial is comprised of a silicon diffusion pump oil spiked with an appropriate calibration compound, such as modified McReynolds probes (benzene, 2-pentanone, pyridine, 1-nitropropane, 1-pentanol, and n-octane), and then mixed with polystyrene/divinylbenzene (PS/DVB) particles. The concentrations of these compounds in gaseous headspace were found to substantially decrease in comparison to previously developed hydrocarbon pump oil based vials; hence, the amount of standard loaded onto SPME fibers was at most, half that of the previous vial design. Depletion for all compounds after 208 successive extractions was shown to be less than 3.5%. Smaller quantities of standards being used resulted in a vial that depleted slower while remaining statistically repeatable over a wider number of runs. Indeed, it was found that depletion could be largely predicted by using a mass balance theoretical model. This behavior allowed a further increase in the number of loadings that could be performed repeatedly. At a 95% level of confidence, the ANOVA test demonstrated that the prepared vials were statistically identical, with no significant intra- or inter-batch differences. In addition, it was found that vials stored under different conditions (e.g. under light exposure, room temperature, and within a refrigerator) were stable over 10 weeks. Silicon based vials proved to be ideal for performing instrument quality control and loading of internal standards onto fibers, both of which are of great importance when performing on-site analysis using portable GC-MS instrumentation and high throughput determinations in laboratory.

  8. Effect of Selected Volatiles on Two Stored Pests: The Fungus Fusarium verticillioides and the Maize Weevil Sithophilus zeamais.

    PubMed

    Zunino, María P; Herrera, Jimena M; Pizzolitto, Romina P; Rubinstein, Héctor R; Zygadlo, Julio A; Dambolena, José S

    2015-09-01

    New agronomic practices and technology enabled Argentina a larger production of cereal grains, reaching a harvest yield of 26.5 million metric tons of maize, of which, about 40% was exported. However, much of the maize production is lost annually by the attack of fungi and insects (2.6 million tons). In this study, the antifungal effect of selected volatiles on Fusarium verticillioides, its mycotoxin production, and the repellent and insecticidal activities against the weevill Sithophilus zeamais, an insect vector of F. verticillioides, were evaluated. The compounds tested were (2E)-2-hexenal, (2E)-2-nonenal, (2E,6Z)-2,6-nonadienal, 1-pentanol, 1-hexanol, 1-butanol, 3-methyl-1-butanol, pentanal, 2-decanone, and 3-decanone, which occur in the blend of volatile compounds emitted by various cereal grains. The most active antifungals were the aldehydes (2E)-2-nonenal, (2E)-2-hexenal, and (2E,6Z)-2,6-nonadienal (minimum inhibitory concentration values of <0.03, 0.06, and 0.06 mM, respectively). The occurrence of fumonisin B1 also was prevented because these compounds completely inhibited fungal growth. The best insecticidal fumigant activities against the maize weevil were shown by 2-decanone and 3-decanone (lethal concentration ≤ 54.6 μL/L (<0.28 mM)). Although, all tested compounds showed repellent activity against S. zeamais at a concentration of 4 μL/L, (2E,6Z)-2,6-nonadienal was the most active repellent compound. These results demonstrate the potential of (2E,6Z)-2,6-nonadienal to be used as a natural alternative to synthetic pesticides on F. verticillioides and S. zeamais.

  9. Determination of volatile compounds in wine by gas chromatography-flame ionization detection: comparison between the U.S. Environmental Protection Agency 3sigma approach and Hubaux-Vos calculation of detection limits using ordinary and bivariate least squares.

    PubMed

    Caruso, Rosario; Scordino, Monica; Traulo, Pasqualino; Gagliano, Giacomo

    2012-01-01

    A capillary GC-flame ionization detection (FID) method to determine volatile compounds (ethyl acetate, 1,1-diethoxyethane, methyl alcohol, 1-propanol, 2-methyl-1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 1-butanol, and 2-butanol) in wine was investigated in terms of calculation of detection limits and calibration method. The main objectives were: (1) calculation of regression coefficient parameters by ordinary least-squares (OLS) and bivariate least-squares (BLS) regression models, taking into account errors in both axes; (2) estimation of linear dynamic range (LDR) according to International Conference on Harmonization recommendations; (3) performance evaluation of a method by using three different internal standards (ISs) such as acetonitrile, acetone, and 1-pentanol; (4) evaluation of LODs according to the U.S. Environmental Protection Agency (EPA) 3sigma approach and the Hubaux-Vos (H-V) method; (5) application of H-V theory to a gas chromatographic analytical method and to a food matrix; and (6) accuracy assessment of the method relative to methyl alcohol content through a Unione Italiana Vini (UIV) interlaboratory proficiency test. Calibration curves calculated via BLS and OLS show similar slopes, while intercepts are closer to zero in the first case, independent of the chosen IS. The studied ISs show a substantially equivalent behavior, even though the IS closer to the analyte retention time seems to be more appropriate in terms of LDR and LOD. Results indicate an underestimation of LODs using the EPA 3sigma approach instead of the more realistic H-V method, both with OLS and BLS regression models. Methanol contents compared with UIV average values indicate recovery between 90 and 110%.

  10. Effect of Selected Volatiles on Two Stored Pests: The Fungus Fusarium verticillioides and the Maize Weevil Sithophilus zeamais.

    PubMed

    Zunino, María P; Herrera, Jimena M; Pizzolitto, Romina P; Rubinstein, Héctor R; Zygadlo, Julio A; Dambolena, José S

    2015-09-01

    New agronomic practices and technology enabled Argentina a larger production of cereal grains, reaching a harvest yield of 26.5 million metric tons of maize, of which, about 40% was exported. However, much of the maize production is lost annually by the attack of fungi and insects (2.6 million tons). In this study, the antifungal effect of selected volatiles on Fusarium verticillioides, its mycotoxin production, and the repellent and insecticidal activities against the weevill Sithophilus zeamais, an insect vector of F. verticillioides, were evaluated. The compounds tested were (2E)-2-hexenal, (2E)-2-nonenal, (2E,6Z)-2,6-nonadienal, 1-pentanol, 1-hexanol, 1-butanol, 3-methyl-1-butanol, pentanal, 2-decanone, and 3-decanone, which occur in the blend of volatile compounds emitted by various cereal grains. The most active antifungals were the aldehydes (2E)-2-nonenal, (2E)-2-hexenal, and (2E,6Z)-2,6-nonadienal (minimum inhibitory concentration values of <0.03, 0.06, and 0.06 mM, respectively). The occurrence of fumonisin B1 also was prevented because these compounds completely inhibited fungal growth. The best insecticidal fumigant activities against the maize weevil were shown by 2-decanone and 3-decanone (lethal concentration ≤ 54.6 μL/L (<0.28 mM)). Although, all tested compounds showed repellent activity against S. zeamais at a concentration of 4 μL/L, (2E,6Z)-2,6-nonadienal was the most active repellent compound. These results demonstrate the potential of (2E,6Z)-2,6-nonadienal to be used as a natural alternative to synthetic pesticides on F. verticillioides and S. zeamais. PMID:26257042

  11. Implementation of multivariate techniques for the selection of volatile compounds as indicators of sensory quality of raw beef.

    PubMed

    Saraiva, Cristina; Oliveira, I; Silva, J A; Martins, C; Ventanas, J; García, C

    2015-06-01

    This study was performed in order to select volatile compounds to predict the off-odour and overall assessment of raw beef's freshness Maronesa breed, using multivariate analysis. M. longissimus dorsi packed in vacuum and MAP (70 % O2/20 % CO2/10 % N2) stored at 4 ºC were examined for off-odour perception as well as the overall assessment of freshness at 10 and 21 days post mortem. The results achieved in this study demonstrated that the selected volatile compounds could be considered as volatile indicators of beef spoilage, enclosing information for discrimination of Maronesa beef samples in sensory classes of odour corresponding to unspoiled and spoiled levels. Fifty-four volatile compounds were detected. A significant increase of aldehydes, ketones and alcohols were observed during storage in MAP. 2 and 3-methylbutanal, 2 and 3-methylbutanol, 1-pentanol, 1-hexanol, 2,3-octanedione, 3,5-octanedione, octanal and nonanal were suggested as indicators of beef spoilage. 3-methylpentane was considered as a marker in the first stages of spoilage in beef, decreasing during storage. Data were examined using PCR and PLSR models for different optimal subsets of volatile compounds. The simplicity and usefulness of the technique in using 0/1 data in preserving high levels of accuracy was also prevalent. The powerful analytical methodologies for reducing variables and the choice of optimal subsets could be advantageous in both basic research and the routine quality control of chilled beef.

  12. In Vitro Evaluation of Antimicrobial Efficacy of Extracts Obtained from Raw and Fermented Wild Macrofungus, Lenzites quercina

    PubMed Central

    Ogidi, Olusola Clement; Oyetayo, Victor Olusegun; Akinyele, Bamidele Juliet

    2015-01-01

    In recent time, there is a major concern about antibiotic resistance displayed by some pathogenic microorganisms and this had involved a continuous search for natural antimicrobial products. The phytochemistry as well as antimicrobial activity of extracts obtained from Lenzites quercina was investigated. The extracts and purified fractions were, respectively, tested against indicator organisms using agar well diffusion and disc diffusion methods. The quantity of phytochemicals found in the extracts of L. quercina ranged from 14.4 to 20.7 mg/g for alkaloids, 6.1 to 12.8 mg/g for steroids, 4.5 to 10.6 mg/g for saponins, 2.8 to 17.2 mg/g for terpenoids, and 0.41 to 17.1 mg/g for flavonoids. The gas chromatography mass spectrophotometry (GCMS) analysis of the extract reveals the presence of caprylic acid, stearic acid, tetradecanoic acid, methyl-11-octadecenoate, oleic acid, and 4-methyl-2-propyl-1-pentanol. Extracts of L. quercina and its purified fractions exhibited wider range of inhibition (4 mm to 26 mm) on Staphylococcus aureus (ATCC 29213), Pseudomonas aeruginosa (ATCC 27853), Escherichia coli (ATCC 35218), Methicillin Resistant Staphylococcus aureus (MRSA), Salmonella typhi, Bacillus cereus, Enterococcus faecalis, Candida albicans, and Aspergillus niger. The antimicrobial effects of L. quercina extracts indicate that this wild macrofungus contains significant amount of pharmacological agents, which could be extracted to curb the menace of antibiotic resistances by pathogenic organisms. PMID:26604928

  13. Determination of volatile compounds in wine by gas chromatography-flame ionization detection: comparison between the U.S. Environmental Protection Agency 3sigma approach and Hubaux-Vos calculation of detection limits using ordinary and bivariate least squares.

    PubMed

    Caruso, Rosario; Scordino, Monica; Traulo, Pasqualino; Gagliano, Giacomo

    2012-01-01

    A capillary GC-flame ionization detection (FID) method to determine volatile compounds (ethyl acetate, 1,1-diethoxyethane, methyl alcohol, 1-propanol, 2-methyl-1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 1-butanol, and 2-butanol) in wine was investigated in terms of calculation of detection limits and calibration method. The main objectives were: (1) calculation of regression coefficient parameters by ordinary least-squares (OLS) and bivariate least-squares (BLS) regression models, taking into account errors in both axes; (2) estimation of linear dynamic range (LDR) according to International Conference on Harmonization recommendations; (3) performance evaluation of a method by using three different internal standards (ISs) such as acetonitrile, acetone, and 1-pentanol; (4) evaluation of LODs according to the U.S. Environmental Protection Agency (EPA) 3sigma approach and the Hubaux-Vos (H-V) method; (5) application of H-V theory to a gas chromatographic analytical method and to a food matrix; and (6) accuracy assessment of the method relative to methyl alcohol content through a Unione Italiana Vini (UIV) interlaboratory proficiency test. Calibration curves calculated via BLS and OLS show similar slopes, while intercepts are closer to zero in the first case, independent of the chosen IS. The studied ISs show a substantially equivalent behavior, even though the IS closer to the analyte retention time seems to be more appropriate in terms of LDR and LOD. Results indicate an underestimation of LODs using the EPA 3sigma approach instead of the more realistic H-V method, both with OLS and BLS regression models. Methanol contents compared with UIV average values indicate recovery between 90 and 110%. PMID:22649934

  14. Analysis of thiabendazole, 4-tert-octylphenol and chlorpyrifos in waste and sewage water by direct injection – micellar liquid chromatography.

    PubMed

    Romero-Cano, Ricard; Kassuha, Diego; Peris-Vicente, Juan; Roca-Genovés, Pasqual; Carda-Broch, Samuel; Esteve-Romero, Josep

    2015-03-01

    A micellar liquid chromatographic method has been developed for the simultaneous quantification of the pesticides thiabendazole and chlorpyrifos, as well as an alkylphenol, which is included in pesticide formulations, i.e., 4-tert-octylphenol, in water. A sample was filtered and directly injected, avoiding large extraction steps using toxic solvents, thus expediting the experimental procedure. The contaminants were eluted without interferences in <17 min, using a mobile phase of 0.15 M sodium dodecyl sulfate – 6% 1-pentanol buffered at pH 3, running through a C18 column at 1 mL min(-1) under the isocratic mode. This optimal mobile phase was selected using a statistical approach, which considers the retention factor, efficiency and peak shape of the analytes measured in only a few mobile phases. The detection was carried out by measuring absorbance at 220 nm. The method was successfully validated in terms of specificity, calibration range (0.5-10 mg L(-1)), linearity (r(2) > 0.994), limit of detection and quantification (0.2-0.3; and 0.5-0.8 mg L(-1), respectively), intra- and interday accuracy (95.2-102.9%), precision (<8.3%), and ruggedness (<9.3%). The stability in storage conditions (at least 14 days) was studied. The method was safe, inexpensive, produced little pollutant and has a short analysis time, thus it is useful for the routine analysis of samples. Finally, the method was applied to analyse wastewater from the fruit-processing industry, wastewater treatment plants, and in sewage water belonging to the Castelló area (Spain). The results were similar to those obtained by an already reliable method. PMID:25604004

  15. Contribution of Liver Alcohol Dehydrogenase to Metabolism of Alcohols in Rats

    PubMed Central

    Plapp, Bryce V.; Leidal, Kevin G.; Murch, Bruce P.; Green, David W.

    2015-01-01

    The kinetics of oxidation of various alcohols by purified rat liver alcohol dehydrogenase (ADH) were compared with the kinetics of elimination of the alcohols in rats in order to investigate the roles of ADH and other factors that contribute to the rates of metabolism of alcohols. Primary alcohols (ethanol, 1-propanol, 1-butanol, 2-methyl-1-propanol, 3-methyl-1-butanol) and diols (1,3-propanediol, 1,3-butanediol, 1,4-butanediol, 1,5-pentanediol) were eliminated in rats with zero-order kinetics at doses of 5–20 mmole/kg. Ethanol was eliminated most rapidly, at 7.9 mmole/kg•h. Secondary alcohols (2-propanol-d7, 2-propanol, 2-butanol, 3-pentanol, cyclopentanol, cyclohexanol) were eliminated with first order kinetics at doses of 5–10 mmole/kg, and the corresponding ketones were formed and slowly eliminated with zero or first order kinetics. The rates of elimination of various alcohols were inhibited on average 73% (55% for 2-propanol to 90% for ethanol) by 1 mmole/kg of 4-methylpyrazole, a good inhibitor of ADH, indicating a major role for ADH in the metabolism of the alcohols. The Michaelis kinetic constants from in vitro studies (pH 7.3, 37 °C) with isolated rat liver enzyme were used to calculate the expected relative rates of metabolism in rats. The rates of elimination generally increased with increased activity of ADH, but a maximum rate of 6 ± 1 mmole/kg•h was observed for the best substrates, suggesting that ADH activity is not solely rate-limiting. Because secondary alcohols only require one NAD+ for the conversion to ketones whereas primary alcohols require two equivalents of NAD+ for oxidation to the carboxylic acids, it appears that the rate of oxidation of NADH to NAD+ is not a major limiting factor for metabolism of these alcohols, but the rate-limiting factors are yet to be identified. PMID:25641189

  16. Sensory and physicochemical evolution of tropical cooked peeled shrimp inoculated by Brochothrix thermosphacta and Lactococcus piscium CNCM I-4031 during storage at 8°C.

    PubMed

    Fall, Papa Abdoulaye; Pilet, Marie France; Leduc, François; Cardinal, Mireille; Duflos, Guillaume; Guérin, Camille; Joffraud, Jean-Jacques; Leroi, Françoise

    2012-01-16

    This study investigated the sensory quality and physicochemical evolution (pH, glucose, l-lactic acid, biogenic amine, free amino-acids and volatile compounds) during storage at 8°C of cooked peeled shrimp inoculated with the specific spoilage bacteria Brochothrix thermosphacta alone or mixed with the protective strain Lactococcus piscium CNCM I-4031. Growth of both bacteria was monitored at regular intervals during storage by microbial counts and the thermal temperature gradient gel electrophoresis (TTGE) technique. Bacterial counts showed that L. piscium and B. thermosphacta inoculated at 7 log CFU/g and 3 log CFU/g were well adapted to shrimp, reaching a maximum level of 9 log CFU/g after 4days and 10days respectively. In mixed culture, the growth of B. thermosphacta was reduced by 3.2±0.1 log CFU/g. The TTGE technique allowed monitoring the colonisation of the strains on the shrimp matrix and confirming the dominance of L. piscium in mixed culture throughout the experiment. Sensory analysis confirmed that B. thermosphacta spoiled the product after 11days, when its cell number attained 8 log CFU/g with the emission of strong butter/caramel off-odours. This sensory profile could be linked to the production of 2,3 butanedione, cyclopentanol, 3-methylbutanol, 3-methylbutanal, 2-methylbutanal, 4-methyl-3-chloro-3-pentanol and ethanol, which were produced in more significant quantities in the B. thermosphacta batch than in the batches in which the protective strain was present. On the contrary, TVBN and TMA were not suitable as quality indicators for B. thermosphacta spoilage activity. In the products where the protective L. piscium strain was present, no adverse effect on sensory quality was noted by the sensory panels. Moreover, biogenic amine assessment did not show any histamine or tyramine production by this strain, underlining its safety profile. Both strains produced lactic acid (1850mg/kg in L. piscium and B. thermosphacta batch on days 3 and 10

  17. Initial Studies Using Aliphatic β-Nitro Alcohols for Therapeutic Corneal Cross-Linking

    PubMed Central

    Paik, David C.; Wen, Quan; Braunstein, Richard E.; Airiani, Suzanna; Trokel, Stephen L.

    2009-01-01

    Purpose Corneal collagen cross-linking through UVA-riboflavin photochemistry (UVAR) has been shown to be an effective treatment for keratoconus and related keratectasias. In recent studies using sclera, the authors observed that short-chain aliphatic β-nitro alcohols can cross-link collagenous tissue under physiologic conditions. Thus, this study was undertaken to evaluate these agents as potential pharmacologic alternatives to UVAR. Methods Porcine corneal strips (8 × 4 mm) and corneoscleral complexes were cross-linked using 1 to 100 mM 2-nitroethanol (2ne), 2-nitro-1-propanol (2nprop), and 3-nitro-2-pentanol (3n2pent) at pH 7.4, 34°C. Cross-linking by UVAR was carried out for comparison. Thermal shrinkage temperature analysis was used to evaluate cross-linking effects, and changes in corneal light transmission were determined with a fiber-optic spectrophotometer. Results At 10 and 100 mM for 96 hours, initial shrinkage temperature (Ti) was shifted by 3.3°C (P < 0.001) and 9.8°C (P < 0.001) for 2ne, 2.9°C (P = 0.008) and 4.9°C (P < 0.001) for 2nprop, and 3.8°C (P = 0.003) and 4.9°C (P < 0.001) for 3n2pent. Reacting at 1 mM through daily exchange of fluid over 7 days shifted Ti by 3.8°C (P < 0.001), 4.4°C (P = 0.002), and 3.2°C (P = 0.005), for 2ne, 2nprop, and 3n2pent, respectively. These shifts were greater than cross-linking using UVAR (Ti = 1.9°C; P = 0.012). In the blue light region (400−500 nm), transmission was decreased by 5.6% (P = 0.003), 2.1% (P = 0.260), and 0% (P = 0.428) for 2ne, 2nprop, and 3n2pent, respectively. Conclusions β-Nitro alcohols can induce corneal cross-linking in vitro better than the UVAR technique and can induce negligible effects on light transmission. These early results suggest that such compounds could be used as topical stiffening agents for keratoconus and related disorders. PMID:18836172

  18. Organic compound composition in soil and sediments collected in Jackson, Mississippi.

    PubMed

    Gołębiowski, Marek; Stepnowski, Piotr; Hemmingway, Tometrick; Leszczyńska, Danuta

    2016-01-01

    The aim of our study was to identify organic pollutants found in soil and sediment samples collected within the Jackson, MS metropolitan area. The chemical characterization of the organic compound fractions in soil and sediment samples was carried out by separating the organic fraction using column chromatography (CC) and quantitatively analyzing the polycyclic aromatic hydrocarbons (PAHs), n-alkanes and other organic compounds using gas chromatography-electron impact mass spectrometry (GC-MS). Fifty-six compounds were identified and quantified in the soil samples and 33 compounds were identified and quantified in the sediment samples. The PAHs, n-alkanes and other organic compound profiles in the soil and sediment samples were compared. The percentage contents of the organic compounds in the soil samples were very diverse (from traces to 12.44 ± 1.47%). The compounds present in the highest concentrations were n-alkanes: n-C31 (12.44 ± 1.47%), n-C29 (11.64 ± 1.21%), and n-C33 (8.95 ± 1.08%). The components occurring in smaller quantities (from 1% to 5%) were 2 PAHs (fluoranthene 1.28 ± 0.25%, pyrene 1.16 ± 0.20%), 10 n-alkanes from n-C21 (1.25 ± 0.29%) to n-C32 (2.67 ± 0.52%) and 11 other compounds (e.g., 2-pentanol, 4-methyl (3.33 ± 0.44%), benzyl butyl phthalate (4.25 ± 0.59%), benzenedicarboxylic acid (1.14 ± 0.08%), ethane, 1,1-diethoxy (3.15 ± 0.41) and hexadecanoic acid (2.52 ± 0.34). The soil samples also contained 30 compounds present in concentrations <1% (e.g., anthracene (0.13 ± 0.04%), n-C20 (0.84 ± 0.21%) and acetic acid (0.12 ± 0.04%). The compounds present in the highest concentrations in the sediment samples were PAHs: pyrene (7.73 ± 1.15%) and fluoranthene (6.23 ± 1.07%) and n-alkanes: n-C31 (6.74 ± 1.21%), n-C29 (6.65 ± 0.98%) and n-C27 (6.13 ± 1.09%). The remaining organic compounds were present in smaller quantities (< 5%).

  19. Volatile metabolite production of spoilage micro-organisms on a mixed-lettuce agar during storage at 7 degrees C in air and low oxygen atmosphere.

    PubMed

    Ragaert, P; Devlieghere, F; Devuyst, E; Dewulf, J; Van Langenhove, H; Debevere, J

    2006-11-01

    This paper describes the volatile metabolite production of spoilage bacteria (Pantoea agglomerans and Rahnella aquatilis) and spoilage yeasts (Pichia fermentans and Cryptococcus laurentii), previously isolated from mixed lettuce, on a simulation medium of shredded mixed lettuce (mixed-lettuce agar) both under air conditions and modified atmosphere (MA)-conditions at 7 degrees C. These latter conditions simulated the equilibrium modified atmosphere packaging, which is used to extend the shelf-life of shredded mixed lettuce. Besides volatile metabolites, organic acid metabolites and consumption of sugars were measured. Microbiological growth on the mixed-lettuce agar resulted in metabolite production and consumption of sugars. Bacteria and yeasts produced a range of volatile organic compounds both under air conditions and MA-conditions: ethanol, ethyl acetate, 2-methyl-1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 2,3-butanedione, 3-methyl-1-pentanol, 1-butanol and 1-hexanol. Under MA-conditions, 2-methyl-1-butanol, 3-methyl-1-butanol and ethanol were the first compounds that were detected in the headspace as being produced by the inoculated micro-organisms. In the case of the yeast P. fermentans, production of these compounds was detected from a count of 5.0+/-0.1 log cfu/cm(2) with a fast increase when exceeding 6.0-6.5 log cfu/cm(2). Unlike P. fermentans, the yeast C. laurentii showed a slow metabolism under MA-conditions, compared to air conditions. In the case of the bacteria, production of 2-methyl-1-butanol and 3-methyl-1-butanol was detected starting from a count of 6.7+/-0.1 log cfu/cm(2) in the case of R. aquatilis and from a count of 7.1+/-0.4 log cfu/cm(2) in the case of P. agglomerans with a fast increase when exceeding 8 log cfu/cm(2). No production of ethanol by the bacteria under MA-conditions was detected in contradiction to air conditions. It could be concluded that, if these counts are reached on the cut surfaces of shredded mixed lettuce

  20. The Effect of Cavitating Ultrasound on the Aqueous Phase Hydrogenation of Cis-2-buten-1-ol and Cis-2-penten-1-ol on Pd-black

    SciTech Connect

    Disselkamp, Robert S.; Denslow, Kayte M.; Hart, Todd R.; White, James F.; Peden, Charles HF.

    2005-07-15

    We have studied the effect of cavitating ultrasound on the heterogeneous aqueous hydrogenation of cis-2-buten-1-ol (C4 olefin) and cis-2-penten-1-ol (C5 olefin) on Pd-black to form the trans-olefins (trans-2-buten-1-ol and trans-2-penten-1-ol) and saturated alcohols (1-butanol and 1-pentanol, respectively). Silent (and magnetically stirred) experiments served as control experiments. As described in an earlier publication by our group, we have added an inert dopant, 1-propanol, in the reaction mixture to ensure the rapid onset of cavitation in the ultrasound-assisted reactions that can lead to altered selectivity compared to silent reaction systems [Disselkamp et al., J. Catal., 227 (2004) 552]. The motivation for this study is to examine whether cavitating ultrasound can reduce the [trans-olefin/saturated alcohol] molar ratio during the course of the reaction. This could have practical application in that it may offer an alternative processing methodology of synthesizing healthier edible seed oils by reducing trans-fat content. We have observed that cavitating ultrasound results in a [(trans-olefin/saturated alcohol)ultrasound/(trans-olefin/saturated alcohol)silent] ratio quantity less than 0.5 at the reaction mid-point for both the C4 and C5 olefin systems. This indicates that ultrasound reduces trans-olefin production compared to the silent control experiment. Furthermore, there is an added 30% reduction for the C5 versus C4 olefin compounds again at reaction mid-point. We attribute differences in the ratio quantity as a moment of inertia effect. In principle, the C4 versus C5 olefins has a {approx}52% increase in moment of inertia about C2=C3 double bond slowing isomerization. Since seed oils are C18 multiple cis olefins and have an moment of inertia even greater than our C5 olefin here, our study suggests that even a greater reduction in trans-olefin content may occur for partial hydrogenation of C18 seed oils.

  1. The effect of cavitating ultrasound on the aqueous phase hydrogenation of cis-2-buten-1-ol and cis-2-penten-1-ol on Pd-black

    SciTech Connect

    Disselkamp, Robert S.; Denslow, Kayte M.; Hart, Todd R.; White, James F.; Peden, Charles HF.

    2005-07-15

    We have studied the effect of cavitating ultrasound on the heterogeneous aqueous hydrogenation of cis-2-buten-1-ol (C4 olefin) and cis-2-penten-1-ol (C5 olefin) on Pd-black to form the trans-olefins (trans-2-buten-1-ol and trans-2-penten-1-ol) and saturated alcohols (1-butanol and 1-pentanol, respectively). Silent (and magnetically stirred) experiments served as control experiments. As described in an earlier publication by our group, we have added an inert dopant, 1-propanol, in the reaction mixture to ensure the rapid onset of cavitation in the ultrasound-assisted reactions that can lead to altered selectivity compared to silent reaction systems [R.S. Disselkamp, Ya-Huei Chin, C.H.F. Peden, J. Catal. 227 (2004) 552]. The motivation for this study is to examine whether cavitating ultrasound can reduce the [trans-olefin/saturated alcohol] molar ratio during the course of the reaction. This could have practical application in that it may offer an alternative processing methodology of synthesizing healthier edible seed oils by reducing trans-fat content.We have observed that cavitating ultrasound results in a [(trans-olefin/saturated alcohol)ultrasound/(trans-olefin/saturated alcohol)silent] ratio quantity less than 0.5 at the reaction mid-point for both the C4 and C5 olefin systems. This indicates that ultrasound reduces trans-olefin production compared to the silent control experiment. Furthermore, there is an added 30% reduction for the C5 versus C4 olefin compounds again at reaction mid-point. We attribute differences in the ratio quantity as a moment of inertia effect. In principle, the C4 versus C5 olefins has a {approx}52% increase in moment of inertia about C2 C3 double bond slowing isomerization. Since seed oils are C18 multiple cis-olefins and have a moment of inertia even greater than our C5 olefin here, our study suggests that even a greater reduction in trans-olefin content may occur for partial hydrogenation of C18 seed oils.

  2. Thermodynamics of Organic Compound Alteration in Hydrothermal Systems

    NASA Astrophysics Data System (ADS)

    Shock, E. L.

    2005-12-01

    organic carbon into 1-pentanol and 1-hexanol. As the fugacity of H2 increases so does the complexity of the mixture of organic compounds that would result in the lowest energy state. However, the number of dominant compounds in the mixture decreases with increasing temperature for similar extents of reduction referenced to mineral buffered conditions.

  3. Chemoenzymatic synthesis of artificial glycopolypeptides containing multivalent sialyloligosaccharides with a gamma-polyglutamic acid backbone and their effect on inhibition of infection by influenza viruses.

    PubMed

    Ogata, Makoto; Murata, Takeomi; Murakami, Kouki; Suzuki, Takashi; Hidari, Kazuya I P J; Suzuki, Yasuo; Usui, Taichi

    2007-02-01

    Highly water-soluble, artificial glycopolypeptides with a gamma-polyglutamic acid (gamma-PGA) backbone derived from Bacillus subtilis sp. and multivalent sialyloligosaccharide units have been chemoenzymatically synthesized as potential polymeric inhibitors of infection by bird and human influenza viruses. 5-Trifluoroacetamidopentyl beta-N-acetyllactosaminide and 5-trifluoroacetamidopentyl beta-lactoside were enzymatically synthesized from LacNAc and lactose, respectively, by cellulase-mediated condensation with 5-trifluoroacetamido-1-pentanol. After deacetylation, the resulting 5-aminopentyl beta-LacNAc and beta-lactoside glycosides were coupled to the alpha-carboxyl groups of the gamma-PGA side chains. The artificial glycopolypeptides carrying LacNAc and lactose were further converted to Neu5Acalpha2-(3/6)Galbeta1-4Glcbeta and Neu5Acalpha2-(3/6)Galbeta1-4GlcNAcbeta sialyloligosaccharide units by alpha2,3- and alpha2,6-sialyltransferase, respectively. The interaction of these glycopolypeptides with various influenza virus strains has been investigated by three different methods. Glycopolypeptides carrying Neu5Acalpha2,6LacNAc inhibited hemagglutination mediated by influenza A and B viruses, and their relative binding affinities for hemagglutinin were 10(2)- to 10(4)-fold higher than that of the naturally occurring fetuin control. A glycopolypeptide carrying Neu5Acalpha2,6LacNAc inhibited infection by A/Memphis/1/71 (H3N2) 93 times more strongly than fetuin, as assessed by cytopathic effects on virus-infected MDCK cells. The avian virus [A/duck/Hong kong/4/78 (H5N3)] bound strongly to Neu5Acalpha2,3LacNAc/Lac-carrying glycopolypeptides, whereas the human virus [A/Memphis/1/71 (H3N2)] bound to Neu5Acalpha2,6LacNAc in preference to Neu5Acalpha2,6Lac. Taken together, these results indicate that the binding of viruses to terminal sialic acids is markedly affected by the structure of the asialo portion, in this case either LacNAc or lactose, in the sugar chain of

  4. Experimental study of the effect of test-well arrangement for partitioning interwell tracer test on the estimation of NAPL saturation

    NASA Astrophysics Data System (ADS)

    Kim, B.; Kim, Y.; Yeo, I.; Yongcheol Kim, In Wook Yeo

    2011-12-01

    Partitioning interwell tracer test (PITT) is a method to quantify and qualify a contaminated site with NAPLs through a degree of retardation of partitioning tracers compared to a conservative one. Although PITT is known to be a more effective method to measure the saturation of spatially-distributed NAPL contaminant than the point investigation method, the saturation estimation from PITT is reported to be underestimated due to various factors including heterogeneity of the media, adsorption, source zone NAPL architecture, and long tailing in breakthrough curves of partitioning tracers. Analytical description of PITT assumes that the injection-pumping well pair is on the line of ambient groundwater flow direction, but the test-well pair could easily be off the line in the field site, which could be another erroneous factor in analyzing PITT data. The purpose of this work is to study the influence of the angle of the test-well pair to ambient groundwater flow direction based on the result from PITT. The experiments were conducted in a small-scale 3D sandbox with dimensions of 0.5 m × 0.4 m × 0.15 m (LWH) of stainless steel. The surface is covered and sealed with a plexiglass plate to make the physical model a confined aquifer. Eight full-screened wells of Teflon material were installed along the perimeter of a 50 mm circle with 45 degree intervals in the middle of the physical model. Both ends of the sand box are connected to constant head reservoirs. The physical model was wet-packed with sieved and washed sand. Trichloroethylene (TCE) and bromide were used as the contaminant and the conservative tracer, respectively. Hexanol, 2,4-dimethyl-3-pentanol and 6-methyl-2-heptanol were used as partitioning tracers. Before the injection of TCE, a PITT was conducted to measure adsorption coefficient of partitioning tracers to the sand material. TCE of 4.5 mL, dyed with Sudan IV, was injected into the inner part of the circle of the wells. PITTs using the test-well pair

  5. A Unique Equation to Estimate Flash Points of Selected Pure Liquids Application to the Correction of Probably Erroneous Flash Point Values

    NASA Astrophysics Data System (ADS)

    Catoire, Laurent; Naudet, Valérie

    2004-12-01

    several flash points have been reported erroneously, whatever the reason, in one or several reference compilations. In the following lists, the currently accepted flash points for bold compounds err, or probably err, on the hazardous side by at least 10 °C and for the nonbolded compounds, the currently accepted flash points err, or probably err, on the nonhazardous side by at least 10 °C: bicyclohexyl, sec-butylamine, tert-butylamine, 2-cyclohexen-1-one, ethanethiol, 1,3-cyclohexadiene, 1,4-pentadiene, methyl formate, acetonitrile, cinnamaldehyde, 1-pentanol, diethylene glycol, diethyl fumarate, diethyl phthalate, trimethylamine, dimethylamine, 1,6-hexanediol, propylamine, methanethiol, ethylamine, bromoethane, 1-bromopropane, tert-butylbenzene, 1-chloro-2-methylpropane, diacetone alcohol, diethanolamine, 2-ethylbutanal, and formic acid. For some other compounds, no other data than the currently accepted flash points are available. Therefore, it cannot be assessed that these flash point data are erroneous but it can be stated that they are probably erroneous. At least, they need experimental re-examination. They are probably erroneous by at least 15 °C: 1,3-cyclopentadiene, di-tert-butyl sulfide, dimethyl ether, dipropyl ether, 4-heptanone, bis(2-chloroethyl)ether, 1-decanol, 1-phenyl-1-butanone, furan, ethylcyclopentane, 1-heptanethiol, 2,5-hexanediol, 3-hexanone, hexanoic acid methyl ester, 4-methyl-1,3-pentadiene, propanoyl chloride, tetramethylsilane, thiacyclopentane, 1-chloro-2-methyl-1-propene, trans-1,3-pentadiene, 2,3-dimethylheptane, triethylenetetramine, methylal, N-ethylisopropylamine, 3-methyl-2-pentene, and 2,3-dimethyl-1-butene.