WorldWideScience

Sample records for butane

  1. Diversity in Butane Monooxygenases among Butane-Grown Bacteria

    OpenAIRE

    Hamamura, Natsuko; Storfa, Ryan T.; Semprini, Lewis; Arp, Daniel J.

    1999-01-01

    Butane monooxygenases of butane-grown Pseudomonas butanovora, Mycobacterium vaccae JOB5, and an environmental isolate, CF8, were compared at the physiological level. The presence of butane monooxygenases in these bacteria was indicated by the following results. (i) O2 was required for butane degradation. (ii) 1-Butanol was produced during butane degradation. (iii) Acetylene inhibited both butane oxidation and 1-butanol production. The responses to the known monooxygenase inactivator, ethylene...

  2. Diversity in Butane Monooxygenases among Butane-Grown Bacteria

    Science.gov (United States)

    Hamamura, Natsuko; Storfa, Ryan T.; Semprini, Lewis; Arp, Daniel J.

    1999-01-01

    Butane monooxygenases of butane-grown Pseudomonas butanovora, Mycobacterium vaccae JOB5, and an environmental isolate, CF8, were compared at the physiological level. The presence of butane monooxygenases in these bacteria was indicated by the following results. (i) O2 was required for butane degradation. (ii) 1-Butanol was produced during butane degradation. (iii) Acetylene inhibited both butane oxidation and 1-butanol production. The responses to the known monooxygenase inactivator, ethylene, and inhibitor, allyl thiourea (ATU), discriminated butane degradation among the three bacteria. Ethylene irreversibly inactivated butane oxidation by P. butanovora but not by M. vaccae or CF8. In contrast, butane oxidation by only CF8 was strongly inhibited by ATU. In all three strains of butane-grown bacteria, specific polypeptides were labeled in the presence of [14C]acetylene. The [14C]acetylene labeling patterns were different among the three bacteria. Exposure of lactate-grown CF8 and P. butanovora and glucose-grown M. vaccae to butane induced butane oxidation activity as well as the specific acetylene-binding polypeptides. Ammonia was oxidized by all three bacteria. P. butanovora oxidized ammonia to hydroxylamine, while CF8 and M. vaccae produced nitrite. All three bacteria oxidized ethylene to ethylene oxide. Methane oxidation was not detected by any of the bacteria. The results indicate the presence of three distinct butane monooxygenases in butane-grown P. butanovora, M. vaccae, and CF8. PMID:10508093

  3. 21 CFR 582.1165 - Butane.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Butane. 582.1165 Section 582.1165 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS... Butane. (a) Product. Butane. (b) Conditions of use. This substance is generally recognized as safe when...

  4. 40 CFR 80.82 - Butane blending.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Butane blending. 80.82 Section 80.82... FUELS AND FUEL ADDITIVES Reformulated Gasoline § 80.82 Butane blending. A refiner for any refinery that produces gasoline by blending butane with conventional gasoline or reformulated gasoline or RBOB may meet...

  5. 21 CFR 184.1165 - n-Butane and iso-butane.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true n-Butane and iso-butane. 184.1165 Section 184.1165 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD... Listing of Specific Substances Affirmed as GRAS § 184.1165 n-Butane and iso-butane. (a) n-Butane and iso...

  6. An autopsy case of butane gas abuse.

    Science.gov (United States)

    Tanaka, Naoko; Kinoshita, Hiroshi; Haba, Reiji; Jamal, Mostofa; Ohkubo, Eriko; Ameno, Kiyoshi

    2010-10-01

    A case of fatal butane gas poisoning in a young female is presented. Quantitative toxicological analysis showed that the concentration of butane in the femoral blood was 6.8 microl/ml, and isobutane and propane were also identified. Severe congestion of the lungs and deposition of lipofuscin in the myocardium were also observed. We concluded that the cause of death of the victim was due to cardiac arrhythmia induced by the butane gas abuse.

  7. Ignition properties of n-butane and iso-butane in a rapid compression machine

    NARCIS (Netherlands)

    Gersen, S.; Mokhov, A. V.; Darmeveil, J. H.; Levinsky, H. B.

    Autoignition delay times of n-butane and iso-butane have been measured in a Rapid Compression Machine in the temperature range 660-1010 K, at pressures varying from 14 to 36 bar and at equivalence ratios phi = 1.0 and phi = 0.5. Both butane isomers exhibit a negative-temperature-coefficient (NTC)

  8. n-Butane isomerization over acidic mordenite

    NARCIS (Netherlands)

    Asuquo, Raymond A.; Asuquo, R.A.; Eder-Mirth, Gabriele; Mirth, G.C.; Lercher, J.A.

    1995-01-01

    Conversion of n-butane was studied between 523 K and 623 K over acidic mordenites with SiO2/Al2O3 ratios between 10 and 20. The main products were iso-butane, propane, and pentane. The selectivity to olefins, methane, ethane, C6 paraffins, and aromatics was lower than 4 mol% under all reaction

  9. Postmortem diffusion of n-butane and i-butane used for anticontagious plugging spray.

    Science.gov (United States)

    Okuda, Katsuhiro; Maseda, Chikatoshi; Asari, Masaru; Isozaki, Shotaro; Kiya, Hiroshi; Yajima, Daisuke; Shiono, Hiroshi; Shimizu, Keiko

    2016-03-01

    Blood and tissue samples from a forensic autopsy of a man in his late 60s, who developed dementia and died of multiple head traumas due to a fall from a moving vehicle, contained certain amounts of n-butane and i-butane. The concentration of n-butane was in the range of 0.48-70.5 μL/g, which would be considered as toxic or lethal levels. We had to distinguish whether the cause of his unexplained behavior was due to his pre-existing condition (dementia), or from a confused state induced by butane abuse. No traces of butane use were found at the scene. Police investigation revealed that a propellant used in an anticontagious plugging spray had been administered to him during a postmortem treatment in the emergency hospital. In order to prove the postmortem butane diffusion had resulted from the spray administration and to estimate the diffused concentration, experimental simulation was conducted by using rats. As a result of postmortem treatment with the spray, n-butane at concentrations of 0.54-15.5 μL/mL or g were found in the rat blood and tissues. In this case, we provided further evidence that the postmortem butane diffusion, caused by using the anticontagious plugging spray containing butane gas as a propellant administered to a cadaver during a postmortem procedure prior to forensic autopsy, should be distinguished from cases of actual butane poisoning. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  10. Quantitative determination of n-butane metabolites in three cases of butane sniffing death.

    Science.gov (United States)

    Sasao, Ako; Yonemitsu, Kosei; Ohtsu, Yuki; Mishima, Satoko; Nishitani, Yoko

    2015-09-01

    Butane is an addictive volatile substance like toluene. We report three forensic autopsy cases of sudden death that occurred while sniffing n-butane and isobutane from portable gas cartridges. n-Butane and isobutane were detected in all three cases. In cases 1-3, n-butane concentrations in heart blood were 54.3, 25.5, and 30.7μg/mL, respectively. These concentrations were considered fatal according to the previous reports. In addition, n-butane metabolites (2-butanol and 2-butanone) were detected in cases 1 and 3 but not in case 2. Blood levels of 2-butanol and 2-butanone were 6.5 and 1.8μg/mL, respectively, in case 1, and 6.3 and 5.6μg/mL, respectively, in case 3. According to the police investigation, the decedent in case 1 had misused butane gas for more than 6 months in the period leading up to death. The decedent in case 3 also had a history of chronic misuse of butane gas. There was no history of chronic misuse of butane gas by the decedent in case 2. It was suspected that he attempted suicide via inhalation of butane gas using a plastic bag, leading to a rapid death. The presence or absence of n-butane metabolites might reflect the way of butane inhalation, such as the frequency and duration. Although additional experimental and case studies are necessary to establish the forensic applications of n-butane metabolite detection, it may be a useful method to understand the decedents' pattern of butane sniffing before death. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  11. N-Butane To Replace Trichlorotrifluoroethane

    Science.gov (United States)

    Biesinger, Paul H.

    1995-01-01

    According to proposal, trichlorotrifluoroethane replaced by n-butane as solvent for removal of oils, greases, hydraulic fluids, and other oily surface contaminants. N-butane candidate is replacement fluid because physical and chemical properties relevant to use as solvent similar to corresponding properties of trichlorotrifluoroethane. Considerably less expensive. Major disadvantage is flammability. As in cases of other hydrocarbon fluids, flammability hazard minimized by engineering controls.

  12. Diffusion of n-butane/iso-butane mixtures in silicalite-1 investigated using infrared (IR) microscopy

    NARCIS (Netherlands)

    Chmelik, C.; Heinke, L.; van Baten, J.M.; Krishna, R.

    2009-01-01

    Adsorption and diffusion of n-butane/iso-butane mixtures in individual silicalite-1 crystals has been investigated using infrared (IR) microscopy. The equilibrium sorption isotherm for an equimolar gas phase mixture is calculated using Configurational Bias Monte-Carlo simulations. The comparison

  13. Microbiology: Deep-sea secrets of butane metabolism

    Science.gov (United States)

    Ragsdale, Stephen W.

    2016-11-01

    Anaerobic microbes have been found to break down the hydrocarbon butane by a pathway with some similarities to anaerobic methane breakdown. Harnessing the butane pathway might enable biofuel generation. See Article p.396

  14. 40 CFR 721.1925 - Substituted carboheterocyclic butane tetracarboxylate (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted carboheterocyclic butane... Specific Chemical Substances § 721.1925 Substituted carboheterocyclic butane tetracarboxylate (generic). (a... generically as substituted carboheterocyclic butane tetracarboxylate (PMNs P-90-440 and P-95-4) is subject to...

  15. The butane condensed matter conformational problem

    NARCIS (Netherlands)

    Weber, A.C.J.; de Lange, C.A.; Meerts, W.L.; Burnell, E.E.

    2010-01-01

    From the dipolar couplings of orientationally ordered n-butane obtained by NMR spectroscopy we have calculated conformer probabilities using the modified Chord (Cd) and Size-and-Shape (CI) models to estimate the conformational dependence of the order matrix. All calculation methods make use of

  16. N′-(Butan-2-ylidenefuran-2-carbohydrazide

    Directory of Open Access Journals (Sweden)

    He-ping Li

    2010-10-01

    Full Text Available The title Schiff base compound, C9H12N2O2, was obtained from a condensation reaction of butan-2-one and furan-2-carbohydrazide. The furan ring and the hydrazide fragment are roughly planar, the largest deviation from the mean plane being 0.069 (2Å, but the butanylidene group is twisted slightly with respect to this plane by a dihedral angle of 5.2 (3°. In the crystal, intermolecular N—H...O hydrogen bonds link pairs of inversion-related molecules, forming dimers of R22(8 graph-set motif.

  17. [Acute rhabdomyolysis due to butane inhalation. Report of two cases].

    Science.gov (United States)

    Khatouf, M; Ifkharen, B; Drissi, M; Housni, B; Harandou, M; Kanjaa, N

    2004-11-01

    Prolonged inhalation of gas butane induced mostly neurological and cardiovascular symptoms. We reported two very rare cases of acute rhabdomyolysis caused by accidental prolonged inhalation of butane. The early diagnosis and the symptomatic treatment were associated with favourable evolution in the two cases. The mechanism of this complication is discussed and compared with the literature.

  18. Exploring Butane Hash Oil Use: A Research Note.

    Science.gov (United States)

    Miller, Bryan Lee; Stogner, John M; Miller, J Mitchell

    2016-01-01

    The practice of "dabbing" has seen an apparent upswing in popularity in recent months within American drug subcultures. "Dabbing" refers to the use of butane-extracted marijuana products that offer users much higher tetrahydrocannabinol content than flower cannabis through a single dosage process. Though considerably more potent than most marijuana strains in their traditional form, these butane hash oil products and the practice of dabbing are underexplored in the empirical literature, especially in prohibition states. A mixed-methods evaluation of a federally funded treatment program for drug-involved offenders identified a small sample (n = 6) of butane hash oil users and generated focus group interview data on the nature of butane hash oil, the practice of dabbing, and its effects. Findings inform discussion of additional research needed on butane hash oil and its implications for the ongoing marijuana legalization debate, including the diversity of users, routes of administration, and differences between retail/medical and prohibition states.

  19. 40 CFR 80.835 - What requirements apply to butane blenders?

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false What requirements apply to butane blenders? 80.835 Section 80.835 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR... Requirements § 80.835 What requirements apply to butane blenders? Butane blenders who blend butane into...

  20. Liquid butane filled load for a liner driven Pegasus experiment

    CERN Document Server

    Salazar, M A; Atchison, W; Armijo, E; Bartos, Yu; García, F; Randolph, B; Sheppard, M G

    2001-01-01

    Summary form only given, as follows. A hydrogen rich, low density liquid, contained within the internal volume of a cylindrical liner, was requested of the Polymers and Coatings Group (MST-7) of the Los Alamos Materials Science Division for one of the last liner driven experiments conducted on the Los Alamos Pegasus facility. The experiment required massive tungsten glide planes for inertial confinement of the liner fill media during implosion. Shallow sinusoidal perturbations were machined on the inside surface of the liner to seed instabilities, also true of the previous experiments. Butane was selected for a relatively low equilibrium vapor pressure, a practical attribute for use in the Pegasus vacuum power flow channel. Butane safety topics at Pegasus will be addressed. Glide planes were sealed to the liner by use of butane compatible o-rings. A sintered form of tungsten was used for the glide planes to facilitate machining the relatively complex shapes that were required. Porosity of the tungsten was sea...

  1. 40 CFR 721.1920 - 1,4-Bis(3-hydroxy-4-benzoylphenoxy)butane.

    Science.gov (United States)

    2010-07-01

    ...)butane. 721.1920 Section 721.1920 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... Specific Chemical Substances § 721.1920 1,4-Bis(3-hydroxy-4-benzoylphenoxy)butane. (a) Chemical substance...-hydroxy-4-benzoylphenoxy)butane (PMN P-93-483) is subject to reporting under this section for the...

  2. French butane propane committee. 2003 activity report; Comite Francais du Butane et du Propane. Rapport d'activite 2003

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-05-01

    This activity report presents the 2003 status of the actions carried out by the French butane and propane committee (CFBP) for the development of the liquefied petroleum gas (LPG) industry in France. While the past year has seen the butane, propane and LPG-fuel sales following the decay started 4 years ago, in 2004 the CFBP has reinforced its actions of public information about the LPG energy choice and has carried out several projects in order to improve the safety of LPG tanks and storage facilities, one of the first concern of LPG industry. (J.S.)

  3. Butane-1,4-diyl bis(pyridine-4-carboxylate

    Directory of Open Access Journals (Sweden)

    J. Muthukumaran

    2011-07-01

    Full Text Available The molecule of the title compound, C16H16N2O4, lies about an inversion centre; the butane chain adopts an extended zigzag conformation. The dihedral angle between the pyridine ring and the adjacent COO group is 3.52 (s14°.

  4. Dehydroisomerization of n-butane over Pt-ZSM5

    NARCIS (Netherlands)

    Pirngruber, G.D.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    A kinetic model is applied to describe the dehydroisomerization of n-butane to isobutene over Pt–ZSM5. It is compared with experimental data and used to show how a combination of kinetics and thermodynamics affects the obtained yields. High temperatures reduced the selectivity to by-product

  5. Autoerotic accident by inhalation of propane-butane gas mixture.

    Science.gov (United States)

    Jackowski, Christian; Römhild, Wolfgang; Aebi, Beat; Bernhard, Werner; Krause, Dieter; Dirnhofer, Richard

    2005-12-01

    We present a case of an accidental autoerotic death involving the inhalation of a propane-butane gas mixture, also known as LPG (liquefied petroleum gas). A 19-year-old male was found dead in supine position in his bed in a residential accommodation one day after he was last seen alive. On a personal computer at the end of the bed, a pornographic movie was still running. On his left shoulder, an empty rubber balloon and on the bedside 2 empty "Kisag-Gas" cartridges were found. Toxicologic investigations revealed an intoxication with propane and butane, together with a recent consumption of cannabis. This case report compares the toxicologic findings with other recently published cases, and the theories of the toxic effects are discussed.

  6. Two cases of acute propane/butane poisoning in prison.

    Science.gov (United States)

    Rossi, Riccardo; Suadoni, Fabio; Pieroni, Ludovica; De-Giorgio, Fabio; Lancia, Massimo

    2012-05-01

    Hydrocarbon inhalation is seldom chosen as a means to commit suicide. This practice is exclusively a prerogative of the prison population; it is, however, only exceptionally found in this environment. The two cases of lethal inhalation of propane/butane gas observed by us over a very short time occurred in this context. Toxicologic analyses were performed by means of gas chromatography (head space) and revealed a propane/butane mixture in all specimens (heart blood, bile, and urine) except vitreous humor. Although fatal arrhythmia posthydrocarbon gas abuse is well known, the concentrations of the two hydrocarbons were sufficient to induce death by asphyxiation and were distributed (fairly) homogeneously in all biological fluids and organs examined, a parameter permitting one to assume that death occurred within a relatively short period of time. The absence of finding in vitreous humor and the trace amount in urine suggests that both men died very quickly. © 2011 American Academy of Forensic Sciences.

  7. Antimicrobial activity of stereoisomers of butane-type lignans.

    Science.gov (United States)

    Kawaguchi, Yuya; Yamauchi, Satoshi; Masuda, Kenta; Nishiwaki, Hisashi; Akiyama, Koichi; Maruyama, Masafumi; Sugahara, Takuya; Kishida, Taro; Koba, Yojiro

    2009-08-01

    The relationship between the stereochemistry and antimicrobial activity of butane-type lignans was clarified. All stereoisomers of dihydroguaiaretic acid (DGA) showed both antibacterial and antifungal activity. The (+)- and (-)-7,7'-dioxodihydroguaiaretic acid (ODGA) also showed both antibacterial and antifungal activity, while meso-ODGA did not show antibacterial activity, but showed antifungal activity. No activity of any stereoisomer of secoisolariciresinol (SECO) was apparent.

  8. A critical analysis on the rotation barriers in butane.

    Science.gov (United States)

    Mo, Yirong

    2010-04-16

    As a textbook prototype for the introduction of steric hindrance in organic chemistry, the elucidation of the butane rotation barriers is fundamental for structural theory, and requires a consistent theoretical model to differentiate the steric and electronic effects. Here we employed the BLW method to probe the electronic (hyperconjugative) interactions. Results show that although there are stronger hyperconjugative interactions in the staggered anti and gauche conformers than the eclipsed structures, the energy curve and barriers are dominated by the steric repulsion.

  9. Thermophilic archaea activate butane via alkyl-coenzyme M formation.

    Science.gov (United States)

    Laso-Pérez, Rafael; Wegener, Gunter; Knittel, Katrin; Widdel, Friedrich; Harding, Katie J; Krukenberg, Viola; Meier, Dimitri V; Richter, Michael; Tegetmeyer, Halina E; Riedel, Dietmar; Richnow, Hans-Hermann; Adrian, Lorenz; Reemtsma, Thorsten; Lechtenfeld, Oliver J; Musat, Florin

    2016-11-17

    The anaerobic formation and oxidation of methane involve unique enzymatic mechanisms and cofactors, all of which are believed to be specific for C1-compounds. Here we show that an anaerobic thermophilic enrichment culture composed of dense consortia of archaea and bacteria apparently uses partly similar pathways to oxidize the C4 hydrocarbon butane. The archaea, proposed genus 'Candidatus Syntrophoarchaeum', show the characteristic autofluorescence of methanogens, and contain highly expressed genes encoding enzymes similar to methyl-coenzyme M reductase. We detect butyl-coenzyme M, indicating archaeal butane activation analogous to the first step in anaerobic methane oxidation. In addition, Ca. Syntrophoarchaeum expresses the genes encoding β-oxidation enzymes, carbon monoxide dehydrogenase and reversible C1 methanogenesis enzymes. This allows for the complete oxidation of butane. Reducing equivalents are seemingly channelled to HotSeep-1, a thermophilic sulfate-reducing partner bacterium known from the anaerobic oxidation of methane. Genes encoding 16S rRNA and methyl-coenzyme M reductase similar to those identifying Ca. Syntrophoarchaeum were repeatedly retrieved from marine subsurface sediments, suggesting that the presented activation mechanism is naturally widespread in the anaerobic oxidation of short-chain hydrocarbons.

  10. Butane and iso-butane content of gasification in benzination and aromatization with fuller's earth catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Reitz, L.

    1943-06-01

    The butane and isobutane content of gasification in vapor phase splitting with fuller's earth catalysts was chiefly a function of temperature and only dependent in a lesser degree on other conditions (for example, active components of fuller's earth, 250 or 600 atmospheres, or starting material). An accompanying graph shows corresponding values which were gained with the one-stage 600 atmosphere splitting (mild aromatization), as well as with 250 and 600 atmosphere aromatization of butuminous coal liquefaction middle oils and other pure oils at 200 to 250 and partly at 600 atmospheres. Only with the highest aromatization temperatures did the isobutane content of gasification correspond to the butane-isobutane equilibrium. At lower temperratures the isomerization equilibrium was not gained with the fuller's earth catalyst, and the amount of isobutane produced by splitting lay in an increasing measure above the equilibrium value.

  11. Oxidation of butane to butanol coupled to electrochemical redox reaction of NAD+/NADH.

    Science.gov (United States)

    Kang, Hye Sun; Na, Byung Kwan; Park, Doo Hyun

    2007-08-01

    A crude cell extract from a butane-utilizing bacterium, Alcaligenes sp., catalyzed the oxidation of butane to butanol coupled to NADH. A graphite electrode modified with Neutral Red (NR-electrode) catalyzed the reduction of NAD(+) to NADH. About 4.9 mM butanol was produced from 50% n-butane/O(2) mixture through the combined reactions of the crude enzyme and the NR-electrode in 250 ml reactor for 3 h.

  12. French butane propane committee. 2003 activity report; Comite francais du butane et du propane. Rapport d'activite 2003

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2003 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  13. French butane propane committee. 2004 activity report; Comite francais du butane et du propane. Rapport d'activite 2004

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    This activity report presents the French butane-propane committee (CFBP), an association for the promotion of liquefied petroleum gases (LPG), the characteristics of LPG fuels, the LPG market and its evolution, the CFBP's missions and the 2004 highlights: representation of subscribing companies, participation to standardization works, making techniques and regulations change, improving the safety of equipments and installations, training and information, promoting LPG products. (J.S.)

  14. [Cardiac arrest and hypothermia caused by suicidal intoxication with butane: a case report].

    Science.gov (United States)

    Jansen, Gerrit; Mertzlufft, Fritz; Kirchhoff, Carsten; Bach, Friedhelm

    2012-02-01

    In the emergency medicine field cases of intoxication by sniffing agents do not occur very often. Nevertheless, considering the easy availability of butane the option of abuse especially by adolescent persons cannot be ignored. Although many cases of accidental death caused by malignant arrhythmia are described ("Sudden sniffing death syndrome"), suicide attempts using butane are a rarity. In this case the emergency treatment has to allow for special pathophysiological changes explained by physicochemical characteristics of butane. The following case report describes the symptomatology and pre-hospital treatment of an intoxication by butane with a suicidal intention. © Georg Thieme Verlag Stuttgart · New York.

  15. Butane Hash Oil Burns Associated with Marijuana Liberalization in Colorado.

    Science.gov (United States)

    Bell, Cameron; Slim, Jessica; Flaten, Hanna K; Lindberg, Gordon; Arek, Wiktor; Monte, Andrew A

    2015-12-01

    Butane hash oil (BHO), also known as "amber," "dab," "glass," "honey," "shatter," or "wax," is a potent marijuana concentrate, containing up to 90 % tetrahydrocannabinol (THC). BHO is easily manufactured using highly volatile butane as a solvent. Our objective was to characterize hydrocarbon burns associated with BHO manufacture in Colorado. This was a cross-sectional study utilizing the National Burn Repository to capture all hydrocarbon burns reported to the local burn center from January 1st, 2008, through August 31st, 2014. We abstracted demographic and clinical variables from medical records for patients admitted for hydrocarbon burns associated with butane hash oil extraction. Twenty-nine cases of BHO burns were admitted to the local burn center during the study period. Zero cases presented prior to medical liberalization, 19 (61.3 %) during medical liberalization (Oct 2009-Dec 2013), and 12 (38.7 %) in 2014 since legalization. The majority of cases were Caucasian (72.4 %) males (89.7 %). Median age was 26 (range 15-58). The median total-body-surface-area (TBSA) burn size was 10 % (TBSA range 1-90 %). Median length of hospital admission was 10 days. Six required intubation for airway protection (21 %). Nineteen required skin grafting, eight wound care only, one required surgical fracture repair, and one required surgical debridement. Hydrocarbon burns associated with hash oil production have increased since the liberalization of marijuana policy in Colorado. A combination of public health messaging, standardization of manufacturing processes, and worker safety regulations are needed to decrease the risks associated with BHO production.

  16. 2,3-Bis[(3-methylbiphenyl-4-ylimino]butane

    Directory of Open Access Journals (Sweden)

    Jingjing Chen

    2014-04-01

    Full Text Available The title compound, C30H28N2, is a product of the condensation reaction of 2-methyl-4-phenylaniline and butane-2,3-dione. The molecule lies on a crystallographic inversion centre. The C=N bond has an E conformation. The dihedral angle between the two benzene rings of the 4-phenyl-2-methylphenyl group is 29.19 (76°. The 1,4-diazabutadiene plane makes an angle of 70.1 (10° with the N-bonded methylphenyl ring and an angle of 81.08 (97° with the terminal phenyl group.

  17. Radiation chemical behavior of aqueous butanal oxime solutions irradiated with helium ion beams

    Science.gov (United States)

    Costagliola, A.; Venault, L.; Deroche, A.; Garaix, G.; Vermeulen, J.; Omnee, R.; Duval, F.; Blain, G.; Vandenborre, J.; Fattahi-Vanani, M.; Vigier, N.

    2016-02-01

    Samples of butanal oxime in aqueous solution have been irradiated with the helion (4He2+) beam of the ARRONAX (Nantes) and the CEMHTI (Orléans) cyclotrons. The consumption yield of butanal oxime has been measured by gas-chromatography coupled with mass spectrometry. Yields of gaseous products (mainly H2) have also been measured by micro-gas-chromatography. Butanal oxime can react with H• radicals by abstraction mechanism to enhance H2 production. Yields of liquid phase products (hydrogen peroxide and nitrite ion) have been measured by colorimetric methods. Butanal oxime acts as a scavenger of OH• radical to inhibit the production of H2O2. The observation of the radiolytic products allows then to discuss a degradation mechanism of butanal oxime in aqueous solutions.

  18. Laboratory studies of butane nucleation on organic haze particles: application to Titan's clouds.

    Science.gov (United States)

    Curtis, Daniel B; Glandorf, David L; Toon, Owen B; Tolbert, Margaret A; McKay, Christopher P; Khare, Bishun N

    2005-02-24

    Titan, Saturn's largest satellite, has a thick nitrogen/methane atmosphere with various hydrocarbons present in minor amounts. Recent observations suggest that CH4 may condense to form clouds near the moon's tropopause. Titan's methane cloud formation is probably triggered by a sequential nucleation of hydrocarbons onto Titan's haze material as tropospheric convection occurs due to differential heating of the surface or as the haze settles through the lower stratosphere. To better constrain Titan's cloud formation mechanism, investigations of the nucleation of several hydrocarbons will be necessary. Butane was chosen for this study because it has a relatively high freezing point and is estimated to be present at 200 part per billion levels. If this amount of butane were to condense on each haze particle, a visible cloud would be observed. Laboratory measurements at T = 125 K were performed to determine the relative ease of solid butane nucleation onto laboratory-produced tholin particles having an elemental composition of C5H5N, and solid films of hexane and acetonitrile. We find that butane nucleation onto the haze particles requires a relatively high saturation ratio of S > 1.30. Because butane nucleation is difficult, it may occur on only a very small subset of the total haze particles available. Such selective nucleation of butane would lead to those particles becoming coated with significant amounts of butane. Requiring a high saturation ratio for butane nucleation will reduce the optical depth of butane clouds by a factor of 100 because the particles will be fewer in number for a given condensed mass.

  19. Cool diffusion flames of butane isomers activated by ozone in the counterflow

    KAUST Repository

    Alfazazi, Adamu

    2018-02-02

    Ignition in low temperature combustion engines is governed by a coupling between low-temperature oxidation kinetics and diffusive transport. Therefore, a detailed understanding of the coupled effects of heat release, low-temperature oxidation chemistry, and molecular transport in cool flames is imperative to the advancement of new combustion concepts. This study provides an understanding of the low temperature cool flame behavior of butane isomers in the counterflow configuration through the addition of ozone. The initiation and extinction limits of butane isomers’ cool flames have been investigated under a variety of strain rates. Results revealed that, with ozone addition, establishment of butane cool diffusion flames was successful at low and moderate strain rates. iso-Butane has lower reactivity than n-butane, as shown by higher fuel mole fractions needed for cool flame initiation and lower extinction strain rate limits. Ozone addition showed a significant influence on the initiation and sustenance of cool diffusion flames; as ozone-less cool diffusion flame of butane isomers could not be established even at high fuel mole fractions. The structure of a stable n-butane cool diffusion flame was qualitatively examined using a time of flight mass spectrometer. Numerical simulations were performed using a detailed chemical kinetic model and molecular transport to simulate the extinction limits of the cool diffusion flames of the tested fuels. The model qualitatively captured experimental trends for both fuels and ozone levels, but over-predicted extinction limits of the flames. Reactions involving low-temperature species predominantly govern extinction limits of cool flames. The simulations were used to understand the effects of methyl branching on the behavior of n-butane and iso-butane cool diffusion flames.

  20. [Case report of butane intoxication with fatal outcome].

    Science.gov (United States)

    Kirichek, A V; Rassinskaia, L A; Shirokova, L V; Simonov, E A

    2009-01-01

    Forensic medical examiners know numerous cases of non-occupational intoxication (e.g. suicide, drug intoxication, household poisoning) but rarely encounter cases of occupational poisoning with household gases. Collection of forensic chemical facts testifying to the presence of saturated hydrocarbons in blood and other tissues is a challenging task. It hampers evaluation of their toxic effect on human brain for the purpose of forensic medical examination. A method is proposed for the analysis of biological materials allowing for the detection of natural alkanes, such as butane, along with recommendations on taking samples for chemical analysis in suspected cases of poisoning with household gases. The method is designed to be employed in combination with up-to-date analytical techniques, such as capillary gas chromatography and mass spectrometry.

  1. [Diversity of culturable butane-oxidizing bacteria in oil and gas field soil].

    Science.gov (United States)

    Zhang, Ying; Li, Bao-Zhen; Yang, Jin-Shui; Wang, Shuang-Qing; Yuan, Hong-Li

    2012-01-01

    Butane-oxidizing bacteria in soil sample sites from Puguang gas field in Sichuan province and Jianghan oil field in Hubei province were isolated and 16S rRNA gene sequence and phylogenetic analysis were applied. The differences of number and phylogenetic position and population diversity of hydrocarbon-oxidizing bacteria in different environment were investigated. The results show that 25 strains of butane-oxidizing bacteria were isolated. Based on sequencing of 16S rRNA gene, the species of bacteria in two samples are classified into 3 phyla including Firmicutes, Actinobacteria and Proteobacteria. The community structure of butane-oxidizing bacteria isolated from two oil samples is simple, both of them contain 4 genus including Bacillus, Pseudomonas, Rhodococcus and Arthrobacter. Strains in the genus of Ochrobactrum and Mycobacterium were only isolated from Puguang gas field. The number and population diversity of butane-oxidizing bacteria in Puguang gas field was more than those in Jianghan oil field.

  2. PHYSICAL PROPERTIES OF FLUORINATED PROPANE AND BUTANE DERIVATIVES AS ALTERNATIVE REFRIGERANTS

    Science.gov (United States)

    Physical property measurements are presented for 24 fluorinated propane and butane derivatives and one fluorinated ether. These measurements include melting point, boiling point, vapor pressure below the boiling point, heat of vaporization at the boiling point, critical propertie...

  3. Catalytic reactive distillation process development for 1,1 diethoxy butane production from renewable sources.

    Science.gov (United States)

    Agirre, I; Barrio, V L; Güemez, B; Cambra, J F; Arias, P L

    2011-01-01

    Some acetals can be produced from renewable resources (bioalcohols) and seem to be good candidates for different applications such as oxygenated diesel additives. In the present case the production of 1,1 diethoxy butane from bioethanol and butanal is presented. Butanal can be obtained from biobutanol following a partial oxidation or a dehydrogenation process. In this paper innovative process development about the synthesis of the mentioned acetal including catalytic reactive distillation experimental and simulation results will be presented and discussed. Katapak SP modules containing Amberlyst 47 resin were used as structured catalytic packings. This reactive system allowed reaching higher conversions than the equilibrium ones at the same temperatures. All the experimental data gathered allowed to tune a simulation model for the reactive distillation operation which showed a fairly good behavior in order to perform initial 1,1 diethoxy butane production process design studies. Copyright © 2010 Elsevier Ltd. All rights reserved.

  4. Cellular Lipids of a Nocardia Grown on Propane and n-Butane

    Science.gov (United States)

    Davis, J. B.

    1964-01-01

    Lipid fractions of propane- and n-butane-grown nocardial cells each contain a chloroform-soluble, ether-insoluble polymer not observed previously in liquid n-alkane-grown cells. The polymer in propane-grown cells is poly-β-hydroxybutyrate. The polymer in n-butane-grown cells apparently contains unsaturation in the molecule, and is identified tentatively as a co-polymer of β-hydroxybutyric and β-hydroxybutenoic (specifically 3-hydroxy 2-butenoic) acids. The other major component of the lipid fraction consists of triglycerides containing principally palmitic and stearic acids. There seems to be little qualitative distinction in the glycerides of propane- or n-butane-grown cells. Oxidative assimilation of n-butane is described. PMID:14199017

  5. AROMATIC AND POLYCYCLIC AROMATIC HYDROCARBON FORMATION IN A LAMINAR PREMIXED N-BUTANE FLAME. (R825412)

    Science.gov (United States)

    AbstractExperimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane¯oxygen¯argon burner s...

  6. Syntrophic Interactions Within a Butane-Oxidizing Bacterial Consortium Isolated from Puguang Gas Field in China.

    Science.gov (United States)

    Zhang, Ying; Deng, Chun-Ping; Shen, Bin; Yang, Jin-Shui; Wang, En-Tao; Yuan, Hong-Li

    2016-10-01

    Butane oxidation by the hydrocarbon degradation bacteria has long been described, but little is known about the microbial interaction in this process. To investigate this interaction, the efficiency of butane oxidation was estimated in monocultures and co-cultures of six strains of butane-oxidizing bacteria (BOB) and a butanol-oxidizing strain. Results showed that the butane degradation velocity was at least 26 times higher in the co-culture of the seven strains (228.50 nmol h(-1)) than in the six individual monocultures (8.71 nmol h(-1)). Gas chromatographic analysis of metabolites in the cultures revealed the accumulation of butanol in the monocultures of BOB strains but not in the co-culture with the butanol-oxidizing strain. These results evidenced a novel syntrophic association between BOB and butanol-oxidizing bacteria in the butane oxidation. The BOB strains oxidized butane into butanol, but this activity was inhibited by the accumulated butanol in monocultures, whereas the removal of butanol by the butanol-oxidizing strain in co-culture could eliminate the suppression and improve the butane degradation efficiency. In the co-culture, both BOB and butanol-oxidizing bacteria could grow and the time needed for butane complete removal was shortened from more than 192 h to less than 4 h. The unsuppressed effect of the co-culture was also consistent with the results of reverse transcription quantitative real-time PCR (RT-qPCR) of bmoX gene because increased expression of this gene was detected during the syntrophic growth compared with that in monoculture, pointing to the upregulation of bmoX in the syntrophic interaction.

  7. Study of a butane monolayer adsorbed on single-walled carbon nanotubes.

    Science.gov (United States)

    Rawat, Dinesh S; Furuhashi, T; Migone, A D

    2009-01-20

    We present the results of a study of first-layer butane films adsorbed on single-walled carbon nanotubes. We measured 12 isotherms between 180 and 311 K. Butane molecules bind more strongly than shorter alkanes to the nanotubes. We measured a value of 391 meV for the low-coverage isosteric heat of butane. This value is 1.21 times larger than that for butane adsorbed on planar graphite and 1.27 times larger than the value for ethane on nanotubes at comparable coverages. We also compared the characteristics of the adsorption isotherms for butane with those we determined for ethane at the same relative temperatures. This comparison allowed us to infer that there is a change in the adsorption behavior of linear alkanes which occurs as a function of increasing carbon chain length. While ethane isotherms display two substeps in the first layer (corresponding to adsorption on different groups of adsorption sites), one of these steps is significantly smeared for butane isotherms, becoming essentially impossible to resolve above 220 K.

  8. Chloroform Cometabolism by Butane-Grown CF8, Pseudomonas butanovora, and Mycobacterium vaccae JOB5 and Methane-Grown Methylosinus trichosporium OB3b

    OpenAIRE

    Hamamura, N.; Page, C.; Long, T.; Semprini, L; Arp, D J

    1997-01-01

    Chloroform (CF) degradation by a butane-grown enrichment culture, CF8, was compared to that by butane-grown Pseudomonas butanovora and Mycobacterium vaccae JOB5 and to that by a known CF degrader, Methylosinus trichosporium OB3b. All three butane-grown bacteria were able to degrade CF at rates comparable to that of M. trichosporium. CF degradation by all four bacteria required O(inf2). Butane inhibited CF degradation by the butane-grown bacteria, suggesting that butane monooxygenase is respon...

  9. Effective Subcritical Butane Extraction of Bifenthrin Residue in Black Tea.

    Science.gov (United States)

    Zhang, Yating; Gu, Lingbiao; Wang, Fei; Kong, Lingjun; Qin, Guangyong

    2017-03-30

    As a natural and healthy beverage, tea is widely enjoyed; however, the pesticide residues in tea leaves affect the quality and food safety. To develop a highly selective and efficient method for the facile removal of pesticide residues, the subcritical butane extraction (SBE) technique was employed, and three variables involving temperature, time and extraction cycles were studied. The optimum SBE conditions were found to be as follows: extraction temperature 45 °C, extraction time 30 min, number of extraction cycles 1, and in such a condition that the extraction efficiency reached as high as 92%. Further, the catechins, theanine, caffeine and aroma components, which determine the quality of the tea, fluctuated after SBE treatment. Compared with the uncrushed leaves, pesticide residues can more easily be removed from crushed leaves, and the practical extraction efficiency was 97%. These results indicate that SBE is a useful method to efficiently remove the bifenthrin, and as appearance is not relevant in the production process, tea leaves should first be crushed and then extracted in order that residual pesticides are thoroughly removed.

  10. Combustion Characteristics of Butane Porous Burner for Thermoelectric Power Generation

    Directory of Open Access Journals (Sweden)

    K. F. Mustafa

    2015-01-01

    Full Text Available The present study explores the utilization of a porous burner for thermoelectric power generation. The porous burner was tested with butane gas using two sets of configurations: single layer porcelain and a stacked-up double layer alumina and porcelain. Six PbSnTe thermoelectric (TE modules with a total area of 54 cm2 were attached to the wall of the burner. Fins were also added to the cold side of the TE modules. Fuel-air equivalence ratio was varied between the blowoff and flashback limit and the corresponding temperature, current-voltage, and emissions were recorded. The stacked-up double layer negatively affected the combustion efficiency at an equivalence ratio of 0.20 to 0.42, but single layer porcelain shows diminishing trend in the equivalence ratio of 0.60 to 0.90. The surface temperature of a stacked-up porous media is considerably higher than the single layer. Carbon monoxide emission is independent for both porous media configurations, but moderate reduction was recorded for single layer porcelain at lean fuel-air equivalence ratio. Nitrogen oxides is insensitive in the lean fuel-air equivalence ratio for both configurations, even though slight reduction was observed in the rich region for single layer porcelain. Power output was found to be highly dependent on the temperature gradient.

  11. Effective Subcritical Butane Extraction of Bifenthrin Residue in Black Tea

    Directory of Open Access Journals (Sweden)

    Yating Zhang

    2017-03-01

    Full Text Available As a natural and healthy beverage, tea is widely enjoyed; however, the pesticide residues in tea leaves affect the quality and food safety. To develop a highly selective and efficient method for the facile removal of pesticide residues, the subcritical butane extraction (SBE technique was employed, and three variables involving temperature, time and extraction cycles were studied. The optimum SBE conditions were found to be as follows: extraction temperature 45 °C, extraction time 30 min, number of extraction cycles 1, and in such a condition that the extraction efficiency reached as high as 92%. Further, the catechins, theanine, caffeine and aroma components, which determine the quality of the tea, fluctuated after SBE treatment. Compared with the uncrushed leaves, pesticide residues can more easily be removed from crushed leaves, and the practical extraction efficiency was 97%. These results indicate that SBE is a useful method to efficiently remove the bifenthrin, and as appearance is not relevant in the production process, tea leaves should first be crushed and then extracted in order that residual pesticides are thoroughly removed.

  12. Easy to use plastic optical fiber-based biosensor for detection of butanal.

    Directory of Open Access Journals (Sweden)

    Nunzio Cennamo

    Full Text Available The final goal of this work is to achieve a selective detection of butanal by the realization of a simple, small-size and low cost experimental approach. To this end, a porcine odorant-binding protein was used in connection with surface plasmon resonance transduction in a plastic optical fiber tool for the selective detection of butanal by a competitive assay. This allows to reduce the cost and the size of the sensing device and it offers the possibility to design a "Lab-on-a-chip" platform. The obtained results showed that this system approach is able to selectively detect the presence of butanal in the concentration range from 20 μM to 1000 μM.

  13. A teenager with angiographically normal epicardial coronary arteries and acute myocardial infarction after butane inhalation.

    Science.gov (United States)

    El-Menyar, Ayman A; El-Tawil, Mohammed; Al Suwaidi, Jassim

    2005-06-01

    The most common cause of death among volatile substance abusers is sudden cardiac death. To the best of our knowledge, butane-induced myocardial infarction is a rare presentation among teenagers. We report on a 14-year-old male student who sustained cardiopulmonary arrest after sniffing seven canisters of butane. He was found to have extensive anterior myocardial infarction complicated by ventricular fibrillation. Cardiac catheterization revealed patent coronary arteries with severe anterolateral and apical left ventricular wall hypokinesia. We assume that cardiac complications after butane inhalations may partly be secondary to intense coronary artery spasm on the basis of the clinical and laboratory findings. This assumption may have major therapeutic implications in this patient population.

  14. [Toxicological and medico-legal analyses of sudden deaths resulting from butane inhalation].

    Science.gov (United States)

    Nowicka, Joanna; Kulikowska, Joanna; Korczyńska, Małgorzata; Celiński, Rafał; Chowaniec, Czesław

    2011-01-01

    Butane is known to be a suffocating gas with narcotic activity, especially at high concentrations. Within the past five years, a few cases of sudden deaths in teenage boys who had inhaled butane, a component of gas for lighters, were investigated in the Forensic Medicine Department, Medical University of Silesia, Katowice. Analyses of biological materials secured at autopsies and evidence from places of deaths was carried out using GC/FID. Butane was found in blood, lung and brain samples of the deceased. Moreover, histopathological examinations were performed. Results of autopsies and additional analyses were appraised from the point of view of their significance and usefulness in giving medico-legal opinions on the cause of death.

  15. Oxidative Dehydrogenation of n-​Butane: Activity and Kinetics Over VOx​/Al2O3 Catalysts

    NARCIS (Netherlands)

    Madaan, N.; Haufe, R.; Shiju, N.R.; Rothenberg, G.

    2014-01-01

    The catalytic activity of a VOx/Al2O3 catalyst for the oxidative dehydrogenation of n-​butane is investigated. The effects of reaction temp., oxygen to n-​butane ratio and GHSV on the catalytic performance are examd. and optimized. Interestingly, this simple catalyst gives good conversion and

  16. Laboratory, Field, and Modeling Studies of Aerobic Cometabolism of CAHs by Butane-Utilizing Microorganisms

    Science.gov (United States)

    Mathias, M.; Semprini, L.; Dolan, M. E.; McCarty, P. L.; Hopkins, G. D.

    2002-12-01

    The ability of butane-utilizing microorganisms to aerobically cometabolize a mixture of chlorinated aliphatic hydrocarbons (CAHs) in laboratory microcosms and in an in-situ field demonstration was modeled using parameter values measured in laboratory experiments. The butane grown culture was inoculated into soil and groundwater microcosms and exposed to butane with several repeated additions of 1,1,1-trichloroethane (TCA), 1,1-dichloroethylene (1,1-DCE), and 1,1-dichloroethane (1,1-DCA) at aqueous concentrations of 200 μg/L, 100 μg/L, and 200 μg/L, respectively. The utilization of butane and the transformation of the CAH mixture in the batch microcosms were simulated using differential equations accounting for Michaelis-Menten kinetics with cell growth and decay, substrate utilization, transformation product toxicity, and substrate inhibition of CAH transformation. Both competitive inhibition kinetics and mixed inhibition kinetics, determined in prior laboratory studies, were included in the model construct. The equations were solved simultaneously using fourth-order Runge-Kutta numerical integration. The batch microcosm experimental results were simulated well with parameter values determined independently in culture kinetic studies, with some minor adjustments. Having adequately defined the parameter values from laboratory studies, the biotransformation model was combined with 1-D advective-dispersive transport to simulate the results of in-situ bioremediation tests conducted at the Moffett Field Test Facility in CA. The butane-utilizing culture was injected into a 7 m subsurface test site and exposed to alternating pulses of oxygen and butane, along with TCA (150 μg/L), 1,1-DCE (50 μg/L) and 1,1-DCA (150 μg/L). The model simulated well the transient transformation of the CAHs in response to different butane and oxygen pulse cycles and injection concentrations. Model simulations correlated well with field results and indicated that better remediation

  17. Trichloroethylene aerobic cometabolism by suspended and immobilized butane-growing microbial consortia: a kinetic study.

    Science.gov (United States)

    Frascari, Dario; Zanaroli, Giulio; Bucchi, Giacomo; Rosato, Antonella; Tavanaie, Nasrin; Fraraccio, Serena; Pinelli, Davide; Fava, Fabio

    2013-09-01

    A kinetic study of butane uptake and trichloroethylene (TCE) aerobic cometabolism was conducted by two suspended-cell (15 and 30°C) and two attached-cell (15 and 30°C) consortia obtained from the indigenous biomass of a TCE-contaminated aquifer. The shift from suspended to attached cells resulted in an increase of butane (15 and 30°C) and TCE (15°C) biodegradation rates, and a significant decrease of butane inhibition on TCE biodegradation. The TCE 15°C maximum specific biodegradation rate was equal to 0.011 mg(TCE ) mg(protein)(-1) d(-1) with suspended cells and 0.021 mg(TCE) mg(protein)(-1) d(-1) with attached cells. The type of mutual butane/TCE inhibition depended on temperature and biomass conditions. On the basis of a continuous-flow simulation, a packed-bed PFR inoculated with the 15 or 30°C attached-cell consortium could attain a 99.96% conversion of the studied site's average TCE concentration with a 0.4-0.5-day hydraulic residence time, with a low effect of temperature on the TCE degradation performances. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. The continuous flow synthesis of butane-2,3-diacetal protected building blocks using microreactors.

    Science.gov (United States)

    Carter, Catherine F; Baxendale, Ian R; Pavey, John B J; Ley, Steven V

    2010-04-07

    The continuous flow synthesis of butane-2,3-diacetal protected derivatives has been achieved using commercially available flow chemistry microreactors in concert with solid supported reagents and scavengers to provide in-line purification systems. The BDA protected products are all obtained in superior yield to the corresponding batch processes.

  19. Improving the stability of H-mordenite for n-butane isomerization

    NARCIS (Netherlands)

    Asuquo, R.A.; Asuquo, R.A.; Mirth, G.C.; Mirth, G.C.; Seshan, Kulathuiyer; Pieterse, J.A.Z.; Lercher, J.A.

    1997-01-01

    The conversion ofn-butane over mordenite-based catalysts in the presence of hydrogen and water was investigated for reaction temperatures between 523 and 623 K. Special attention was given to the influence of Pt upon catalytic activity, selectivity, and stability. With parent mordenite the catalytic

  20. Biooxidation of n-butane to 1-butanol by engineered P450 monooxygenase under increased pressure.

    Science.gov (United States)

    Nebel, Bernd A; Scheps, Daniel; Honda Malca, Sumire; Nestl, Bettina M; Breuer, Michael; Wagner, Hans-Günter; Breitscheidel, Boris; Kratz, Detlef; Hauer, Bernhard

    2014-12-10

    In addition to the traditional 1-butanol production by hydroformylation of gaseous propene and by fermentation of biomass, the cytochrome P450-catalyzed direct terminal oxidation of n-butane into the primary alcohol 1-butanol constitutes an alternative route to provide the high demand of this basic chemical. Moreover the use of n-butane offers an unexploited ubiquitous feed stock available in large quantities. Based on protein engineering of CYP153A from Polaromonas sp. JS666 and the improvement of the native redox system, a highly ω-regioselective (>96%) fusion protein variant (CYP153AP.sp.(G254A)-CPRBM3) for the conversion of n-butane into 1-butanol was developed. Maximum yield of 3.12g/L butanol, of which 2.99g/L comprise for 1-butanol, has been obtained after 20h reaction time. Due to the poor solubility of n-butane in an aqueous system, a high pressure reaction assembly was applied to increase the conversion. After optimization a maximum product content of 4.35g/L 1-butanol from a total amount of 4.53g/L butanol catalyzed by the self-sufficient fusion monooxygenase has been obtained at 15bar pressure. In comparison to the CYP153A wild type the 1-butanol concentration was enhanced fivefold using the engineered monooxygenase whole cell system by using the high-pressure reaction assembly. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. THE HEAT CAPACITY OF FLUORINATED PROPANE AND BUTANE DERIVATIVES BY DIFFERENTIAL SCANNING CALORIMETRY

    Science.gov (United States)

    The paper gives results of the measurement (to 3% accuracy) of the constant-pressure liquid-phase heat capacities of 21 hydrogen-containing fluorinated propane and butane derivatives and one fluorinated ether (CF3OCF2H) with boiling points ranging from -34.6 to 76.7 C, using diff...

  2. Propane and n-Butane Oxidation by Pseudomonas putida GPo1

    Science.gov (United States)

    Johnson, Erika L.; Hyman, Michael R.

    2006-01-01

    Propane and n-butane inhibit methyl tertiary butyl ether oxidation by n-alkane-grown Pseudomonas putida GPo1. Here we demonstrate that these gases are oxidized by this strain and support cell growth. Both gases induced alkane hydroxylase activity and appear to be oxidized by the same enzyme system used for the oxidation of n-octane. PMID:16391142

  3. Selective conversion of butane into liquid hydrocarbon fuels on alkane metathesis catalysts

    KAUST Repository

    Szeto, Kaï Chung

    2012-01-01

    We report a selective direct conversion of n-butane into higher molecular weight alkanes (C 5+) by alkane metathesis reaction catalysed by silica-alumina supported tungsten or tantalum hydrides at moderate temperature and pressure. The product is unprecedented, asymmetrically distributed towards heavier alkanes. This journal is © 2012 The Royal Society of Chemistry.

  4. Oxidative cracking of n-butane over BiOCl catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Kijima, N.; Yasuda, H.; Sato, To.; Yoshimura, Y. [National Institute of Materials and Chemical Research, Tsukuba (Japan); Matano, K.; Saito, M.; Oikawa, T.; Konishi, T. [Japan Chemical Industry Association, Tokyo (Japan)

    2000-01-01

    Oxidative cracking of n-butane to lower olefins over BiOCl catalyst has been investigated. BiOCl catalyst shows particularly high olefins selectivity and suppresses deep oxidation reactions extremely. 52 % yield of C{sub 2}-C{sub 4} olefins was achieved at 625 degree C. (author)

  5. Direct conversion of n-butane to isobutene over Pt-MCM22

    NARCIS (Netherlands)

    Pirngruber, G.D.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    MCM22 is a very active and selective catalyst for the skeletal isomerization of butene. At temperatures up to 775 K, Pt–MCM22 gives good results in the dehydroisomerization of n-butane, achieving higher yields of isobutene than does Pt–ZSM5. Most notably, the formation of cracking products is low.

  6. Marine microbes rapidly adapt to consume ethane, propane, and butane within the dissolved hydrocarbon plume of a natural seep

    Science.gov (United States)

    Mendes, Stephanie D.; Redmond, Molly C.; Voigritter, Karl; Perez, Christian; Scarlett, Rachel; Valentine, David L.

    2015-03-01

    Simple hydrocarbon gases containing two to four carbons (ethane, propane, and butane) are among the most abundant compounds present in petroleum reservoirs, and are introduced into the ocean through natural seepage and industrial discharge. Yet little is known about the bacterial consumption of these compounds in ocean waters. To assess the timing by which microbes metabolize these gases, we conducted a three-phase study that tested and applied a radiotracer-based method to quantify the oxidation rates of ethane, propane, and butane in fresh seawater samples. Phase 1 involved the synthesis of tritiated ethane, propane, and butane using Grignard reagents and tritiated water. Phase 2 was a systematic assessment of experimental conditions, wherein the indigenous microbial community was found to rapidly oxidize ethane, propane, and butane. Phase 3 was the application of this tritium method near the Coal Oil Point seeps, offshore California. Spatial and temporal patterns of ethane, propane, and butane oxidation down current from the hydrocarbon seeps demonstrated that >99% of these gases are metabolized within 1.3 days following initial exposure. The oxidation of ethane outpaced oxidation of propane and butane with patterns indicating the microbial community responded to these gases by rapid adaptation or growth. Methane oxidation responded the slowest in plume waters. Estimates based on the observed metabolic rates and carbon mass balance suggest that ethane, propane, and butane-consuming microorganisms may transiently account for a majority of the total microbial community in these impacted waters.

  7. Accuracy profile validation of a new analytical method for butane measurement using headspace-gas chromatography-mass spectrometry.

    Science.gov (United States)

    Varlet, V; Smith, F; Augsburger, M

    2013-01-15

    The aim of our study was to provide an innovative HS-GC/MS method applicable to the routine determination of butane concentration in forensic toxicology laboratories. The main drawback of the GC/MS methods discussed in literature concerning butane measurement was the absence of a specific butane internal standard necessary to perform quantification. Because no stable isotope of butane is commercially available, it is essential to develop a new approach by an in situ generation of standards. To avoid the manipulation of a stable isotope-labelled gas, we have chosen to generate in situ an internal labelled standard gas (C(4)H(9)D) following the basis of the stoichiometric formation of butane by the reaction of deuterated water (D(2)O) with Grignard reagent butylmagnesium chloride (C(4)H(9)MgCl). This method allows a precise measurement of butane concentration and therefore, a full validation by accuracy profile was presented. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Dynamics of Exchange at Gas-Zeolite Interfaces 1: Pure Component n-Butane and Isobutane

    Energy Technology Data Exchange (ETDEWEB)

    CHANDROSS,MICHAEL E.; WEBB III,EDMUND B.; GREST,GARY S.; MARTIN,MARCUS G.; THOMPSON,AIDAN P.; ROTH,M.W.

    2000-07-13

    The authors present the results of molecular dynamics simulations of n-butane and isobutane in silicalite. They begin with a comparison of the bulk adsorption and diffusion properties for two different parameterizations of the interaction potential between the hydrocarbon species, both of which have been shown to reproduce experimental gas-liquid coexistence curves. They examine diffusion as a function of the loading of the zeolite, as well as the temperature dependence of the diffusion constant at loading and for infinite dilution. They continue with simulations in which interfaces are formed between single component gases and the zeolite. After reaching equilibrium, they examine the dynamics of exchange between the bulk gas and the zeolite. Finally, they calculate the permeability of the zeolite for n-butane and isobutane as a function of pressure. Their simulations are performed for a number of different gas temperatures and pressures, covering a wide range of state points.

  9. High-pressure cloud point data for the system glycerol + olive oil + n-butane + AOT

    Directory of Open Access Journals (Sweden)

    J. P. Bender

    2008-09-01

    Full Text Available This work reports high-pressure cloud point data for the quaternary system glycerol + olive oil + n-butane + AOT surfactant. The static synthetic method, using a variable-volume view cell, was employed for obtaining the experimental data at pressures up to 27 MPa. The effects of glycerol/olive oil concentration and surfactant addition on the pressure transition values were evaluated in the temperature range from 303 K to 343 K. For the system investigated, vapor-liquid (VLE, liquid-liquid (LLE and vapor-liquid-liquid (VLLE equilibrium were recorded. It was experimentally observed that, at a given temperature and surfactant content, an increase in the concentration of glycerol/oil ratio led to a pronounced increase in the slope of the liquid-liquid coexistence curve. A comparison with results reported for the same system but using propane as solvent showed that much lower pressure transition values are obtained when using n-butane.

  10. First diastereoselective construction of butane-type and butyrolactone-type secocyclolignane structures.

    Science.gov (United States)

    Morita, Masao; Yamauchi, Satoshi

    2009-11-01

    The first diastereoselective construction of butane-type and butyrolactone-type secocyclolignanes was achieved by the application of a high-valency heterobimetallic Ir-Sn complex to benzyl alcohols prepared from an Evans's anti-aldol product. The elimination of an acetoxymethyl group to give a cinnamyl structure by using a high-valency heterobimetallic Ir-Sn complex was also observed in this study.

  11. The liquid phase oxidation of n-butane: a search for plausible mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, C.C. [Celanese Ltd., TX (United States). Corpus Christi Technical Center

    1998-12-31

    This articles deals with an approach that has given some key information about the mechanisms of the liquid phase oxidation of butane to acetic acid. This procedure has been developed over the last 34 years; however, much of what will be discussed represents a synthesis of previous insights. Many of the observations are relatively recent and have not been previously published. In principle, this approach should be applicable to many oxidation processes. (orig.)

  12. Electron transfer reaction of butane -1,3-diol and cr(vi) in aqueous ...

    African Journals Online (AJOL)

    Kinetic and mechanistic studies of electron transfer reaction of butane-1,3-diol and Cr(VI) ion in aqueous acidic medium have been carried out in aqueous medium at 271°C, I = 1.0 mol dm-3 (NaCl), [H +] = 0.5mol dm-3 (HCl). The reaction was inhibited by added anions and showed negative salt effect. Spectroscopic ...

  13. In Situ Raman Spectroscopy of Supported Chromium Oxide Catalysts: Reactivity Studies with Methanol and Butane

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Wachs, I.E.

    1996-01-01

    The interactions of methanol and butane with supported chromium oxide catalysts under oxidizing and reducing conditions were studied by in situ Raman spectroscopy as a function of the specific oxide support (Al2O3, ZrO2, TiO2, SiO2, Nb2O5, 3% SiO2/TiO2, 3% TiO2/SiO2, and a physical mixture of SiO2

  14. Fatal poisoning by butane sniffing: A forensic analysis and immunohistochemical detection of myocardial hypoxic damage.

    Science.gov (United States)

    Ventura, Francesco; Barranco, Rosario; Landolfa, Maria Celeste; Gallo, Massimo; Castiglione, Andrea Gianelli; Orcioni, Giulio Fraternali; De Stefano, Francesco

    2017-10-01

    Although less widespread than twenty years ago, inhalant abuse remains an on-going problem, whose incidence among U.S. teenagers and young adults ranges from 10 to 15%. Death due to the inhalation of vapor from halogenated hydrocarbons is a well-known phenomenon, yet few cases of fatal butane-gas poisoning have been described. Many cases of volatile substance abuse in prison populations have been reported: drug-addicted inmates often resort to this alternative practice when unable to get their habitual drugs of abuse. A similar pattern occurs especially among adolescents. The study herein described was conducted including all cases of fatal acute intoxication of butane gas examined from 2007 to 2015 at the Institute of Legal Medicine and Forensic Sciences of the University of Genoa. In the absence of overt and specific macroscopic and histological findings indicating cause and pathological mechanism of death, we aimed to assess whether recent cardiac lesions were detectable by way of immunohistochemical (IHC) analysis. Specifically, fibronectin and troponin C expression in myocardial tissues were investigated in deaths from acute butane-gas poisoning so as to better define the underlying pathological mechanisms. IHC findings were indicative of hypoxic cardiac damage. In all cases, positivity to fibronectin and mildly to moderately reduced troponin C expression in cardiac muscle cells were immunohistochemically ascertained. Copyright © 2017 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

  15. Experimental and modeling study of the oxidation of n- and iso-butanal

    KAUST Repository

    Veloo, Peter S.

    2013-09-01

    Understanding the kinetics of large molecular weight aldehydes is essential in the context of both conventional and alternative fuels. For example, they are key intermediates formed during the low-temperature oxidation of hydrocarbons as well as during the high-temperature oxidation of oxygenated fuels such as alcohols. In this study, an experimental and kinetic modeling investigation of n-butanal (. n-butyraldehyde) and iso-butanal (. iso-butyraldehyde or 2-methylpropanal) oxidation kinetics was performed. Experiments were performed in a jet stirred reactor and in counterflow flames over a wide range of equivalence ratios, temperatures, and pressures. The jet stirred reactor was utilized to observe the evolution of stable intermediates and products for the oxidation of n- and iso-butanal at elevated pressures and low to intermediate temperatures. The counterflow configuration was utilized for the determination of laminar flame speeds. A detailed chemical kinetic interpretative model was developed and validated consisting of 244 species and 1198 reactions derived from a previous study of the oxidation of propanal (propionaldehyde). Extensive reaction pathway and sensitivity analysis was performed to provide detailed insight into the mechanisms governing low-, intermediate-, and high-temperature reactivity. The simulation results using the present model are in good agreement with the experimental laminar flame speeds and well within a factor of two of the speciation data obtained in the jet stirred reactor. © 2013 The Combustion Institute.

  16. Liquidlike nature of crystalline n-butane and n-pentane films studied by time-of-flight secondary ion mass spectrometry.

    Science.gov (United States)

    Souda, Ryutaro

    2009-12-03

    Crystallization of vapor-deposited thin films of n-butane and n-pentane has been investigated using temperature-programmed time-of-flight secondary ion mass spectrometry. The morphology of thin n-butane (n-pentane) films changes at around the calorimetric crystallization temperature of 65 K (85 K) as a result of crystallization of the supercooled liquid. The morphology of the crystal grains of n-butane changes at 85 K; the butane molecules permeate through porous amorphous-solid-water films above this temperature. The crystal grains of n-pentane are smaller in size than those of n-butane, forming a smoother crystalline film. However, the crystalline n-pentane film dewets abruptly at higher temperatures, depending on the film thickness. The liquidlike nature of crystalline n-pentane (n-butane) is attributable to premelting (coexisting second liquid).

  17. Selectivity in the initial C-H bond cleavage of n-butane on PdO(101).

    Science.gov (United States)

    Hakanoglu, Can; Zhang, Feng; Antony, Abbin; Asthagiri, Aravind; Weaver, Jason F

    2013-08-07

    We used temperature programmed reaction spectroscopy (TPRS) and molecular beam reflectivity measurements to investigate the initial dissociation of n-butane isotopologues on PdO(101) and determine kinetic parameters governing the selectivity of initial C-H(D) bond cleavage. We observe differences in the reactivity of the n-butane isotopologues on PdO(101) due to kinetic isotope effects, and find that the initial dissociation probability decreases with increasing surface temperature for each isotopologue. We performed an analysis of the dissociation kinetics using a model that is based on a precursor-mediated mechanism for n-butane dissociation and enables quantification of kinetic parameters for selective C-H bond cleavage by considering differences in the reactivity among the n-butane isotopologues. From the analysis, we estimate that 49% of the n-butane molecules which react during TPRS do so through 1° C-H bond cleavage when the initial coverage of n-butane lies between ∼40% and 100% of the saturation coverage of the molecular precursor state. For dissociation in the limit of zero coverage, we estimate that the conditional probability for 1° C-H bond cleavage is equal to ∼87% and varies only weakly with surface temperature from 300 K to 400 K. Analysis of the temperature dependent rate data further predicts that the barrier for 1° C-H bond cleavage is 3.5 kJ mol(-1) lower than that for 2° C-H bond cleavage for n-butane dissociation on PdO(101) in the limit of zero coverage. Our results provide evidence that the selectivity for 1° C-H bond cleavage on PdO(101) increases as the n-butane coverage decreases below ∼40% of the saturation value. We speculate that intermolecular interactions among the n-butane species are responsible for the apparent coverage dependence of the C-H bond selectivity for n-butane dissociation on PdO(101).

  18. Total synthesis of natural product (R)-4-phenyl-2-O-[beta-D-xylopyranosyl(1-->6)-beta-D-glucopyranosyl]butane and its epimer.

    Science.gov (United States)

    Huang, L-J; Hou, S-J; Li, J-B; Yu, D-Q

    2007-01-01

    The new compound (R)-4-phenyl-2-O-[beta-d-xylopyranosyl(1 --> 6)-beta-D-glucopyranosyl]butane (1) and its epimer (2), together with (R)-4-phenyl-2-O-beta-D-glucopyranosyl butane (24) and (S)-4-phenyl-2-O-beta-D-glucopyranosyl butane (25) were firstly synthesized from 4-phenylbutan-2-one and glucose. The absolute configuration of C-2 for 1 was confirmed as R. Their anti-tumour activities were evaluated.

  19. Hydroisomerization of n-Butane over Platinum-Promoted Cesium Hydrogen Salt of 12-Tungstophosphoric Acid

    Directory of Open Access Journals (Sweden)

    Yanyong Liu

    2009-12-01

    Full Text Available The hydroisomerization of n-butane was carried out in a fixed-bed gas-flow reactor over Pt-promoted Cs2.5H0.5PW12O40 (denoted as Cs2.5. Two kinds of catalysts, a direct impregnation of Pt on Cs2.5 (denoted as Pt/Cs2.5, as well as a mechanical mixture of Pt/Al2O3 and Cs2.5 (denoted as Pt/Al2O3+Cs2.5, were used for the hydroisomerization. Pt/Al2O3+Cs2.5 showed a higher stationary activity than Pt/Cs2.5 because the Pt particles supported on Al2O3 were much smaller than those supported on Cs2.5. The initial activity decreased with increasing H2 pressure over Pt/Al2O3+Cs2.5. This indicates that the hydroisomerization of n-butane over Pt/Al2O3+Cs2.5 proceeded through a bifunctional mechanism, in which n-butane was hydrogenated/dehydrogenated on Pt sites and was isomerized on acid sites of Cs2.5. For the hydroisomerization of n-butane over Pt/Al2O3+Cs2.5 the hydrogenation/dehydrogenation on Pt sites is a limiting step at a low Pt loading and the isomerization on solid acid sites is a limiting step at a high Pt loading. During the reaction, hydrogen molecules were dissociated to active hydrogen atoms on Pt sites, and then the formed active hydrogen atoms moved to the solid acid sites of Cs2.5 (spillover effect to eliminate the carbonaceous deposits and suppress the catalyst deactivation. Because Cs2.5 has suitably strong and uniformly-distributed solid acid sites, Pt/Al2O3+Cs2.5 showed a higher stationary activity than Pt/Al2O3+H-ZSM-5 and Pt/Al2O3+SO4/ZrO2 for the hydroisomerization of n-butane at a low H2 pressure.

  20. Ring-strain-enabled reaction discovery: new heterocycles from bicyclo[1.1.0]butanes.

    Science.gov (United States)

    Walczak, Maciej A A; Krainz, Tanja; Wipf, Peter

    2015-04-21

    Mechanistically as well as synthetically, bicyclo[1.1.0]butanes represent one of the most fascinating classes of organic compounds. They offer a unique blend of compact size (four carbon atoms), high reactivity (strain energy of 66 kcal/mol), and mechanistic pathway diversity that can be harvested for the rapid assembly of complex scaffolds. The C(1)-C(3) bond combines the electronic features of both σ and π bonds with facile homolytic and heterolytic bond dissociation properties and thereby readily engages pericyclic, transition-metal-mediated, nucleophilic, and electrophilic pathways as well as radical acceptor and donor substrates. Despite this multifaceted reaction profile and recent advances in the preparation of bicylo[1.1.0]butanes, the current portfolio of synthetic applications is still limited compared with those of cyclopropanes and cyclobutanes. In this Account, we describe our work over the past decade on the exploration of substituent effects on the ring strain and the reactivity of bicyclo[1.1.0]butanes, particularly in the context of metal-mediated processes. We first describe Rh(I)-catalyzed cycloisomerization reactions of N-allyl amines to give pyrrolidine and azepine heterocycles. The regioselectivity of the C,C-bond insertion/ring-opening step in these reactions is controlled by the phosphine ligand. After metal carbene formation, an intramolecular cyclopropanation adds a second fused ring system. A proposed mechanism rationalizes why rhodium(I) complexes with monodentate ligands favor five-membered heterocycles, as opposed to Rh(I)-bidentate ligand catalysts, which rearrange N-allyl amines to seven-membered heterocycles. The scope of Rh(I)-catalyzed cycloisomerization reactions was extended to allyl ethers, which provide a mixture of five- and seven-membered cyclic ethers regardless of the nature of the phosphine additive and Rh(I) precatalyst. The chemical diversity of these cycloisomerization products was further expanded by a consecutive

  1. Is it worth carrying out determination of N-butane in postmortem samples? A case report and a comprehensive review of the literature.

    Science.gov (United States)

    El Balkhi, Souleiman; Coutaz-Fluck, Caroline; Moreau, Fanny; Paraf, François; Gaulier, Jean-Michel

    2016-09-01

    The aim of this article is to illustrate the importance of N-butane determination in postmortem samples through a case report and to propose actions and precautions to be taken into consideration when butane is suspected to be involved in cases of death. The case concerns a 15-year-old boy found dead after sniffing a cigarette lighter refill. Toxicological investigation revealed the presence of butane in the heart and femoral blood (1280 and 1170 μg/L, respectively), in the gastric contents (326 μg/L), and in the liver (1010 μg/kg) and lung tissues (210 μg/kg). Propane was present only in the blood samples at concentrations tenfolds lower.Butane can be involved in three kinds of fatalities: deliberate inhalations including volatile substance abuse (VSA), involuntary exposure, and homicides. A fatal outcome of butane inhalation can be caused by asphyxia and/or cardiac arrhythmia. In the context where butane exposure is evidenced by non-toxicological investigations, the usefulness of the determination of butane in postmortem samples is often questionable. However, it is admitted that butane-related deaths are generally underreported. Several difficulties including sample handling and storage, substantial variation in tissue concentrations, and lack of a lethal threshold make the interpretation of butane results challenging. In our opinion, systematic toxicological methods should be developed in order to analyze butane, at least when it concerns a typical VSA victim, even when butane is not actually suspected to be the cause of death.

  2. Chloroform aerobic cometabolism by butane-growing Rhodococcus aetherovorans BCP1 in continuous-flow biofilm reactors.

    Science.gov (United States)

    Ciavarelli, R; Cappelletti, M; Fedi, S; Pinelli, D; Frascari, D

    2012-06-01

    This work focuses on chloroform (CF) cometabolism by a butane-grown aerobic pure culture (Rhodococcus aetherovorans BCP1) in continuous-flow biofilm reactors. The goals were to obtain preliminary information on the feasibility of CF biodegradation by BCP1 in biofilm reactors and to evaluate the applicability of the pulsed injection of growth substrate and oxygen to biofilm reactors. The attached-cell tests were initially conducted in a 0.165-L bioreactor and, then, scaled-up to a 1.772-L bioreactor. Glass cylinders were utilized as biofilm carriers. The continuous supply of growth substrate (butane), which led to the attainment of the highest CF degradation rate (8.4 mg(CF) day(-1) m (biofilm surface)(-2)), was compared with four schedules of butane and oxygen pulsed feeding. The pulsed injection technique allowed the attainment of a ratio of CF mass degraded per unit mass of butane supplied equal to 0.16 mg(CF) mg (butane)(-1), a value 4.4 times higher than that obtained with the continuous substrate supply. A procedure based on the utilization of integral mass balances and of average concentrations along the bioreactors resulted in a satisfactory match between the predicted and the experimental CF degradation performances, and can therefore be utilized to provide a guideline for optimizing the substrate pulsed injection schedule.

  3. [Determination of butane in respiratory gases by means of GC/MS and GC/MS-MS].

    Science.gov (United States)

    Jungheim, Michael; Kijewski, Harald

    2005-01-01

    Butane is inhaled in order to achieve a pleasurable state of intoxication. An overdose can lead to death. In two deaths from our own investigation material the circumstances were suspicious for the inhalation of liquid gas, and the presence of butane should be demonstrated in the respiratory gases. For detection, a method of ion trap gas chromatography/mass spectrometry (GC/MS) and tandem-mass spectrometry (GC/MS-MS) was developed, whereby the gas samples from the lung tissue were directly injected into the GC. The GC/MS tests revealed the presence of butane. Moreover, it was found that during the MS-MS tests reaction products appeared which had formed in the ion trap. Systematic investigations of these reaction products showed that these appeared regularly and could be used as additional backup for the proof of butane. Thus phenomena in the ion trap were used which would not have been expected to occur in normal mass spectrometry or tandem-MS and had not been described in the forensic literature so far. The detected amount of butane could be quantified by means of serial dilutions with nitrogen and room air. The described method shows that small molecules or gases can be demonstrated with the ion trap mass spectrometer.

  4. Ozone Activated Cool Diffusion Flames of Butane Isomers in a Counterflow Facility

    KAUST Repository

    Al Omier, Abdullah Abdulaziz

    2017-04-01

    Proceeding from the aim to reduce global pollution emissions from the continuous burning of hydrocarbons stimulated by increasing energy demand, more efficient and ultra-low emissions’ combustion concepts such as the homogenous charge compression ignition engines (HCCI) have been developed. These new engines rely on the low temperature chemistry (LTC) combustion concept. A detailed investigation of the properties of cool flames, governed by LTC, is essential for the design of these new engines. The primary goal of this work was to build a fundamental counterflow experiment for cool flames studies in a diffusive system, to better understand combustion in LTC engines. The project was intended to provide a basic understanding of the low-temperature reactivity and cool flames properties of butane isomers under atmospheric pressure conditions. This was achieved by establishing self-sustaining cool flames through a novel technique of ozone addition to an oxygen stream in a non-premixed counterflow model. The ignition and extinction limits of butane isomers’ cool flames have been investigated under a variety of strain rates. Results revealed that establishment of cool flames are favored at lower strain rates. Iso-butane was less reactive than n-butane by showing higher ignition and extinction limits. Ozone addition showed a significant influence on cool flame ignition and sustenance; it was found that increasing ozone concentration in the oxidizer stream dramatically increased the reactivity of both fuels. Results showed increased fuel reactivity as the temperature of the fuel stream outlet increased. 4 A numerical analysis was performed to simulate ignition and extinction of the cool flame in diffusive systems. The results revealed that ignition and extinction limits of cool flames are predominantly governed by LTC. The model qualitatively captured experimental trends for both fuels; however, it overpredicted both ignition and extinction limits under all strain rates

  5. Viscosities of binary mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol

    OpenAIRE

    VASILE DUMITRESCU; OCTAV PÂNTEA

    2005-01-01

    The viscosities of binary liquid mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol have been determined at 298.15, 303.15, 308.15, 313.15 and 318.15 K over the whole concentration range. The Hind, Grunberg–Nissan, Wijk, Auslander and McAllister models were used to calculate the viscosity coefficients and these were compared with the experimental data for the mixtures. Excess viscosities were also calculated and fitted to the Redlich–Kister equation. Various thermodynamic properties ...

  6. Viscosities of binary mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol

    Directory of Open Access Journals (Sweden)

    VASILE DUMITRESCU

    2005-11-01

    Full Text Available The viscosities of binary liquid mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol have been determined at 298.15, 303.15, 308.15, 313.15 and 318.15 K over the whole concentration range. The Hind, Grunberg–Nissan, Wijk, Auslander and McAllister models were used to calculate the viscosity coefficients and these were compared with the experimental data for the mixtures. Excess viscosities were also calculated and fitted to the Redlich–Kister equation. Various thermodynamic properties of viscous flow activation were determined and their variations with composition are discussed.

  7. Molecular dynamics studies of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Newton, J. C.; Taub, H.

    1993-01-01

    The effect of molecular steric properties on the melting of quasi-two-dimensional solids is investigated by comparing results of molecular dynamics simulations of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite. These molecules differ only in their length......, being members of the n-alkane series [CH3(CH2)n−2CH3] where n=4 for butane and n=6 for hexane. The simulations employ a skeletal model, which does not include the hydrogen atoms explicitly, to represent the intermolecular and molecule–substrate interactions. Nearest-neighbor intramolecular bonds...... are fixed in length, but the molecular flexibility is preserved by allowing the bend and dihedral torsion angles to vary. The simulations show a qualitatively different melting behavior for the butane and hexane monolayers consistent with neutron and x-ray scattering experiments. The melting of the low...

  8. Kinetics of Methyl t-Butyl Ether Cometabolism at Low Concentrations by Pure Cultures of Butane-Degrading Bacteria

    Science.gov (United States)

    Liu, Catherine Y.; Speitel, Gerald E.; Georgiou, George

    2001-01-01

    Butane-oxidizing Arthrobacter (ATCC 27778) bacteria were shown to degrade low concentrations of methyl t-butyl ether (MTBE; range, 100 to 800 μg/liter) with an apparent half-saturation concentration (Ks) of 2.14 mg/liter and a maximum substrate utilization rate (kc) of 0.43 mg/mg of total suspended solids per day. Arthrobacter bacteria demonstrated MTBE degradation activity when grown on butane but not when grown on glucose, butanol, or tryptose phosphate broth. The presence of butane, tert-butyl alcohol, or acetylene had a negative impact on the MTBE degradation rate. Neither Methylosinus trichosporium OB3b nor Streptomyces griseus was able to cometabolize MTBE. PMID:11319100

  9. Low-temperature superacid catalysis: Reactions of n - butane and propane catalyzed by iron- and manganese-promoted sulfated zirconia

    Energy Technology Data Exchange (ETDEWEB)

    Tsz-Keung, Cheung; d`Itri, J.L.; Lange, F.C.; Gates, B.C. [Univ. of California, Davis, CA (United States)

    1995-12-31

    The primary goal of this project is to evaluate the potential value of solid superacid catalysts of the sulfated zirconia type for light hydrocarbon conversion. The key experiments catalytic testing of the performance of such catalysts in a flow reactor fed with streams containing, for example, n-butane or propane. Fe- and Mn-promoted sulfated zirconia was used to catalyze the conversion of n-butane at atmospheric pressure, 225-450{degrees}C, and n-butane partial pressures in the range of 0.0025-0.01 atm. At temperatures <225{degrees}C, these reactions were accompanied by cracking; at temperatures >350{degrees}C, cracking and isomerization occurred. Catalyst deactivation, resulting at least in part from coke formation, was rapid. The primary cracking products were methane, ethane, ethylene, and propylene. The observation of these products along with an ethane/ethylene molar ratio of nearly 1 at 450{degrees}C is consistent with cracking occurring, at least in part, by the Haag-Dessau mechanism, whereby the strongly acidic catalyst protonates n-butane to give carbonium ions. The rate of methane formation from n-butane cracking catalyzed by Fe- and Mn-promoted sulfated zirconia at 450{degrees}C was about 3 x 10{sup -8} mol/(g of catalyst {center_dot}s). The observation of butanes, pentanes, and methane as products is consistent with Olah superacid chemistry, whereby propane is first protonated by a very strong acid to form a carbonium ion. The carbonium ion then decomposes into methane and an ethyl cation which undergoes oligocondensation reactions with propane to form higher molecular weight alkanes. The results are consistent with the identification of iron- and manganese-promoted sulfated zirconia as a superacid.

  10. 6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate

    Directory of Open Access Journals (Sweden)

    Rajni M. Bhardwaj

    2012-12-01

    Full Text Available The title co-crystal, C4H7N5·C4H10O2, crystallizes with one molecule of 6-methyl-1,3,5-triazine-2,4-diamine (DMT and one molecule of butane-1,4-diol in the asymmetric unit. The DMT molecules form ribbons involving centrosymmetric R22(8 dimer motifs between DMT molecules along the c-axis direction. These ribbons are further hydrogen bonded to each other through butane-1,4-diol, forming sheets parallel to (121.

  11. A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidation.

    Science.gov (United States)

    Gomez-Gualdron, Diego A; Dix, Sean T; Getman, Rachel B; Snurr, Randall Q

    2015-11-07

    Metal nanoparticles (NP) encapsulated by metal-organic frameworks (MOFs) are novel composite materials that have shown promise as regioselective catalysts. The regioselectivity in these materials arises from steric constraints imposed by the porous MOF structure, which limit the way molecules approach and interact with the metal surface. Here we introduce a conceptually simple DFT approach to model reactions under such steric constraints. This approach is computationally efficient and accounts for the steric constraints imposed by a MOF pore in a general way. The adsorption of reactants, intermediates, and products associated with oxidation of n-butane to 1-butanol (and 2-butanol) on clean and oxygen-covered palladium surfaces is investigated with (and without) the constraints of a pore. Reaction energies are calculated, and we find that the thermodynamic favorability of the intermediate reactions is affected by the presence of steric constraints, oxygen coverage, and the exposed crystal surface of the metal. Based on these results, the Pd(111) surface with 0.25 ML oxygen coverage and steric constraints (which could be provided by a suitable MOF) seems promising to favor the desired sequence of reactions that would lead to the conversion of n-butane to 1-butanol.

  12. [Suicidal asphyxiation by propane-butane mixture inside a plastic bag: case report].

    Science.gov (United States)

    Zivković, Vladimir; Juković, Fehim; Nikolić, Slobodan

    2010-01-01

    Volatiles are easily accessible and widely used in a form of liquid petroleum gas. Death as a consequence of inhalation of volatiles can be either accidental or suicidal. We present a 62-year-old men who committed suicide by placing a plastic bag over the head and inhaling propane-butane mixture from a domestic gas tank. A rubber hose was attached to the tank valve and connected with the plastic bag. The body of the deceased showed signs of advanced postmortal changes. A suicidal note was found at the scene. Propane-butane mixture, i.e. liquified petroleum gas leads to the depletion of oxygen in the air consequently causing hypoxia and anoxia, and therefore, unconsciousness and eventual death. The mechanisms of death in cases of volatile inhalation include cardiac arrhythmias, reflex cardiac vagal inhibition, and/or central nervous system depression. Similar mechanisms occur in cases of asphyxiation with a plastic bag. The reconstruction of the event in this case was based, not so much on autopsy findings (because of significant putrefaction changes), but on the police investigation and traces found at the scene.

  13. [Myocardial infarction in a 16-year old following inhalation of butane gas].

    Science.gov (United States)

    De Naeyer, Ann H R R; de Kort, Sandra W K; Portegies, Mireille C M; Deraedt, Dirk J D L; Buysse, Corinne M P

    2011-01-01

    Butane gas is inhaled by young people with the aim of getting 'high'. This can cause coronary spasm with myocardial infarction and ventricular fibrillation as a result. We report on a 16-year-old male who collapsed at home after sniffing butane. His father, together with a paramedical emergency team that had found ventricular fibrillation, started basic and advanced life support. ECG showed exaggerated ST-elevations and an echocardiography showed a hypokinetic anterior ventricular wall and ventricular septum. After treatment with dobutamine, nitroglycerine, acetylsalicylic acid and dalteparine, the ECG and left ventricular function improved. He was admitted to a pediatric intensive care unit where he was artificially ventilated for 4 days and treated for cardiogenic shock. In the following days his cardiovascular condition improved. Magnetic resonance imaging showed no ischaemic damage of the brain. At 6 weeks his general condition was not as before, but ECG and cardiac function had almost recovered. Young people who experiment with inhalation of volatile substances generally do not know how dangerous this is. Provision of information about the possible consequences will have a preventive effect.

  14. Detailed product analysis during the low temperature oxidation of n-butane.

    Science.gov (United States)

    Herbinet, Olivier; Battin-Leclerc, Frédérique; Bax, Sarah; Le Gall, Hervé; Glaude, Pierre-Alexandre; Fournet, René; Zhou, Zhongyue; Deng, Liulin; Guo, Huijun; Xie, Mingfeng; Qi, Fei

    2011-01-07

    The products obtained from the low-temperature oxidation of n-butane in a jet-stirred reactor (JSR) have been analysed using two methods: gas chromatography analysis of the outlet gas and reflectron time-of-flight mass spectrometry. The mass spectrometer was combined with tunable synchrotron vacuum ultraviolet photoionization and coupled with a JSR via a molecular-beam sampling system. Experiments were performed under quasi-atmospheric pressure, for temperatures between 550 and 800 K, at a mean residence time of 6 s and with a stoichiometric n-butane/oxygen/argon mixture (composition = 4/26/70 in mol%). 36 reaction products have been quantified, including in addition to the usual oxidation products, acetic acid, hydrogen peroxide, C(1), C(2) and C(4) alkylhydroperoxides and C(4) ketohydroperoxides. Evidence of the possible formation of products (dihydrofuranes, furanones) derived from cyclic ethers has also been found. The performance of a detailed kinetic model of the literature has been assessed with the simulation of the formation of this extended range of species. These simulations have also allowed the analysis of possible pathways for the formation of some obtained products.

  15. Suicidal asphyxiation by propane-butane mixture inside a plastic bag: Case report

    Directory of Open Access Journals (Sweden)

    Živković Vladimir

    2010-01-01

    Full Text Available Introduction Volatiles are easily accessible and widely used in a form of liquid petroleum gas. Death as a consequence of inhalation of volatiles can be either accidental or suicidal. Case Outline We present a 62-year-old men who committed suicide by placing a plastic bag over the head and inhaling propane-butane mixture from a domestic gas tank. A rubber hose was attached to the tank valve and connected with the plastic bag. The body of the deceased showed signs of advanced postmortal changes. A suicidal note was found at the scene. Conclusion Propane-butane mixture, i.e. liquified petroleum gas leads to the depletion of oxygen in the air consequently causing hypoxia and anoxia, and therefore, unconsciousness and eventual death. The mechanisms of death in cases of volatile inhalation include cardiac arrhythmias, reflex cardiac vagal inhibition, and/or central nervous system depression. Similar mechanisms occur in cases of asphyxiation with a plastic bag. The reconstruction of the event in this case was based, not so much on autopsy findings (because of significant putrefaction changes, but on the police investigation and traces found at the scene. .

  16. Analysis of tank safety with propane-butane on LPG distribution station

    Directory of Open Access Journals (Sweden)

    Krzysiak Zbigniew

    2017-12-01

    Full Text Available An analysis of the risk of failure in the safety valve – tank with propane-butane (LPG system has been conducted. An uncontrolled outflow of liquid LPG, caused by a failure of the above mentioned system has been considered as a threat. The main research goal of the study is the hazardous analysis of propane-butane gas outflow for the safety valve – LPG tank system. The additional goal is the development of an useful method to fast identify the hazard of a mismatched safety valve. The results of the research analysis have confirmed that safety valves are basic protection of the installation (tank against failures that can lead to loss of life, material damage and further undesired costs of their unreliability. That is why a new, professional computer program has been created that allows for the selection of safety valves or for the verification of a safety valve selection in installations where any technical or technological changes have been made.

  17. A C2-symmetric nickel diamine complex as an asymmetric catalyst for enecarbamate additions to butane-2,3-dione.

    Science.gov (United States)

    Fossey, John S; Matsubara, Ryosuke; Vital, Paulo; Kobayashi, Shū

    2005-08-21

    Butane-2,3-dione was activated towards nucleophilic addition of enecarbamates by a series of metal triflate complexes of a C2-symmetric diamine to give stereogenic, aldol-like, t-alcohols, a novel nickel(II) triflate complex was identified as a good catalyst for this asymmetric transformation, and an aquo nickel(II) complex was identified by XRD techniques.

  18. Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

    DEFF Research Database (Denmark)

    Hervig, K.W.; Wu, Z.; Dai, P.

    1997-01-01

    Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed on an ex......Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... on an exfoliated graphite substrate, For butane, quasielastic scattering broader than the experimental energy resolution width of 70 mu eV appears abruptly at the monolayer melting point of T-m = 116 K, whereas, for the hexane monolayer, it appears 20 K below the melting transition (T-m = 170 K). To facilitate...... neutron diffraction experiments. Butane melts abruptly to a liquid phase where the molecules in the trans conformation translationally diffuse while rotating about their center of mass. In the case of the hexane monolayer, the MD simulations show that the appearance of quasielastic scattering below T...

  19. Adsorption of n-butane on graphene/Ru(0001)—A molecular beam scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Sivapragasam, Nilushni; Nayakasinghe, Mindika T.; Burghaus, Uwe, E-mail: uwe.burghaus@ndsu.edu [Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108 (United States)

    2016-07-15

    Adsorption kinetics/dynamics of n-butane on graphene, physical vapor deposited on Ru(0001) (hereafter G/Ru), and bare Ru(0001) (hereafter Ru) are discussed. The chemical activity of the supported-graphene as well as the support was probed by thermal desorption spectroscopy (adsorption kinetics). In addition and to the best of our knowledge, for the first time, molecular beam scattering data of larger molecules were collected for graphene (probing the adsorption dynamics). Furthermore, samples were inspected by x-ray photoelectron spectroscopy and Auger electron spectroscopy. At the measuring conditions used here, n-butane adsorption kinetics/dynamics are molecular and nonactivated. Binding energies of butane on Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “kinetically transparent.” Initial adsorption probabilities, S{sub 0}, of n-butane decrease with increasing impact energy (0.76–1.72 eV) and are adsorption temperature independent for both Ru and G/Ru, again consistent with molecular adsorption. Also, S{sub 0} of Ru and G/Ru are indistinguishable within experimental uncertainty. Thus, G/Ru is “dynamically transparent.” Coverage dependent adsorption probabilities indicate precursor effects for graphene/Ru.

  20. Anaerobic degradation of propane and butane by sulfate-reducing bacteria enriched from marine hydrocarbon cold seeps.

    Science.gov (United States)

    Jaekel, Ulrike; Musat, Niculina; Adam, Birgit; Kuypers, Marcel; Grundmann, Olav; Musat, Florin

    2013-05-01

    The short-chain, non-methane hydrocarbons propane and butane can contribute significantly to the carbon and sulfur cycles in marine environments affected by oil or natural gas seepage. In the present study, we enriched and identified novel propane and butane-degrading sulfate reducers from marine oil and gas cold seeps in the Gulf of Mexico and Hydrate Ridge. The enrichment cultures obtained were able to degrade simultaneously propane and butane, but not other gaseous alkanes. They were cold-adapted, showing highest sulfate-reduction rates between 16 and 20 °C. Analysis of 16S rRNA gene libraries, followed by whole-cell hybridizations with sequence-specific oligonucleotide probes showed that each enrichment culture was dominated by a unique phylotype affiliated with the Desulfosarcina-Desulfococcus cluster within the Deltaproteobacteria. These phylotypes formed a distinct phylogenetic cluster of propane and butane degraders, including sequences from environments associated with hydrocarbon seeps. Incubations with (13)C-labeled substrates, hybridizations with sequence-specific probes and nanoSIMS analyses showed that cells of the dominant phylotypes were the first to become enriched in (13)C, demonstrating that they were directly involved in hydrocarbon degradation. Furthermore, using the nanoSIMS data, carbon assimilation rates were calculated for the dominant cells in each enrichment culture.

  1. Oxidation and combustion of fuel-rich N-butane-oxygen mixture in a standard 20-liter explosion vessel

    NARCIS (Netherlands)

    Frolov, S.M.; Basevich, V.Y.; Smetanyuk, V.A.; Belyaev, A.A.; Pasman, H.J.

    2006-01-01

    Experiments on forced ignition of extremely fuel-rich n-butane-oxygen mixture with the equivalence ratio of 23 in the standard 20-liter spherical vessel at elevated initial pressure (4.1 bar) and temperature (500 K) reveal the nonmonotonic influence of the forced ignition delay time on the maximum

  2. Thermodynamic analysis of direct internal reforming of methane and butane in proton and oxygen conducting fuel cells

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Geerlings, J.J.C.

    2008-01-01

    We present results of a thermodynamic analysis of direct internal reforming fuel cells, based on either a proton conducting fuel cell (FC-H+) or an oxygen ion conducting fuel cell (FC-O2-). We analyze the option of methane as fuel as well as butane. The model self-consistently combines all chemical

  3. Kinetic characterization of the soluble butane monooxygenase from Thauera butanivorans, formerly 'Pseudomonas butanovora'.

    Science.gov (United States)

    Cooley, Richard B; Dubbels, Bradley L; Sayavedra-Soto, Luis A; Bottomley, Peter J; Arp, Daniel J

    2009-06-01

    Soluble butane monooxygenase (sBMO), a three-component di-iron monooxygenase complex expressed by the C(2)-C(9) alkane-utilizing bacterium Thauera butanivorans, was kinetically characterized by measuring substrate specificities for C(1)-C(5) alkanes and product inhibition profiles. sBMO has high sequence homology with soluble methane monooxygenase (sMMO) and shares a similar substrate range, including gaseous and liquid alkanes, aromatics, alkenes and halogenated xenobiotics. Results indicated that butane was the preferred substrate (defined by k(cat) : K(m) ratios). Relative rates of oxidation for C(1)-C(5) alkanes differed minimally, implying that substrate specificity is heavily influenced by differences in substrate K(m) values. The low micromolar K(m) for linear C(2)-C(5) alkanes and the millimolar K(m) for methane demonstrate that sBMO is two to three orders of magnitude more specific for physiologically relevant substrates of T. butanivorans. Methanol, the product of methane oxidation and also a substrate itself, was found to have similar K(m) and k(cat) values to those of methane. This inability to kinetically discriminate between the C(1) alkane and C(1) alcohol is observed as a steady-state concentration of methanol during the two-step oxidation of methane to formaldehyde by sBMO. Unlike methanol, alcohols with chain length C(2)-C(5) do not compete effectively with their respective alkane substrates. Results from product inhibition experiments suggest that the geometry of the active site is optimized for linear molecules four to five carbons in length and is influenced by the regulatory protein component B (butane monooxygenase regulatory component; BMOB). The data suggest that alkane oxidation by sBMO is highly specialized for the turnover of C(3)-C(5) alkanes and the release of their respective alcohol products. Additionally, sBMO is particularly efficient at preventing methane oxidation during growth on linear alkanes > or =C(2,) despite its high

  4. Poly[triaqua(μ-butane-1,2,3,4-tetracarboxylatodicadmium(II

    Directory of Open Access Journals (Sweden)

    Yong-Sheng Yan

    2009-12-01

    Full Text Available The asymmetric unit of the title CdII coordination polymer, [Cd2(C8H6O8(H2O3]n, contains two crystallographically independent CdII cations, one-half each of two independent anionic butane-1,2,3,4-tetracarboxylate units (L and three water molecules. Both anionic units lie on inversion centers. One of the CdII ions is six-coordinated by four carboxylate O atoms from four L anions and two water O atoms in a distorted octahedral coordination environment. The other CdII ion is eight-coordinated by seven carboxylate O atoms from four L anions and one water O atom. The anionic units bridge neighboring CdII centers, forming a three-dimensional framework. O—H...O hydrogen-bonding interactions between the water molecules and carboxylate O atoms further stabilize the structure.

  5. [Synthesis of a strain molecule, 1-azabicyclo [1.1.0] butane].

    Science.gov (United States)

    Hayashi, Kazuhiko

    2010-10-01

    1-Azabicyclo [1.1.0] butane (ABB) bearing the highly strained bicyclic structure, which is synthetically useful for the preparation of 3-substituted azetidines, was obtained by the cyclization of 2,3-dibromopropylamine hydrobromide derived from inexpensive allylamine only with organolithium compounds and lithium amides. When other bases were employed, such as potassium, sodium, and magnesium species, the reaction yielded almost no ABB. It was speculated that a lithium cation played an important role in the cyclization. Thus, we proposed that this reaction proceeded by the consecutive cyclization to aziridines via the SN2 process involving the activation of the C-Br bond based on the intermolecular Br…Li(+) coordination, as a result of studies of reaction mechanisms.

  6. Phase behavior of olive and soybean oils in compressed propane and n-butane

    Directory of Open Access Journals (Sweden)

    P. M. Ndiaye

    2006-09-01

    Full Text Available The aim of this work is to report the experimental data and thermodynamic modeling of phase equilibrium of binary systems containing soybean and olive oils with propane and n-butane. Phase equilibrium experiments were carried out using the static synthetic method in a high-pressure variable-volume view cell in the temperature range from 30 to 70ºC and varying the solvent overall composition from 5 to 98 wt%. Vapor-liquid, liquid-liquid and vapor-liquid-liquid phase transitions were observed at relatively low pressures. The Peng-Robinson and the SAFT equations of state without any binary interaction parameters were employed in an attempt at representing the phase behavior of the systems. Results show the satisfactory performance of SAFT-EoS in predicting qualitatively all phase transitions reported in this work.

  7. Numerical and Experimental Study on Negative Buoyance Induced Vortices in N-Butane Jet Flames

    KAUST Repository

    Xiong, Yuan

    2015-07-26

    Near nozzle flow field in flickering n-butane diffusion jet flames was investigated with a special focus on transient flow patterns of negative buoyance induced vortices. The flow structures were obtained through Mie scattering imaging with seed particles in a fuel stream using continuous-wave (CW) Argon-ion laser. Velocity fields were also quantified with particle mage velocimetry (PIV) system having kHz repetition rate. The results showed that the dynamic motion of negative buoyance induced vortices near the nozzle exit was coupled strongly with a flame flickering instability. Typically during the flame flickering, the negative buoyant vortices oscillated at the flickering frequency. The vortices were distorted by the flickering motion and exhibited complicated transient vortical patterns, such as tilting and stretching. Numerical simulations were also implemented based on an open source C++ package, LaminarSMOKE, for further validations.

  8. Propionate inactivation of butane monooxygenase activity in 'Pseudomonas butanovora': biochemical and physiological implications.

    Science.gov (United States)

    Doughty, D M; Halsey, K H; Vieville, C J; Sayavedra-Soto, L A; Arp, D J; Bottomley, P J

    2007-11-01

    Butane monooxygenase (BMO) catalyses the oxidation of alkanes to alcohols in the alkane-utilizing bacterium 'Pseudomonas butanovora'. Incubation of alkane-grown 'P. butanovora' with butyrate or propionate led to irreversible time- and O2-dependent loss of BMO activity. In contrast, BMO activity was unaffected by incubation with lactate or acetate. Chloramphenicol inhibited the synthesis of new BMO, but did not change the kinetics of propionate-dependent BMO inactivation, suggesting that the propionate effect was not simply due to it acting as a repressor of BMO transcription. BMO was protected from propionate-dependent inactivation by the presence of its natural substrate, butane. Although both the time and O2 dependency of propionate inactivation of BMO imply that propionate might be a suicide substrate, no evidence was obtained for BMO-dependent propionate consumption, or 14C labelling of BMO polypeptides by [2-(14)C]propionate during inactivation. Propionate-dependent BMO inactivation was also explored in mutant strains of 'P. butanovora' containing single amino acid substitutions in the alpha-subunit of the BMO hydroxylase. Propionate-dependent BMO inactivation in two mutant strains with amino acid substitutions close to the catalytic site differed from wild-type (one was more sensitive and the other less), providing further evidence that propionate-dependent inactivation involves interaction with the BMO catalytic site. A putative model is presented that might explain propionate-dependent inactivation of BMO when framed within the context of the catalytic cycle of the closely related enzyme, soluble methane monooxygenase.

  9. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylatocuprate(II trihydrate

    Directory of Open Access Journals (Sweden)

    Mohammad Ghadermazi

    2008-05-01

    Full Text Available In the title compound, (C4H14N2[Cu(C7H3NO42]·3H2O or (bdaH2[Cu(pydc2]·3H2O (where bda is butane-1,4-diamine and pydcH2 is pyridine-2,6-dicarboxylic acid, the CuII atom is coordinated by four O atoms [Cu—O = 2.0557 (16–2.3194 (16 Å] and two N atoms [Cu—N = 1.9185 (18 and 1.9638 (18 Å] from two chelating rings of the pydc2− anions, which act as tridentate ligands. The geometry of the resulting CuN2O4 coordination can be described as distorted octahedral. The the two pydc2− fragments are almost perpendicular to one another [77.51 (11°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH22+ cations are present. In the crystal structure, extensive O—H...O, N—H...O and C—H...O hydrogen bonds [D...A = 2.720 (2–3.446 (3 Å], ion pairing, C—O...π [O...π = 3.099 (2 Å] and π–π stacking interactions between the pydc2− rings [centroid–centroid distance = 3.5334 (15 Å] contribute to the formation of a three-dimensional supramolecular structure.

  10. Highly Selective and Considerable Subcritical Butane Extraction to Separate Abamectin in Green Tea.

    Science.gov (United States)

    Zhang, Yating; Gu, Lingbiao; Wang, Fei; Kong, Lingjun; Pang, Huili; Qin, Guangyong

    2017-06-01

    We specially carried out the subcritical butane extraction to separate abamectin from tea leaves. Four parameters, such as extraction temperature, extraction time, number of extraction cycles, and solid-liquid ratio were studied and optimized through the response surface methodology with design matrix developed by Box-Behnken. Seventeen experiments with three various factors and three variable levels were employed to investigate the effect of these parameters on the extraction of abamectin. Besides, catechins, theanine, caffeine, and aroma components were determined by both high-performance liquid chromatography and gas chromatography-mass spectrometry to evaluate the tea quality before and after the extraction. The results showed that the extraction temperature was the uppermost parameter compared with others. The optimal extraction conditions selected as follows: extraction temperature, 42°C; number of extraction cycles and extraction time, 1 and 30 min, respectively; and solid-liquid ratio, 1:10. Based on the above study, the separation efficiency of abamectin was up to 93.95%. It is notable that there has a quite low loss rate, including the negligible damage of aroma components, the bits reduce of catechins within the range of 0.7%-13.1%, and a handful lessen of caffeine and theanine of 1.81% and 2.6%, respectively. The proposed method suggested subcritical butane possesses solubility for lipid-soluble pesticides, and since most of the pesticides are attached to the surfaces of tea, thus the as-applied method was successfully effective to separate abamectin because of the so practical and promising method.

  11. Immunohistochemical detection of early myocardial damage in two sudden deaths due to intentional butane inhalation. Two case reports with review of literature.

    Science.gov (United States)

    Novosel, Irena; Kovačić, Zdravko; Gusić, Stjepan; Batelja, Lovorka; Nestić, Marina; Seiwerth, Sven; Skavić, Josip

    2011-04-01

    The abuse of household and other commercially available products containing volatile organic solvents is underrecognized. Not infrequently intentional butane inhalation results in high morbidity and mortality. A fatal outcome of butane abuse can be caused by asphyxia, cardiac arrhythmia or trauma. The reported number of cases in which death was the consequence of pure butane inhalation is limited, and in most cases a mixture of propellants was involved. This report covers two cases of sudden death due to the sniffing of a cigarette lighter refill containing butane. Autopsy was followed by toxicological, pathohistological and immunohistochemical analysis. Butane gas was confirmed in samples of blood, urine, brain and lungs by the gas chromatography method - "headspace" technique. Histology showed almost identical changes in the lungs and heart in both cases. The morphology of heart damage on standard H/E stains was of special interest because it displayed all the characteristics of chronic and acute myocardial hypoxia found in the absence of atherosclerotic heart disease. In order to confirm early cardiac death caused by asphyxia due to butane inhalation a panel of immunohistochemical agents was used: Myoglobin, Desmin, Fibronectin, Fibrinogen and CC9. Copyright © 2011 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

  12. Synthesis and evaluation of inhaled [{sup 11}C]butane and intravenously injected [{sup 11}C]acetone as potential radiotracers for studying inhalant abuse

    Energy Technology Data Exchange (ETDEWEB)

    Gerasimov, Madina R. [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Ferrieri, Richard A. [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Pareto, Deborah [Department of Nuclear Medicine and Functional Imaging, Functional Imaging, Berkeley National Laboratory, Berkeley, CA 94720 (United States); Logan, Jean [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (United States)]. E-mail: logan@bnl.gov; Alexoff, David [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Ding Yushin [Chemistry Department, Brookhaven National Laboratory, Upton, NY 11973 (United States)

    2005-02-01

    The phenomenon of inhalant abuse is a growing problem in the US and many countries around the world. Yet, relatively little is known about the pharmacokinetic properties of inhalants that underlie their abuse potential. While the synthesis of {sup 11}C-labeled toluene, acetone and butane has been proposed in the literature, none of these compounds has been developed as radiotracers for PET studies. In the present report we extend our previous studies with [{sup 11}C]toluene to include [{sup 11}C]acetone and [{sup 11}C]butane with the goal of comparing the pharmacokinetic profiles of these three volatile abused substances. Both [{sup 11}C]toluene and [{sup 11}C]acetone were administered intravenously and [{sup 11}C]butane was administered via inhalation to anesthesized baboons. Rapid and efficient uptake of radiolabeled toluene and acetone into the brain was followed by fast clearance in the case of toluene and slower kinetics in the case of acetone. [{sup 11}C]Butane was detected in the blood and brain following inhalation, but the levels of radioactivity in both tissues dropped to half of the maximal values over the period of less than a minute. To our knowledge, this is the first reported study of the in vivo brain pharmacokinetics of labeled acetone and butane in nonhuman primates. These data provide insight into the pharmacokinetic features possibly associated with the abuse liability of toluene, acetone and butane.

  13. Synthesis and evaluation of halogenated 12N-sulfonyl matrinic butanes as potential anti-coxsackievirus agents.

    Science.gov (United States)

    Cheng, Xin-Yue; Li, Yu-Huan; Tang, Sheng; Zhang, Xin; Wang, Yan-Xiang; Wang, Sheng-Gang; Jiang, Jian-Dong; Li, Ying-Hong; Song, Dan-Qing

    2017-01-27

    Twenty-eight new 12N-benzenesulfonyl matrinic butane and halogenated 12N-sulfonyl matrinic butane/ethane derivatives were designed, synthesized and evaluated for their anti-coxsakievirus activities against CVB3 taking compound 1 as the lead. SAR analysis indicated the introduction of a fluoro atom on the 1'-position might be helpful for keeping potency. Among them, compound 8a exhibited potential activities against all CVBs with IC50 ranging from 0.69 to 5.14 μM, suggesting a broad-spectrum anti-coxsackievirus B feature. In addition, it also displayed an excellent PK and a good safety profile, indicating a highly druggable nature. Thus, we consider compound 8a to be a promising drug candidate in the treatment of not only viral myocarditis caused by CVB3 but also various diseases infected with coxsackieviruses B. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  14. Low-pressure lipase-catalyzed production of mono- and diglycerides with and without N-butane and AOT surfactant.

    Science.gov (United States)

    Valério, Alexsandra; Fiametti, Karina G; Rovani, Suzimara; Treichel, Helen; de Oliveira, Débora; Oliveira, J Vladimir

    2010-03-01

    The aim of this work is to report the production of mono- and diglycerides from olive oil at ambient condition and in pressurized n-butane as solvent medium. For this purpose, a commercial immobilized lipase (Novozym 435) was employed as catalyst and sodium (bis-2-ethyl-hexyl) sulfosuccinate (Aerosol-OT or AOT) as surfactant. The experiments were conducted in batch mode varying the temperature, pressure, and AOT concentration. Results showed that lipase-catalyzed glycerolysis either with compressed n-butane or in solvent-free system with AOT as surfactant might be a potential alternative route to conventional methods, as high contents of reaction products, especially monoglycerides ( approximately 60 wt.%), were achieved at mild temperature and pressure with a relatively low solvent to substrates mass ratio (4:1) in short reaction times (2 h).

  15. Synthesis, in vitro antimicrobial, anticancer evaluation and QSAR studies of N′-(substituted-4-(butan-2-lideneaminobenzohydrazides

    Directory of Open Access Journals (Sweden)

    Mahak Saini

    2014-09-01

    Full Text Available A series of N′-(substituted-4-(butan-2-ylideneaminobenzohydrazides (1–21 was synthesized and characterized by physicochemical as well as spectral means. The synthesized compounds were screened for their in vitro antimicrobial and anticancer potentials. The synthesized compounds displayed higher antifungal potential as compared to antibacterial potential. Besides having good antifungal potential, the synthesized compounds were having appreciable anticancer potential and a number of compounds displayed higher anticancer potential than the standard drug, carboplatin. The results of QSAR studies demonstrated the importance of steric parameter, molar refractivity (MR, topological parameters, third order molecular connectivity index (3χ, Kier’s first order shape index (κ1 in describing the antimicrobial activity of N′-(substituted-4-(butan-2-ylideneaminobenzohydrazides.

  16. Fundamental Studies of Butane Oxidation over Model-Supported Vanadium Oxide Catalysts: Molecular Structure-Reactivity Relationships

    NARCIS (Netherlands)

    Wachs, I.E.; Jehng, J.M.; Deo, G.; Weckhuysen, B.M.; Guliants, V.V.; Benziger, J.B.; Sundaresan, S.

    1997-01-01

    The oxidation of n-butane to maleic anhydride was investigated over a series of model-supported vanadia catalysts where the vanadia phase was present as a two-dimensional metal oxide overlayer on the different oxide supports (TiO2, ZrO2, CeO2, Nb2O5, Al2O3, and SiO2). No correlation was found

  17. Biocatalytic hydroxylation of n-butane with in situ cofactor regeneration at low temperature and under normal pressure

    Directory of Open Access Journals (Sweden)

    Svenja Staudt

    2012-02-01

    Full Text Available The hydroxylation of n-alkanes, which proceeds in the presence of a P450-monooxygenase advantageously at temperatures significantly below room temperature, is described. In addition, an enzymatic hydroxylation of the “liquid gas” n-butane with in situ cofactor regeneration, which does not require high-pressure conditions, was developed. The resulting 2-butanol was obtained as the only regioisomer, at a product concentration of 0.16 g/L.

  18. Potential energy surface and unimolecular dynamics of stretched n-butane.

    Science.gov (United States)

    Lourderaj, Upakarasamy; McAfee, Jason L; Hase, William L

    2008-09-07

    The potential energy surface (PES) and unimolecular reaction dynamics of stretched n-butane are investigated, as a model for a stretched "normal" alkane or straight chain polymer. The nature of the PES for stretched n-butane depends on the extent of stretching. If it is less than that required to reach the inflection points in the C[Single Bond]C stretch potentials and the C[Single Bond]C torsions are considered free rotors, there is only one potential energy minimum, with each bond elongated. However, for stretching past these inflection points, the PES has three minima and each has one bond longer than the other two, i.e., C[Single Bond]C[Single Bond]C[Single Bond]C, C[Single Bond]C[Single Bond]C[Single Bond]C, and C[Single Bond]C[Single Bond]C[Single Bond]C. There are three transition states (TSs) connecting these minima. A linear alkane, consisting of n carbon atoms and stretched past its C[Single Bond]C inflection points, has (n-1) minima and (n-1)(n-2)2 TSs connecting them. For stretching less than that required to reach the C[Single Bond]C inflection points, the only unimolecular pathways are dissociations to form the C+C[Single Bond]C[Single Bond]C, C[Single Bond]C+C[Single Bond]C, and C[Single Bond]C[Single Bond]C+C products. However, with stretching past the C[Single Bond]C inflection points, isomerizations between the three potential energy minima may also occur. The relative importance of isomerization versus dissociation depends on the relative size of their barriers. For slight stretching past the C[Single Bond]C inflection points, the isomerization barriers are much lower than those for dissociation and relaxation between the minima is much faster than dissociation. Thus, the molecule samples these minima randomly during its dissociation, with a density of states that comprises the complete PES. With extensive stretching past the inflection points, isomerizations between the potential energy minima do not occur and only dissociation for the excited

  19. Extraction of Fenugreek (Trigonella foenum-graceum L.) Seed Oil Using Subcritical Butane: Characterization and Process Optimization.

    Science.gov (United States)

    Gu, Ling-Biao; Liu, Xiao-Ning; Liu, Hua-Min; Pang, Hui-Li; Qin, Guang-Yong

    2017-02-02

    In this study, the subcritical butane extraction process of fenugreek seed oil was optimized using response surface methodology with a Box-Behnken design. The optimum conditions for extracted oil from fenugreek seed was as follows: extraction temperature of 43.24 °C , extraction time of 32.80 min, and particle size of 0.26 mm. No significant differences were found between the experimental and predicted values. The physical and chemical properties of the oil showed that the oil could be used as edible oil. Fatty acid composition of oils obtained by subcritical butane under the optimum conditions and by accelerated solvent extraction showed negligible difference. The oils were rich in linoleic acid (42.71%-42.80%), linolenic acid (26.03%-26.15%), and oleic acid (14.24%-14.40%). The results revealed that the proposed method was feasible, and this essay shows the way to exploit fenugreek seeds by subcritical butane extraction under the scope of edible oils.

  20. In Vivo Evolution of Butane Oxidation by Terminal Alkane Hydroxylases AlkB and CYP153A6▿ †

    Science.gov (United States)

    Koch, Daniel J.; Chen, Mike M.; van Beilen, Jan B.; Arnold, Frances H.

    2009-01-01

    Enzymes of the AlkB and CYP153 families catalyze the first step in the catabolism of medium-chain-length alkanes, selective oxidation of the alkane to the 1-alkanol, and enable their host organisms to utilize alkanes as carbon sources. Small, gaseous alkanes, however, are converted to alkanols by evolutionarily unrelated methane monooxygenases. Propane and butane can be oxidized by CYP enzymes engineered in the laboratory, but these produce predominantly the 2-alkanols. Here we report the in vivo-directed evolution of two medium-chain-length terminal alkane hydroxylases, the integral membrane di-iron enzyme AlkB from Pseudomonas putida GPo1 and the class II-type soluble CYP153A6 from Mycobacterium sp. strain HXN-1500, to enhance their activity on small alkanes. We established a P. putida evolution system that enables selection for terminal alkane hydroxylase activity and used it to select propane- and butane-oxidizing enzymes based on enhanced growth complementation of an adapted P. putida GPo12(pGEc47ΔB) strain. The resulting enzymes exhibited higher rates of 1-butanol production from butane and maintained their preference for terminal hydroxylation. This in vivo evolution system could be useful for directed evolution of enzymes that function efficiently to hydroxylate small alkanes in engineered hosts. PMID:19011057

  1. Implications of sterically constrained n-butane oxidation reactions on the reaction mechanism and selectivity to 1-butanol

    Science.gov (United States)

    Dix, Sean T.; Gómez-Gualdrón, Diego A.; Getman, Rachel B.

    2016-11-01

    Density functional theory (DFT) is used to analyze the reaction network in n-butane oxidation to 1-butanol over a Ag/Pd alloy catalyst under steric constraints, and the implications on the ability to produce 1-butanol selectively using MOF-encapsulated catalysts are discussed. MOFs are porous crystalline solids comprised of metal nodes linked by organic molecules. Recently, they have been successfully grown around metal nanoparticle catalysts. The resulting porous networks have been shown to promote regioselective chemistry, i.e., hydrogenation of trans-1,3-hexadiene to 3-hexene, presumably by forcing the linear alkene to stand "upright" on the catalyst surface and allowing only the terminal C-H bonds to be activated. In this work, we extend this concept to alkane oxidation. Our goal is to determine if a MOF-encapsulated catalyst could be used to selectively produce 1-butanol. Reaction energies and activation barriers are presented for more than 40 reactions in the pathway for n-butane oxidation. We find that C-H bond activation proceeds through an oxygen-assisted pathway and that butanal and 1-butanol are some of the possible products.

  2. In vivo evolution of butane oxidation by terminal alkane hydroxylases AlkB and CYP153A6.

    Science.gov (United States)

    Koch, Daniel J; Chen, Mike M; van Beilen, Jan B; Arnold, Frances H

    2009-01-01

    Enzymes of the AlkB and CYP153 families catalyze the first step in the catabolism of medium-chain-length alkanes, selective oxidation of the alkane to the 1-alkanol, and enable their host organisms to utilize alkanes as carbon sources. Small, gaseous alkanes, however, are converted to alkanols by evolutionarily unrelated methane monooxygenases. Propane and butane can be oxidized by CYP enzymes engineered in the laboratory, but these produce predominantly the 2-alkanols. Here we report the in vivo-directed evolution of two medium-chain-length terminal alkane hydroxylases, the integral membrane di-iron enzyme AlkB from Pseudomonas putida GPo1 and the class II-type soluble CYP153A6 from Mycobacterium sp. strain HXN-1500, to enhance their activity on small alkanes. We established a P. putida evolution system that enables selection for terminal alkane hydroxylase activity and used it to select propane- and butane-oxidizing enzymes based on enhanced growth complementation of an adapted P. putida GPo12(pGEc47 Delta B) strain. The resulting enzymes exhibited higher rates of 1-butanol production from butane and maintained their preference for terminal hydroxylation. This in vivo evolution system could be useful for directed evolution of enzymes that function efficiently to hydroxylate small alkanes in engineered hosts.

  3. Subcritical Butane Extraction of Wheat Germ Oil and Its Deacidification by Molecular Distillation

    Directory of Open Access Journals (Sweden)

    Jinwei Li

    2016-12-01

    Full Text Available Extraction and deacidification are important stages for wheat germ oil (WGO production. Crude WGO was extracted using subcritical butane extraction (SBE and compared with traditional solvent extraction (SE and supercritical carbon dioxide extraction (SCE based on the yield, chemical index and fatty acid profile. Furthermore, the effects of the molecular distillation temperature on the quality of WGO were also investigated in this study. Results indicated that WGO extracted by SBE has a higher yield of 9.10% and better quality; at the same time, its fatty acid composition has no significant difference compared with that of SE and SCE. The molecular distillation experiment showed that the acid value, peroxide value and p-anisidine value of WGO were reduced with the increase of the evaporation temperatures, and the contents of the active constituents of tocopherol, polyphenols and phytosterols are simultaneously decreased. Generally, the distillation temperature of 150 °C is an appropriate condition for WGO deacidification with the higher deacidification efficiency of 77.78% and the higher retention rate of active constituents.

  4. Conversion of n-Butane to iso-Butene on Gallium/HZSM-5 Catalysts

    Directory of Open Access Journals (Sweden)

    S.M. Gheno

    2002-07-01

    Full Text Available The conversion of n-butane to iso-butene on gallium/HZSM-5 catalysts at 350ºC and WHSV=2.5h8-1 was studied. The catalysts were prepared by ion exchange from a Ga(NO32 solution and further submitted to calcination in air at 530ºC. TEM analysis with an EDAX detector and TPR-H2 data showed that after calcination the Ga species were present mainly as Ga2O3, which are reduced to Ga2O at temperatures near 610ºC. The specific acid activity (SAA of the catalysts increased with the increase in aluminum content in the zeolite, and for a fixed Si/Al ratio, the SAA increased with Ga content. Values for specific hydro/dehydrogenation activity (SH/DHA were significantly higher than those for SAA, indicating that the catalytic process is controlled by the kinetics on acid sites. Moreover, the production of iso-butene with a selectivity higher than 25% was a evidence that in gallium/HZSM-5-based catalysts the rate of the hydrogenation reaction is lower than that of the dehydrogenation reaction; this behavior confirmed the dehydrogenation nature of gallium species, thereby showing great promise for iso-butene production.

  5. Partial Oxidation of n-Butane over a Sol-Gel Prepared Vanadium Phosphorous Oxide

    Directory of Open Access Journals (Sweden)

    Juan M. Salazar

    2013-01-01

    Full Text Available Vanadium phosphorous oxide (VPO is traditionally manufactured from solid vanadium oxides by synthesizing VOHPO4∙0.5H2O (the precursor followed by in situ activation to produce (VO2P2O7 (the active phase. This paper discusses an alternative synthesis method based on sol-gel techniques. Vanadium (V triisopropoxide oxide was reacted with ortho-phosphoric acid in an aprotic solvent. The products were dried at high pressure in an autoclave with a controlled excess of solvent. This procedure produced a gel of VOPO4 with interlayer entrapped molecules. The surface area of the obtained materials was between 50 and 120 m2/g. Alcohol produced by the alkoxide hydrolysis reduced the vanadium during the drying step, thus VOPO4 was converted to the precursor. This procedure yielded non-agglomerated platelets, which were dehydrated and evaluated in a butane-air mixture. Catalysts were significantly more selective than the traditionally prepared materials with similar intrinsic activity. It is suggested that the small crystallite size obtained increased their selectivity towards maleic anhydride.

  6. Mechanism of n-butane hydrogenolysis promoted by Ta-hydrides supported on silica

    KAUST Repository

    Pasha, Farhan Ahmad

    2014-06-06

    The mechanism of hydrogenolysis of alkanes, promoted by Ta-hydrides supported on silica via 2 ≡ Si-O- bonds, has been studied with a density functional theory (DFT) approach. Our study suggests that the initial monohydride (≡ Si-O-)2Ta(III)H is rapidly trapped by molecular hydrogen to form the more stable tris-hydride (≡ Si-O-) 2Ta(V)H3. Loading of n-butane to the Ta-center occurs through C-H activation concerted with elimination of molecular hydrogen (σ-bond metathesis). Once the Ta-alkyl species is formed, the C-C activation step corresponds to a β-alkyl transfer to the metal with elimination of an olefin. According to these calculations, an α-alkyl transfer to the metal to form a Ta-carbene species is of higher energy. The olefins formed during the C-C activation step can be rapidly hydrogenated by both mono- and tris-Ta-hydride species, making the overall process of alkane cracking thermodynamically favored. © 2014 American Chemical Society.

  7. Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal

    Science.gov (United States)

    Seal, Prasenjit; Papajak, Ewa; Yu, Tao; Truhlar, Donald G.

    2012-01-01

    The purpose of the present investigation is to calculate partition functions and thermodynamic quantities, viz., entropy, enthalpy, heat capacity, and Gibbs free energies, for 1-butanol, 2-methyl-1-propanol, and butanal in the vapor phase. We employed the multi-structural (MS) anharmonicity method and electronic structure calculations including both explicitly correlated coupled cluster theory and density functional theory. The calculations are performed using all structures for each molecule and employing both the local harmonic approximation (MS-LH) and the inclusion of torsional anharmonicity (MS-T). The results obtained from the MS-T calculations are in excellent agreement with experimental data taken from the Thermodynamics Research Center data series and the CRC Handbook of Chemistry and Physics, where available. They are also compared with Benson's empirical group additivity values, where available; in most cases, the present results are more accurate than the group additivity values. In other cases, where experimental data (but not group additivity values) are available, we also obtain good agreement with experiment. This validates the accuracy of the electronic structure calculations when combined with the MS-T method for estimating the thermodynamic properties of systems with multiple torsions, and it increases our confidence in the predictions made with this method for molecules and temperatures where experimental or empirical data are not available.

  8. Subcritical Butane Extraction of Wheat Germ Oil and Its Deacidification by Molecular Distillation.

    Science.gov (United States)

    Li, Jinwei; Sun, Dewei; Qian, Lige; Liu, Yuanfa

    2016-12-07

    Extraction and deacidification are important stages for wheat germ oil (WGO) production. Crude WGO was extracted using subcritical butane extraction (SBE) and compared with traditional solvent extraction (SE) and supercritical carbon dioxide extraction (SCE) based on the yield, chemical index and fatty acid profile. Furthermore, the effects of the molecular distillation temperature on the quality of WGO were also investigated in this study. Results indicated that WGO extracted by SBE has a higher yield of 9.10% and better quality; at the same time, its fatty acid composition has no significant difference compared with that of SE and SCE. The molecular distillation experiment showed that the acid value, peroxide value and p-anisidine value of WGO were reduced with the increase of the evaporation temperatures, and the contents of the active constituents of tocopherol, polyphenols and phytosterols are simultaneously decreased. Generally, the distillation temperature of 150 °C is an appropriate condition for WGO deacidification with the higher deacidification efficiency of 77.78% and the higher retention rate of active constituents.

  9. Measurement of impinging butane flame using combined optical system with digital speckle tomography

    Science.gov (United States)

    Ko, Han Seo; Ahn, Seong Soo; Kim, Hyun Jung

    2011-11-01

    Three-dimensional density distributions of an impinging and eccentric flame were measured experimentally using a combined optical system with digital speckle tomography. In addition, a three-dimensional temperature distribution of the flame was reconstructed from an ideal gas equation based on the reconstructed density data. The flame was formed by the ignition of premixed butane/air from air holes and impinged upward against a plate located 24 mm distance from the burner nozzle. In order to verify the reconstruction process for the experimental measurements, numerically synthesized phantoms of impinging and eccentric flames were derived and reconstructed using a developed three-dimensional multiplicative algebraic reconstruction technique (MART). A new scanning technique was developed for the accurate analysis of speckle displacements necessary for investigating the wall jet regions of the impinging flame at which a sharp variation of the flow direction and pressure gradient occur. The reconstructed temperatures by the digital speckle tomography were applied to the boundary condition for numerical analysis of a flame impinged plate. Then, the numerically calculated temperature distribution of the upper side of the flame impinged plate was compared to temperature data taken by an infrared camera. The absolute average uncertainty between the numerical and infrared camera data was 3.7%.

  10. The stereospecific hydroxylation of [2,2-2H2]butane and chiral dideuteriobutanes by the particulate methane monooxygenase from Methylococcus capsulatus (Bath).

    Science.gov (United States)

    Yu, Steve S-F; Wu, Lo-Ying; Chen, Kelvin H-C; Luo, Wen-I; Huang, Ded-Shih; Chan, Sunney I

    2003-10-17

    Experiments on cryptically chiral ethanes have indicated that the particulate methane monooxygenase (pMMO) from Methylococcus capsulatus (Bath) catalyzes the hydroxylation of ethane with total retention of configuration at the carbon center attacked. This result would seem to rule out a radical mechanism for the hydroxylation chemistry, at least as mediated by this enzyme. The interpretation of subsequent experiments on n-propane, n-butane, and n-pentane has been complicated by hydroxylation at both the pro-R and pro-S secondary C-H bonds, where the hydroxylation takes place. It has been suggested that these results merely reflect presentation of both the pro-R and pro-S C-H bonds to the hot "oxygen atom" species generated at the active site, and that the oxo-transfer chemistry, in fact, proceeds concertedly with retention of configuration. In the present work, we have augmented these earlier studies with experiments on [2,2-2H2]butane and designed d,l form chiral dideuteriobutanes. Essentially equal amounts of (2R)-[3,3-2H2]butan-2-ol and (2R)-[2-2H1]butan-2-ol are produced upon hydroxylation of [2,2-2H2]butane. The chemistry is stereospecific with full retention of configuration at the secondary carbon oxidized. In the case of the various chiral deuterated butanes, the extent of configurational inversion has been shown to be negligible for all the chiral butanes examined. Thus, the hydroxylation of butane takes place with full retention of configuration in butane as well as in the case of ethane. These results are interpreted in terms of an oxo-transfer mechanism based on side-on singlet oxene insertion across the C-H bond similar to that previously noted for singlet carbene insertion (Kirmse, W., and Ozkir, I. S. (1992) J. Am. Chem. Soc. 114, 7590-7591). Finally, we discuss how even the oxene insertion mechanism, with "spin crossover" in the transition state, could lead to small amounts of radical rearrangement products, if and when such products are observed. A

  11. Associations between butane hash oil use and cannabis-related problems.

    Science.gov (United States)

    Meier, Madeline H

    2017-10-01

    High-potency cannabis concentrates are increasingly popular in the United States, and there is concern that use of high-potency cannabis might increase risk for cannabis-related problems. However, little is known about the potential negative consequences of concentrate use. This study reports on associations between past-year use of a high-potency cannabis concentrate, known as butane hash oil (BHO), and cannabis-related problems. A sample of 821 college students were recruited to complete a survey about their health and behavior. Participants who had used cannabis in the past year (33%, n=273) completed questions about their cannabis use, including their use of BHO and cannabis-related problems in eight domains: physical dependence, impaired control, academic-occupational problems, social-interpersonal problems, self-care problems, self-perception, risk behavior, and blackouts. Approximately 44% (n=121) of past-year cannabis users had used BHO in the past year. More frequent BHO use was associated with higher levels of physical dependence (RR=1.8, pacademic/occupational problems (RR=1.5, p=0.004), poor self-care (RR=1.3, p=0.002), and cannabis-related risk behavior (RR=1.2, p=0.001). After accounting for sociodemographic factors, age of onset of cannabis use, sensation seeking, overall frequency of cannabis use, and frequency of other substance use, BHO use was still associated with higher levels of physical dependence (RR=1.2, p=0.014). BHO use is associated with greater physiological dependence on cannabis, even after accounting for potential confounders. Longitudinal research is needed to determine if cannabis users with higher levels of physiological dependence seek out BHO and/or if BHO use increases risk for physiological dependence. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Butane-1,2,3,4-tetracarboxylic acid–1,10-phenanthroline–water (1/2/2

    Directory of Open Access Journals (Sweden)

    Hong-lin Zhu

    2011-07-01

    Full Text Available The asymmetric unit of the title compound, 2C12H8N2·C8H10O8·2H2O, contains one 1,10-phenanthroline molecule, one half-molecule of butane-1,2,3,4-tetracarboxylic acid (H4BTC and a water molecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Intermolecular O—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.672 (2 and 3.708 (2 Å form an extensive three-dimensional network, which consolidates the crystal packing.

  13. To the multicomponent adsorption of NO{sub 2}, SO{sub 2} and butane from air on activated carbon; Zur Mehrkomponentenadsorption von NO{sub 2}, SO{sub 2} und Butan aus Luft an Aktivkohle

    Energy Technology Data Exchange (ETDEWEB)

    Heschel, W.; Ahnert, F. [Technische Univ. Bergakademie Freiberg (Germany). Inst. fuer Energieverfahrenstechnik und Chemieingenieurwesen

    1998-12-31

    For selecting activated carbon used for car passenger space filters, the loading capacity at multicomponent adsorption of high-volatile hydrocarbons, NO{sub x} and SO{sub 2} in humidic air, is a crucial criterion. In this publication the adsorption capacity for single components n-butane, SO{sub 2} and NO{sub 2} and for mixtures of them are measured under ambient conditions. A spherical activated carbon was used as an adsorbent. In the presence of n-butane, the amount adsorbed of SO{sub 2} and NO{sub 2} is decreasing, respectively. NO{sub 2} is reduced by carbon to NO. By a redox-reaction, NO and SO{sub 3} are formed from a mixture of NO{sub 2} and SO{sub 2}. The humidity of air enhances the adsorbed amounts of SO{sub 2} and NO{sub 2} up to 50% saturation. Above this capillary condensation arises and pore blocking occurs. (orig.)

  14. Terephthalic acid–2,2′-dimethyl-1,1′-(butane-1,4-diyldibenzimidazole (2/3

    Directory of Open Access Journals (Sweden)

    Xian-Wu Dong

    2008-05-01

    Full Text Available In the crystal structure of the title compound, 2C8H6O4·3C20H22N4, there are three independent 2,2′-dimethyl-1,1′-(butane-1,4-diyldibenzimidazole molecules, each of which lies on an inversion centre. The terephthalic acid molecules are linked to adjacent 2,2′-dimethyl-1,1′-(butane-1,4-diyldibenzimidazole molecules via O—H...N hydrogen bonds.

  15. [Atypical case of teenager fatal poisoning by butane as a result of gas for lighters inhalation against his will].

    Science.gov (United States)

    Celiński, Rafał; Skowronek, Rafał; Uttecht-Pudełko, Anna

    2013-01-01

    Inhalatomania with volatile organic compounds is a still present phenomenon among Polish young adolescents. Conscious, voluntary exposition on such substances may result in serious health consequences, including sudden death in the course of acute intoxication. In this paper, atypical case of death of 16-year-old teenager as a result of complications of physically forced inhalation of gas for lighters is presented. According to testimonies of witnesses, the container was placed in the mouth of victim and the gas was introduced directly to his throat. Autopsy revealed small damage of tooth with corresponding bruising of lower lip; brain and lung oedma; single bruisings in the upper respiratory tract and subpleural. Chemical-toxicological analysis of blood, brain and lung samples taken during autopsy revealed in all of them the presence of n-butan--a component of gas for lighters (the greatest in brain and lung tissues). Additionally, in blood the presence of carboxyhemoglobin (COHb) in concentration 7% was confirmed. Based on the results of analyses, acute intoxication with n-butan was estimated as a cause of death; however the key role played the information obtained during the investigation. This case shows, that deaths resulting from gas for lighters inhalation may be a consequence of forced exposition--against victim's will. So medical staff should always check, if on the body of patient there are any signs of physical constraint (the presence of bruisings in the area of viscerocranium and oral cavity, teeth damages, etc.).

  16. Using ethane and butane as probes to the molecular structure of 1-alkyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl] imide ionic liquids.

    Science.gov (United States)

    Costa Gomes, Margarida F; Pison, Laure; Pensado, Alfonso S; Pádua, Agilio A H

    2012-01-01

    In this work, we have studied the solubility and the thermodynamic properties of solvation, between 298 and 343 K and at pressures close to atmospheric, of ethane and n-butane in several ionic liquids based on the bis[(trifluoromethyl) sulfonyl]imide anion and on 1-alkyl-3-methylimidazolium cations, [CnC1Im] [NTf2], with alkyl side-chains varying from two to ten carbon atoms. The solubility of butane is circa one order of magnitude larger than that of ethane with mole fractions as high as 0.15 in [C10C1Im][NTf2] at 300 K. The solubilities of both n-butane and ethane gases are higher for ionic liquids with longer alkyl chains. The behaviour encountered is explained by the preferential solvation of the gases in the non-polar domains of the solvents, the larger solubility of n-butane being attributed to the dispersive contributions to the interaction energy. The rise in solubility with increasing size of the alkyl-side chain is explained by a more favourable entropy of solvation in the ionic liquids with larger cations. These conclusions are corroborated by molecular dynamics simulation studies.

  17. Selective oxidation of n-butane to maleic anhydride under oxygen-deficient conditions over V-P-O mixed oxides

    NARCIS (Netherlands)

    Bosch, H.; Bruggink, A.A.; Ross, J.R.H.

    1987-01-01

    The selective oxidation of n-butane to maleic anhydride over V-P-O mixed oxides was studied under oxygen deficient conditions. The mixed oxides were prepared with P/V atomic ratios ranging from 0.7 to 1.0. Catalysts with P/V <1.0 did not show any selectivity to maleic anhydride formation, regardless

  18. Shape-dependent plasma-catalytic activity of ZnO nanomaterials coated on porous ceramic membrane for oxidation of butane.

    Science.gov (United States)

    Sanjeeva Gandhi, M; Mok, Young Sun

    2014-12-01

    In order to explore the effects of the shape of ZnO nanomaterials on the plasma-catalytic decomposition of butane and the distribution of byproducts, three types of ZnO nanomaterials (nanoparticles (NPs), nanorods (NRs) and nanowires (NWs)) were prepared and coated on multi-channel porous alumina ceramic membrane. The structures and morphologies of the nanomaterials were confirmed by X-ray diffraction method and scanning electron microscopy. The observed catalytic activity of ZnO in the oxidative decomposition of butane was strongly shape-dependent. It was found that the ZnO NWs exhibited higher catalytic activity than the other nanomaterials and could completely oxidize butane into carbon oxides (COx). When using the bare or ZnO NPs-coated ceramic membrane, several unwanted partial oxidation and decomposition products like acetaldehyde, acetylene, methane and propane were identified during the decomposition of butane. When the ZnO NWs- or ZnO NRs-coated membrane was used, however, the formation of such unwanted byproducts except methane was completely avoided, and full conversion into COx was achieved. Better carbon balance and COx selectivity were obtained with the ZnO NWs and NRs than with the NPs. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Filtrates and Residues: Measuring the Atomic or Molecular Mass of a Gas with a Tire Gauge and a Butane Lighter Fluid Can.

    Science.gov (United States)

    Bodner, George M.; Magginnis, Lenard J.

    1985-01-01

    Describes the use of an inexpensive apparatus (based on a butane lighter fluid can and a standard tire pressure gauge) in measuring the atomic/molecular mass of an unknown gas and in demonstrating the mass of air or the dependence of pressure on the mass of a gas. (JN)

  20. Mechanistic Study of the Stereoselective Hydroxylation of [2-2 H1 ,3-2 H1 ]Butanes Catalyzed by Cytochrome P450 BM3 Variants.

    Science.gov (United States)

    Yang, Chung-Ling; Lin, Cheng-Hung; Luo, Wen-I; Lee, Tsu-Lin; Ramu, Ravirala; Ng, Kok Yaoh; Tsai, Yi-Fang; Wei, Guor-Tzo; Yu, Steve S-F

    2017-02-21

    Engineered bacterial cytochrome P450s are noted for their ability in the oxidation of inert small alkanes. Cytochrome P450 BM3 L188P A328F (BM3 PF) and A74E L188P A328F (BM3 EPF) variants are able to efficiently oxidize n-butane to 2-butanol. Esterification of the 2-butanol derived from this reaction mediated by the aforementioned two mutants gives diastereomeric excesses (de) of -56±1 and -52±1 %, respectively, with the preference for the oxidation occurring at the C-HS bond. When tailored (2R,3R)- and (2S,3S)-[2-2 H1 ,3-2 H1 ]butane probes are employed as substrates for both variants, the obtained de values from (2R,3R)-[2-2 H1 ,3-2 H1 ]butane are -93 and -92 % for BM3 PF and EPF, respectively; whereas the obtained de values from (2S,3S)-[2-2 H1 ,3-2 H1 ]butane are 52 and 56 % in the BM3 PF and EPF systems, respectively. The kinetic isotope effects (KIEs) for the oxidation of (2R,3R)-[2-2 H1 ,3-2 H1 ]butane are 7.3 and 7.8 in BM3 PF and EPF, respectively; whereas KIEs for (2S,3S)-[2-2 H1 ,3-2 H1 ]butanes are 18 and 25 in BM3 PF and EPF, respectively. The discrepancy in KIEs obtained from the two substrates supports the two-state reactivity (TSR) that is proposed for alkane oxidation in cytochrome P450 systems. Moreover, for the first time, experimental evidence for tunneling in the oxidation mediated by P450 is given through the oxidation of the C-HR bond in (2S,3S)-[2-2 H1 ,3-2 H1 ]butane. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. A novel predictive model for formation enthalpies of Si and Ge hydrides with propane- and butane-like structures.

    Science.gov (United States)

    Weng, C; Kouvetakis, J; Chizmeshya, A V G

    2011-04-15

    Butane- and propane-like silicon-germanium hydrides and chlorinated derivatives represent a new class of precursors for the fabrication of novel metastable materials at low-temperature regimes compatible with selective growth and commensurate with the emerging demand for the reduced thermal budgets of complementary metal oxide semiconductor integration. However, predictive simulation studies of the growth process and reaction mechanisms of these new compounds, needed to accelerate their deployment and fine-tune the unprecedented low-temperature and low-pressure synthesis protocols, require experimental thermodynamic data, which are currently unavailable. Furthermore, traditional quantum chemistry approaches lack the accuracy needed to treat large molecules containing third-row elements such as Ge. Accordingly, here we develop a method to accurately predict the formation enthalpy of these compounds using atom-wise corrections for Si, Ge, Cl, and H. For a test set of 15 well-known hydrides of Si and Ge and their chlorides, such as Si(3)H(8), Ge(2)H(6), SiGeH(6), SiHCl(3), and GeCl(4), our approach reduces the deviations between the experimental and predicted formation enthalpies obtained from complete basis set (CBS-QB3), G2, and B3LPY thermochemistry to levels of 1-3 kcal/mol, or a factor of ∼5 over the corresponding uncorrected values. We show that our approach yields results comparable or better than those obtained using homodesmic reactions while circumventing the need for thermochemical data of the associated reaction species. Optimized atom-wise corrections are then used to generate accurate enthalpies of formation for 39 pure Si-Ge hydrides and a selected group of 20 chlorinated analogs, of which some have recently been synthesized for the first time. Our corrected enthalpies perfectly reproduce the experimental stability trends of heavy butane-like compounds containing Ge. This is in contrast to the direct application of the CBS-QB3 method, which yields

  2. From a Si3-Cyclopropene to a Si3S-Bicyclo[1.1.0]butane to a Si3S-Cyclopropene to a Si3S2-Bicyclo[1.1.0]butane: Back-and-Forth, and In-Between.

    Science.gov (United States)

    Lee, Vladimir Ya; Gapurenko, Olga A; Miyazaki, Shogo; Sekiguchi, Akira; Minyaev, Ruslan M; Minkin, Vladimir I; Gornitzka, Heinz

    2015-11-16

    Compact and highly reactive bicyclo[1.1.0]butanes constitute one of the most fascinating classes of organic compounds. Furthermore, interplay of bicyclo[1.1.0]butanes with their valence isomers, such as buta-1,3-dienes and cyclobutenes, is among the fundamental pericyclic transformations in organic chemistry. Herein we report the back-and-forth interconversion between the cyclotrisilenes and thiatrisilabicyclo[1.1.0]butanes, allowing for the synthesis of novel representatives of such classes of highly reactive organometallics. The peculiar structural and bonding features of the newly synthesized compounds, as well as the mechanism of their isomerization, were verified both experimentally and computationally. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. 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.

    Science.gov (United States)

    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.

  4. IMPROVEMENT OF THE MODELLING OF THE LOW-TEMPERATURE OXIDATON OF N-BUTANE - STUDY OF THE PRIMARY REACTIONS

    Science.gov (United States)

    CORD, Maximilien; SIRJEAN, Baptiste; FOURNET, René; TOMLIN, Alison; RUIZ-LOPEZ, Manuel; BATTIN-LECLERC, Frédérique

    2013-01-01

    This paper revisits the primary reactions involved in the oxidation of n-butane from low to intermediate temperatures (550-800 K) including the negative temperature coefficient (NTC) zone. A model which was automatically generated is used as a starting point and a large number of thermochemical and kinetic data are then re-estimated. The kinetic data of the isomerization of alkylperoxy radicals giving ·QOOH radicals and the subsequent decomposition to give cyclic ethers has been calculated at the CBS-QB3 level of theory. The newly obtained model allows a satisfactory prediction of experimental data recently obtained in a jet-stirred reactor and in rapid compression machines. A considerable improvement of the prediction of the selectivity of cyclic ethers is especially obtained compared to previous models. Linear and global sensitivity analyses have been performed in order to better understand which reactions are of influence in the NTC zone. PMID:22257166

  5. Use of butane-isobutane refrigerant spray in the management of a mucocoele in a visually impaired child.

    Science.gov (United States)

    Birapu, Uday Chowdary; Puppala, Ravindar; Kethineni, Balaji; Banavath, Sunitha

    2016-01-28

    Mucocoeles are commonly observed lesions in children and young adults. Conventional management using a scalpel aims at enucleation, requiring psychological preparation of the parent as well as the child because of inherent fear and apprehension towards surgery. This is still more complex in children with visual impairment. The other management techniques are laser, cryotherapy and micromarsupialisation, management strategies that, being painless and tolerable, reduce the anxiety of the child and are therefore more acceptable. The basic technique of cryotherapy stresses on rapid cooling, gradual thawing and repeated freezing to ensure tissue destruction. We report a case of a 13-year-old boy with visual impairment, presenting with a mucocoele on the lower lip, which was managed using butane-isobutane refrigerant spray, which is otherwise routinely employed for pulp vitality testing. A single, 2 min freeze/thaw cycle was used. The healing was uneventful. 2016 BMJ Publishing Group Ltd.

  6. Improvement of the modeling of the low-temperature oxidation of n-butane: study of the primary reactions.

    Science.gov (United States)

    Cord, Maximilien; Sirjean, Baptiste; Fournet, René; Tomlin, Alison; Ruiz-Lopez, Manuel; Battin-Leclerc, Frédérique

    2012-06-21

    This paper revisits the primary reactions involved in the oxidation of n-butane from low to intermediate temperatures (550-800 K) including the negative temperature coefficient (NTC) zone. A model that was automatically generated is used as a starting point and a large number of thermochemical and kinetic data are then re-estimated. The kinetic data of the isomerization of alkylperoxy radicals giving (•)QOOH radicals and the subsequent decomposition to give cyclic ethers has been calculated at the CBS-QB3 level of theory. The newly obtained model allows a satisfactory prediction of experimental data recently obtained in a jet-stirred reactor and in rapid compression machines. A considerable improvement of the prediction of the selectivity of cyclic ethers is especially obtained compared to previous models. Linear and global sensitivity analyses have been performed to better understand which reactions are of influence in the NTC zone.

  7. 2,3-Bis{[2,3-dimethyl-6-(phenyl-vin-yl)phen-yl]imino}-butane.

    Science.gov (United States)

    Zhao, Jie; Yuan, Jianchao; Xu, Weibing; Chen, Jingjing; Mu, Yanqiong

    2014-02-01

    In the title compound, C36H36N2, a product of the condensation reaction of 2,3-dimethyl-6-phenyl-vinyl-benzenamine and 2,3-butane-dione, the complete mol-ecule is generated by the application of an inversion centre. The central C-C bond in the 1,4-di-aza-butadiene fragment is trans-configured and situated about the inversion center. The dihedral angle between the ring attached to N and the 1,4-di-aza-butadiene plane is 78.24 (36)°, while the 1,4-di-aza-butadiene plane makes an angle of 30.71 (26)° with the phenyl ring.

  8. The metabolism of 4-(4-hydroxyphenyl)butan-2-one (raspberry ketone) in rats, guinea-pigs and rabbits.

    Science.gov (United States)

    Sporstøl, S; Scheline, R R

    1982-04-01

    1. The metabolism of 4-(4-hydroxyphenyl)butan-2-one(raspberry ketone) was studied in rats, guinea-pigs and rabbits. 2. Following intragastric dosage (1 mmol/kg) urinary metabolite excretion was nearly complete within 24 h, amounting to roughly 90% of the dose in all species. 3. The most prominent urinary metabolites were raspberry ketone and its corresponding carbinol, both largely conjugated with glucuronic acid and/or sulphate. The extent of ketone reduction was greatest in rabbits. 4. Oxidative metabolism included ring hydroxylation and side-chain oxidation. The latter pathway led to 1,2- and 2,3-diol derivatives. It is proposed that the latter undergo cleavage to furnish the C6-C3 and C6-C2 derivatives detected.

  9. Synthesis, Characterization and Thermal Decomposition Studies of Cr(III), Mn(II) and Fe(III) Complexes of N, N '-Bis[1,3-benzodioxol-5-ylmethylene]butane-1,4-diamine

    National Research Council Canada - National Science Library

    Prasad M. Alex; K. K. Aravindakshan

    2009-01-01

    ... (3,4-dioxymethylenebenzaldehyde) with butane-1,4-diamine. Cr(III), Mn(II), Fe(III) complexes of this chelating ligand were synthesised using acetates, chlorides, bromides, nitrates and perchlorates of these metals...

  10. (R,R)-Butane-2,3-diol dehydrogenase from Bacillus clausii DSM 8716T: Cloning and expression of the bdhA-gene, and initial characterization of enzyme.

    Science.gov (United States)

    Muschallik, Lukas; Molinnus, Denise; Bongaerts, Johannes; Pohl, Martina; Wagner, Torsten; Schöning, Michael J; Siegert, Petra; Selmer, Thorsten

    2017-09-20

    The gene encoding a putative (R,R)-butane-2,3-diol dehydrogenase (bdhA) from Bacillus clausii DSM 8716T was isolated, sequenced and expressed in Escherichia coli. The amino acid sequence of the encoded protein is only distantly related to previously studied enzymes (identity 33-43%) and exhibited some uncharted peculiarities. An N-terminally StrepII-tagged enzyme variant was purified and initially characterized. The isolated enzyme catalyzed the (R)-specific oxidation of (R,R)- and meso-butane-2,3-diol to (R)- and (S)-acetoin with specific activities of 12U/mg and 23U/mg, respectively. Likewise, racemic acetoin was reduced with a specific activity of up to 115U/mg yielding a mixture of (R,R)- and meso-butane-2,3-diol, while the enzyme reduced butane-2,3-dione (Vmax 74U/mg) solely to (R,R)-butane-2,3-diol via (R)-acetoin. For these reactions only activity with the co-substrates NADH/NAD+ was observed. The enzyme accepted a selection of vicinal diketones, α-hydroxy ketones and vicinal diols as alternative substrates. Although the physiological function of the enzyme in B. clausii remains elusive, the data presented herein clearly demonstrates that the encoded enzyme is a genuine (R,R)-butane-2,3-diol dehydrogenase with potential for applications in biocatalysis and sensor development. Copyright © 2017. Published by Elsevier B.V.

  11. The critical role of phosphate in vanadium phosphate oxide for the catalytic activation and functionalization of n-butane to maleic anhydride.

    Science.gov (United States)

    Cheng, Mu-Jeng; Goddard, William A

    2013-03-27

    We used density functional theory to study the mechanism of n-butane oxidation to maleic anhydride on the vanadium phosphorus oxide (VPO) surface. We found that O(1)═P on the V(V)OPO4 surface is the active center for initiating the VPO chemistry through extraction of H from alkane C-H bonds. This contrasts sharply with previous suggestions that the active center is either the V-O bonds or else a chemisorbed O2 on the (V(IV)O)2P2O7 surface. The ability of O(1)═P to cleave alkane C-H bonds is due to its strong basicity coupled with large reduction potentials of nearby V(V) ions. We examined several pathways for the subsequent functionalization of n-butane to maleic anhydride and found that the overall barrier does not exceed 21.7 kcal/mol.

  12. A coordination polymer of CdII with benzene-1,3-dicarboxylate and 1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane

    Directory of Open Access Journals (Sweden)

    Wei-Ping Zhang

    2009-11-01

    Full Text Available The title CdII coordination polymer, catena-poly[[{1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane}cadmium(II]-μ-benzene-1,3-dicarboxylato], [Cd(C8H4O4(C30H28N6]n, was obtained by reaction of CdCO3, benzene-1,3-dicarboxylic acid (H2btc and 1,4-bis[1-(2-pyridylmethylbenzimidazol-2-yl]butane (L. The CdII cation is six-coordinated by an N2O4-donor set. L acts as a bidentate ligand and btc anions link CdII centers into a chain propagating parallel to [010].

  13. Comparison of two-body and three-body decomposition of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene.

    Science.gov (United States)

    Chin, Chih-Hao; Lee, Shih-Huang

    2012-01-14

    We investigated two-body (binary) and three-body (triple) dissociations of ethanedial, propanal, propenal, n-butane, 1-butene, and 1,3-butadiene on the ground potential-energy surfaces using quantum-chemical and Rice-Ramsperger-Kassel-Marcus calculations; most attention is paid on the triple dissociation mechanisms. The triple dissociation includes elimination of a hydrogen molecule from a combination of two separate terminal hydrogen atoms; meanwhile, the rest part simultaneously decomposes to two stable fragments, e.g., C(2)H(4), C(2)H(2), or CO. Transition structures corresponding to the concerted triple dissociation were identified using the B3LYP/6-311G(d,p) level of theory and total energies were computed using the method CCSD(T)/6-311+G(3df, 2p). The forward barrier height of triple dissociation has a trend of ethanedial butane butane, 1-butene, and 1,3-butadiene were investigated for the first time. To outline a whole picture of dissociation mechanisms, some significant two-body dissociation channels were investigated for the calculations of product branching ratios. The triple dissociation plays an important role in the three carbonyl compounds, but plays a minor or negligible role in the three hydrocarbons.

  14. Synthesis, characterization and structure effects on extractability and selectivity of N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane towards some divalent cations.

    Science.gov (United States)

    Ziyadanoğullari, Berrin; Ceviziçi, Deniz; Temel, Hamdi; Guzel, Remziye

    2007-01-01

    The extraction of copper(II), nickel(II) and cobalt(II) from the aqueous phase with N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane (MAS), which was synthesized from 1,4-bis(m-aminophenoxy)butane and salicylaldehyde, was studied. Microanalytical data, elemental analysis, UV-visible 1H and 13C n.m.r. spectra and IR-spectra were used to confirm the structures. The extractability and selectivity of divalent cations were evaluated as a function of relationship between distribution ratio of the metal and pH or ligand concentration. Cu+2 showed the highest extractability and selectivity at pH 6.0, whereas Ni+2 and Co+2 showed at pH 9.2. The stoichiometries of the compounds formed were estimated to be CuL, CoL, NiL, where L is N,N'-bis(salicylaldehydene)-1,4-bis-(m-aminophenoxy)butane. It was concluded that MAS can effectively be used in solvent extraction of copper(II), nickel(II) and cobalt(II) from the aqeous phase to the organic phase.

  15. Carbon and hydrogen stable isotope fractionation associated with the anaerobic degradation of propane and butane by marine sulfate-reducing bacteria.

    Science.gov (United States)

    Jaekel, Ulrike; Vogt, Carsten; Fischer, Anko; Richnow, Hans-Hermann; Musat, Florin

    2014-01-01

    The anaerobic degradation of propane and butane is typically initiated by activation via addition to fumarate. Here we investigated the mechanism of activation under sulfate-reducing conditions by one pure culture (strain BuS5) and three enrichment cultures employing stable isotope analysis. Stable isotope fractionation was compared for cultures incubated with or without substrate diffusion limitation. Bulk enrichment factors were significantly higher in mixed vs. static incubations. Two dimensional factors, given by the correlation of stable isotope fractionation of both carbon and hydrogen at their reactive positions (Lambda reactive position, Λrp), were compared to analyse the activation mechanisms. A characteristic reactive position isotope fractionation pattern was observed, distinct from aerobic degradation. Λrp values ranged from 10.5 to 11.8 for propane and from 7.8 to 9.4 for butane. Incubations of strain BuS5 with deuterium-labelled n-alkanes indicated that butane was activated solely at the subterminal C atom. In contrast, propane was activated mainly at the subterminal C atom but also significantly at the terminal C atoms. A conservative estimate suggests that about 70% of the propane activation events occurred at the subterminal C atom and about 30% at the terminal C atoms. © 2013 Society for Applied Microbiology and John Wiley & Sons Ltd.

  16. The oxidation of n-butane to maleic anhydride under hydrocarbon-rich conditions: The role of homogeneous and of mixed homogeneous-heterogeneous reactions

    Energy Technology Data Exchange (ETDEWEB)

    Ballarini, N.; Cortelli, C.; Pierelli, F.; Trifiro, F. [Dipt. di Chimica Industriale e dei Materiali, Bologna (Italy); Cavani, F. [INSTM, Research Unit of Bologna (Italy); Fumagalli, C.; Mazzoni, G. [Lonzagroup, Scanzorosciate (Italy)

    2004-07-01

    The reactivity of vanadyl pyrophosphate, catalyst for the selective oxidation of n-butane to maleic anhydride, was examined under n-butane-rich conditions. A lower selectivity to maleic anhydride was found with respect to the hydrocarbon-lean conditions, due to (i) the higher selectivity to carbon oxides and (ii) the formation of C{sub 8} by-products: tetrahydrophthalic and phthalic anhydrides. The latter compounds formed under conditions of total oxygen conversion by a consecutive reaction of maleic anhydride with butadiene, intermediate in n-butane transformation, due to the decreased oxidizing property of the vanadyl pyrophosphate. A relevant contribution of radicalic, homogeneous reactions was also observed, which led to the formation of carbon oxides and olefins. This contribution decreased in the presence of the catalyst, which acted as a radical scavenger, but nevertheless remained important at temperatures higher than 400 C even in the presence of the catalyst. When conditions were used under which the conversion of oxygen was not total, olefins generated in the gas phase reacted at the catalyst surface yielding maleic anhydride. This homogeneously-initiated, heterogeneous process led to an unusual effect, of a relevant increase of maleic anhydride yield over 400 C. (orig.)

  17. Bioaugmentation with butane-utilizing microorganisms to promote in situ cometabolic treatment of 1,1,1-trichloroethane and 1,1-dichloroethene.

    Science.gov (United States)

    Semprini, Lewis; Dolan, Mark E; Hopkins, Gary D; McCarty, Perry L

    2009-01-26

    A field study was performed to evaluate the potential for in-situ aerobic cometabolism of 1,1,1-trichloroethane (1,1,1-TCA) through bioaugmentation with a butane enrichment culture containing predominantly two Rhodococcus sp. strains named 179BP and 183BP that could cometabolize 1,1,1-TCA and 1,1-dicholoroethene (1,1-DCE). Batch tests indicated that 1,1-DCE was more rapidly transformed than 1,1,1-TCA by both strains with 183BP being the most effective organism. This second in a series of bioaugmentation field studies was conducted in the saturated zone at the Moffett Field In Situ Test Facility in California. In the previous test, bioaugmentation with an enrichment culture containing the 183BP strain achieved short term in situ treatment of 1,1-DCE, 1,1,1-TCA, and 1,1-dichloroethane (1,1-DCA). However, transformation activity towards 1,1,1-TCA was lost over the course of the study. The goal of this second study was to determine if more effective and long-term treatment of 1,1,1-TCA could be achieved through bioaugmentation with a highly enriched culture containing 179BP and 183BP strains. Upon bioaugmentation and continuous addition of butane and dissolved oxygen and or hydrogen peroxide as sources of dissolved oxygen, about 70% removal of 1,1,1-TCA was initially achieved. 1,1-DCE that was present as a trace contaminant was also effectively removed (approximately 80%). No removal of 1,1,1-TCA resulted in a control test leg that was not bioaugmented, although butane and oxygen consumption by the indigenous populations was similar to that in the bioaugmented test leg. However, with prolonged treatment, removal of 1,1,1-TCA in the bioaugmented leg decreased to about 50 to 60%. Hydrogen pexoxide (H2O2) injection increased dissolved oxygen concentration, thus permitting more butane addition into the test zone, but more effective 1,1,1-TCA treatment did not result. The results showed bioaugmentation with the enrichment cultures was effective in enhancing the cometabolic

  18. Bioaugmentation with butane-utilizing microorganisms to promote in situ cometabolic treatment of 1,1,1-trichloroethane and 1,1-dichloroethene

    Science.gov (United States)

    Semprini, Lewis; Dolan, Mark E.; Hopkins, Gary D.; McCarty, Perry L.

    2009-01-01

    A field study was performed to evaluate the potential for in-situ aerobic cometabolism of 1,1,1-trichloroethane (1,1,1-TCA) through bioaugmentation with a butane enrichment culture containing predominantly two Rhodococcus sp. strains named 179BP and 183BP that could cometabolize 1,1,1-TCA and 1,1-dicholoroethene (1,1-DCE). Batch tests indicated that 1,1-DCE was more rapidly transformed than 1,1,1-TCA by both strains with 183BP being the most effective organism. This second in a series of bioaugmentation field studies was conducted in the saturated zone at the Moffett Field In Situ Test Facility in California. In the previous test, bioaugmentation with an enrichment culture containing the 183BP strain achieved short term in situ treatment of 1,1-DCE, 1,1,1-TCA, and 1,1-dichloroethane (1,1-DCA). However, transformation activity towards 1,1,1-TCA was lost over the course of the study. The goal of this second study was to determine if more effective and long-term treatment of 1,1,1-TCA could be achieved through bioaugmentation with a highly enriched culture containing 179BP and 183BP strains. Upon bioaugmentation and continuous addition of butane and dissolved oxygen and or hydrogen peroxide as sources of dissolved oxygen, about 70% removal of 1,1,1-TCA was initially achieved. 1,1-DCE that was present as a trace contaminant was also effectively removed (˜ 80%). No removal of 1,1,1-TCA resulted in a control test leg that was not bioaugmented, although butane and oxygen consumption by the indigenous populations was similar to that in the bioaugmented test leg. However, with prolonged treatment, removal of 1,1,1-TCA in the bioaugmented leg decreased to about 50 to 60%. Hydrogen pexoxide (H 2O 2) injection increased dissolved oxygen concentration, thus permitting more butane addition into the test zone, but more effective 1,1,1-TCA treatment did not result. The results showed bioaugmentation with the enrichment cultures was effective in enhancing the cometabolic treatment

  19. An Experimental Measurement on Laminar Burning Velocities and Markstein Length of Iso-Butane-Air Mixtures at Ambient Conditions

    Directory of Open Access Journals (Sweden)

    Yousif Alaeldeen Altag

    2016-01-01

    Full Text Available In the present work, experimental investigation on laminar combustion of iso-butane-air mixtures was conducted in constant volume explosion vessel. The experiments were conducted at wide range of equivalence ratios ranging between Ф = 0.6 and 1.4 and atmospheric pressure of 0.1 MPa and ambient temperature of 303K. Using spherically expanding flame method, flame parameters including stretched, unstretched flame propagation speeds, laminar burning velocities and Markstein length were calculated. For laminar burning velocities the method of error bars of 95% confidence level was applied. In addition, values of Markstein lengths were measured in wide range of equivalence ratios to study the influence of stretch rate on flame instability and burning velocity. It was found that the stretched flame speed and laminar burning velocities increased with equivalence ratios and the peak value was obtained at equivalence ratio of Ф = 1.1. The Markstein length decreased with the increases in equivalence ratios, which indicates that the diffusion thermal flame instability increased at high equivalence ratios in richer mixture side. However, the total deviations in the laminar burning velocities have discrepancies of 1.2-2.9% for all investigated mixtures.

  20. C-H Bond Cleavage by Bioinspired Nonheme Oxoiron(IV) Complexes, Including Hydroxylation of n-Butane.

    Science.gov (United States)

    Kleespies, Scott T; Oloo, Williamson N; Mukherjee, Anusree; Que, Lawrence

    2015-06-01

    The development of efficient and selective hydrocarbon oxidation processes with low environmental impact remains a major challenge of the 21st century because of the strong and apolar nature of the C-H bond. Naturally occurring iron-containing metalloenzymes can, however, selectively functionalize strong C-H bonds on substrates under mild and environmentally benign conditions. The key oxidant in a number of these transformations is postulated to possess an S = 2 Fe(IV)═O unit in a nonheme ligand environment. This oxidant has been trapped and spectroscopically characterized and its reactivity toward C-H bonds demonstrated for several nonheme iron enzyme classes. In order to obtain insight into the structure-activity relationships of these reactive intermediates, over 60 synthetic nonheme Fe(IV)(O) complexes have been prepared in various laboratories and their reactivities investigated. This Forum Article summarizes the current status of efforts in the characterization of the C-H bond cleavage reactivity of synthetic Fe(IV)(O) complexes and provides a snapshot of the current understanding of factors that control this reactivity, such as the properties of the supporting ligands and the spin state of the iron center. In addition, new results on the oxidation of strong C-H bonds such as those of cyclohexane and n-butane by a putative S = 2 synthetic Fe(IV)(O) species that is generated in situ using dioxygen at ambient conditions are presented.

  1. Oxidative Dehydrogenation of n-Butane over LaV Catalysts Supported on TiO2

    Directory of Open Access Journals (Sweden)

    Le Minh Cam

    2013-01-01

    Full Text Available The catalytic performance of vanadia catalysts with 15 wt% V supported on TiO2 and (15 wt% V + 4.6 wt% La supported on TiO2 in oxidative dehydrogenation (ODH of n-butane was investigated. The catalysts were characterized by means of TPD-NH3, TPR-H2, UV-Vis, and BET. Testing of samples showed that vanadia catalysts were active for the reaction. It was found that La doping of V/TiO2 catalyst had a negative effect on the dispersion of V species and led to formation of V2O5 clusters. This resulted in a loss of activity. Although slight improvement of selectivity was observed in comparison to undoped V/TiO2 samples due to lower acidity of La-doped –V/TiO2, this could not compensate the loss of activity and finally did not lead to higher butene yields.

  2. Stereoelectronic structure and 35Cl NQR parameters of 4-(trichlorgermyl)butan-2-one using ab initio calculations

    Science.gov (United States)

    Feshin, V. P.; Feshina, E. V.

    2012-03-01

    The results of ab initio calculations at the RHF/6-31G(d) and MP2/6-31G(d) levels of two stable structures of the 4-(trichlorgermyl)butan-2-one molecule with total optimization of their geometry have been represented. The structure with pentacoordinated Ge atom is energetically more advantageous as compared with that with tetracoordinated one. Using these results, the 35Cl nuclear quadrupole resonance (NQR) frequencies and asymmetry parameters of the electric field gradient (EFG) at the 35Cl nuclei in molecule with pentacoordinated Ge atom have been assessed, the frequencies satisfactorily agreeing with experimental data. Calculations at the RHF/6-31G(d) level have been performed also at various Ge⋯O distances. It has been demonstrated that convergence of the Ge and O coordination centers leads to the increase of positive charge at the Ge coordination center and of negative charge at the O coordination center, at that, electron density from the Ge atom shifts mainly to the axial Cl atom and from the C atom of carbonyl group - to its O atom. The electron density transfer from the O to Ge atom does not occur.

  3. Autoignited laminar lifted flames of methane, ethylene, ethane, and n-butane jets in coflow air with elevated temperature

    KAUST Repository

    Choi, Byungchul

    2010-12-01

    The autoignition characteristics of laminar lifted flames of methane, ethylene, ethane, and n-butane fuels have been investigated experimentally in coflow air with elevated temperature over 800. K. The lifted flames were categorized into three regimes depending on the initial temperature and fuel mole fraction: (1) non-autoignited lifted flame, (2) autoignited lifted flame with tribrachial (or triple) edge, and (3) autoignited lifted flame with mild combustion. For the non-autoignited lifted flames at relatively low temperature, the existence of lifted flame depended on the Schmidt number of fuel, such that only the fuels with Sc > 1 exhibited stationary lifted flames. The balance mechanism between the propagation speed of tribrachial flame and local flow velocity stabilized the lifted flames. At relatively high initial temperatures, either autoignited lifted flames having tribrachial edge or autoignited lifted flames with mild combustion existed regardless of the Schmidt number of fuel. The adiabatic ignition delay time played a crucial role for the stabilization of autoignited flames. Especially, heat loss during the ignition process should be accounted for, such that the characteristic convection time, defined by the autoignition height divided by jet velocity was correlated well with the square of the adiabatic ignition delay time for the critical autoignition conditions. The liftoff height was also correlated well with the square of the adiabatic ignition delay time. © 2010 The Combustion Institute.

  4. Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane.

    Science.gov (United States)

    Janda, Amber; Vlaisavljevich, Bess; Lin, Li-Chiang; Smit, Berend; Bell, Alexis T

    2016-04-13

    The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and dehydrogenation are investigated for eight zeolites differing in the topology of channels and cages. Monte Carlo simulations are used to calculate enthalpy and entropy changes for adsorption (ΔHads-H+ and ΔSads-H+) of gas-phase alkanes onto Brønsted protons. These parameters are used to extract intrinsic activation enthalpies (ΔHint‡), entropies (ΔSint‡), and rate coefficients (kint) from measured data. As ΔSads-H+ decreases (i.e., as confinement increases), ΔHint‡ and ΔSint‡ for terminal cracking and dehydrogenation decrease for a given channel topology. These results, together with positive values observed for ΔSint‡, indicate that the transition states for these reactions resemble products. For central cracking (an earlier transition state), ΔHint‡ is relatively constant, while ΔSint‡ increases as ΔSads-H+ decreases because less entropy is lost upon protonation of the alkane. Concurrently, selectivities to terminal cracking and dehydrogenation decrease relative to central cracking because ΔSint‡ decreases for the former reactions. Depending on channel topology, changes in the measured rate coefficients (kapp) with confinement are driven by changes in kint or by changes in the adsorption equilibrium constant (Kads-H+). Values of ΔSint‡ and ΔHint‡ are positively correlated, consistent with weaker interactions between the zeolite and transition state and with the greater freedom of movement of product fragments within more spacious pores. These results differ from earlier reports that ΔHint‡ and ΔSint‡ are structure-insensitive and that kapp is dominated by Kads-H+. They also suggest that ΔSads-H+ is a meaningful descriptor of confinement for zeolites having similar channel topologies.

  5. Process optimization and characterization of fragrant oil from red pepper (Capsicum annuum L.) seed extracted by subcritical butane extraction.

    Science.gov (United States)

    Gu, Ling-Biao; Pang, Hui-Li; Lu, Ke-Ke; Liu, Hua-Min; Wang, Xue-De; Qin, Guang-Yong

    2017-04-01

    Red pepper seeds account for 450-500 g kg-1 of the total pepper weight and are often discarded as waste. In this study, process optimization and characterization of fragrant oil from roasted red pepper seed extracted by subcritical butane extraction were carried out. The optimal conditions of extraction were a temperature of 74.61 °C, a time of 68.65 min and a liquid/solid ratio of 30.24:1. The oil had a refractive index (25 °C) of 1.471, a relative density of 0.900, an acid value of 1.421 mg g-1 oil, an iodine value of 127.035 g per 100 g, a saponification value of 184.060 mg KOH g-1 , an unsaponifiable matter content of 12.400 g kg-1 , a peroxide value of 2.465 meq. O2 kg-1 and a viscosity of 52.094 cP. The main fatty acids in the oil were linoleic acid (72.95%) followed by palmitic acid (11.43%) and oleic acid (10.00%). The oil showed desirable thermal and oxidative stability. A total of 19 volatile compounds, mostly aldehydes and alkenes, were identified from the oil. The results indicated that the method is appropriate for the preparation of fragrant red pepper seed oil, and the oil is suitable for used as edible oil. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  6. Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag 3 Pd(111)

    Energy Technology Data Exchange (ETDEWEB)

    Dix, Sean T. [Department of Chemical and Biomolecular Engineering; Clemson University; Clemson, USA; Scott, Joseph K. [Department of Chemical and Biomolecular Engineering; Clemson University; Clemson, USA; Getman, Rachel B. [Department of Chemical and Biomolecular Engineering; Clemson University; Clemson, USA; Campbell, Charles T. [Department of Chemistry; University of Washington; Seattle, USA

    2016-01-01

    Metal nanoparticles encapsulated within metal organic frameworks (MOFs) offer steric restrictions near the catalytic metal that can improve selectivity, much like in enzymes. A microkinetic model is developed for the regio-selective oxidation ofn-butane to 1-butanol with O2over a model for MOF-encapsulated bimetallic nanoparticles. The model consists of a Ag3Pd(111) surface decorated with a 2-atom-thick ring of (immobile) helium atoms which creates an artificial pore of similar size to that in common MOFs, which sterically constrains the adsorbed reaction intermediates. The kinetic parameters are based on energies calculated using density functional theory (DFT). The microkinetic model was analysed at 423 K to determine the dominant pathways and which species (adsorbed intermediates and transition states in the reaction mechanism) have energies that most sensitively affect the reaction rates to the different products, using degree-of-rate-control (DRC) analysis. This analysis revealed that activation of the C–H bond is assisted by adsorbed oxygen atoms, O*. Unfortunately, O* also abstracts H from adsorbed 1-butanol and butoxy as well, leading to butanal as the only significant product. This suggested to (1) add water to produce more OH*, thus inhibiting these undesired steps which produce OH*, and (2) eliminate most of the O2pressure to reduce the O* coverage, thus also inhibiting these steps. Combined with increasing butane pressure, this dramatically improved the 1-butanol selectivity (from 0 to 95%) and the rate (to 2 molecules per site per s). Moreover, 40% less O2was consumed per oxygen atom in the products. Under these conditions, a terminal H in butane is directly eliminated to the Pd site, and the resulting adsorbed butyl combines with OH* to give the desired 1-butanol. These results demonstrate that DRC analysis provides a powerful approach for optimizing catalytic process conditions, and

  7. 4,6-Dibromo-N-{3-[(4,6-dibromo-2,3-dimethylphenylimino]butan-2-ylidene}-2,3-dimethylaniline

    Directory of Open Access Journals (Sweden)

    Lina Huang

    2013-10-01

    Full Text Available The title compound, C20H20Br4N2, is a product of the condensation reaction of 4,6-dibromo-2,3-dimethylaniline and butane-2,3-dione. The molecule has a center of symmetry at the mid-point of the central C—C bond. The dihedral angle between the benzene ring and the 1,4-diazabutadiene plane is 78.3 (2°. Niether hydrogen bonding nor aromatic stacking is observed in the crystal structure.

  8. Poly[[[diaquacobalt(II]-bis[μ2-1,1′-(butane-1,4-diyldiimidazole-κ2N3:N3′

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available In the title compound, {[Co(C10H14N42(H2O2](NO32}n, the CoII ion lies on an inversion center and is six-coordinated in an octahedral environment by four N atoms from four different 1,1′-butane-1,4-diyldiimidazole ligands and two O atoms from the two water molecules. The CoII atoms are bridged by ligands, generating a two-dimensional (4,4-network. Adjacent fishnet planes are linked to the nitrate anions via O—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

  9. Densities and vapor-liquid equilibria in binary mixtures formed by propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol at 160.0 kPa

    Energy Technology Data Exchange (ETDEWEB)

    Falcon, J.; Ortega, J.; Gonzalez, E. [Escuela Superior de Ingenieros Industriales, Las Palmas (Spain). Laboratorio de Termodinamica y Fisicoquimica

    1996-07-01

    Densities and excess volumes were determined at 298.15 K for propyl methanoate + ethanol, + propan-1-ol, and + butan-1-ol. The results of those quantities were then correlated to get the concentrations of vapor-liquid equilibrium obtained isobarically at 160 kPa for the same mixtures. Two mixtures show azeotropes: for propyl methanoate (1) + ethanol (2), x{sub 1} = 0.443 at T = 358.7 K; and for propyl methanoate (1) + propan-1-ol (2), x{sub 1} = 0.762 at T = 368.2 K. The mixtures are thermodynamically consistent, and the predictions made using several group-contribution models are satisfactory.

  10. Site-Specific Rate Constant Measurements for Primary and Secondary H- and D-Abstraction by OH Radicals: Propane and n -Butane

    KAUST Repository

    Badra, Jihad

    2014-07-03

    Site-specific rate constants for hydrogen (H) and deuterium (D) abstraction by hydroxyl (OH) radicals were determined experimentally by monitoring the reaction of OH with two normal and six deuterated alkanes. The studied alkanes include propane (C3H8), propane 2,2 D2 (CH 3CD2CH3), propane 1,1,1-3,3,3 D6 (CD 3CH2CD3), propane D8 (C3D 8), n-butane (n-C4H10), butane 2,2-3,3 D4 (CH3CD2CD2CH3), butane 1,1,1-4,4,4 D6 (CD3CH2CH2CD3), and butane D10 (C4D10). Rate constant measurements were carried out over 840-1470 K and 1.2-2.1 atm using a shock tube and OH laser absorption. Previous low-temperature data were combined with the current high-temperature measurements to generate three-parameter fits which were then used to determine the site-specific rate constants. Two primary (P1,H and P 1,D) and four secondary (S00,H, S00,D, S 01,H, and S01,D) H- and D-abstraction rate constants, in which the subscripts refer to the number of C atoms connected to the next-nearest-neighbor C atom, are obtained. The modified Arrhenius expressions for the six site-specific abstractions by OH radicals are P1,H = 1.90 × 10-18T2.00 exp(-340.87 K/T) cm 3molecule-1s-1 (210-1294 K); P1,D= 2.72 × 10-17 T1.60 exp(-895.57 K/T) cm 3molecule-1s-1 (295-1317 K); S00,H = 4.40 × 10-18 T1.93 exp(121.50 K/T) cm 3molecule-1s-1 (210-1294 K); S00,D = 1.45 × 10-20 T2.69 exp(282.36 K/T) cm 3molecule-1s-1 (295-1341 K); S01,H = 4.65 × 10-17 T1.60 exp(-236.98 K/T) cm 3molecule-1s-1 (235-1407 K); S01,D = 1.26 × 10-18 T2.07 exp(-77.00 K/T) cm 3molecule-1s-1 (294-1412 K). © 2014 American Chemical Society.

  11. Poly[bis[chloridocopper(I]-μ4-1,4-bis[1-(3-pyridylmethyl-1H-benzimidazol-2-yl]butane

    Directory of Open Access Journals (Sweden)

    Jian-Fang Ma

    2008-05-01

    Full Text Available The title CuI coordination polymer, [Cu2Cl2(C30H28N6]n, was obtained by reaction of CuCl2·2H2O and 1,4-bis[1-(3-pyridylmethyl-1H-benzimidazol-2-yl]butane. Each CuI cation is three-coordinated by a ClN2 donor set. The anion acts as a tetradentate ligand, linking CuI centres into a polymeric chain.

  12. Volumetric Properties of the Mixture Butan-2-ol C4H10O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB4536_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Butan-2-ol C4H10O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB4536_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  13. Volumetric Properties of the Mixture Butan-2-one C4H8O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB3990_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Butan-2-one C4H8O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB3990_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  14. Heat of Mixing and Solution of Butan-2-one C4H8O + C4H10O 2-Methylpropan-2-ol (HMSD1111, LB4043_H)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'heat of Mixing and Solution of Butan-2-one C4H8O + C4H10O 2-Methylpropan-2-ol (HMSD1111, LB4043_H)' providing data from direct low-pressure calorimetric measurement of molar excess enthalpy at variable mole fraction and constant temperature.

  15. Volumetric Properties of the Mixture Butan-1-ol C4H10O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB4535_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Butan-1-ol C4H10O + C4H10O 2-Methylpropan-2-ol (VMSD1211, LB4535_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  16. Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag3Pd(111).

    Science.gov (United States)

    Dix, Sean T; Scott, Joseph K; Getman, Rachel B; Campbell, Charles T

    2016-07-04

    Metal nanoparticles encapsulated within metal organic frameworks (MOFs) offer steric restrictions near the catalytic metal that can improve selectivity, much like in enzymes. A microkinetic model is developed for the regio-selective oxidation of n-butane to 1-butanol with O2 over a model for MOF-encapsulated bimetallic nanoparticles. The model consists of a Ag3Pd(111) surface decorated with a 2-atom-thick ring of (immobile) helium atoms which creates an artificial pore of similar size to that in common MOFs, which sterically constrains the adsorbed reaction intermediates. The kinetic parameters are based on energies calculated using density functional theory (DFT). The microkinetic model was analysed at 423 K to determine the dominant pathways and which species (adsorbed intermediates and transition states in the reaction mechanism) have energies that most sensitively affect the reaction rates to the different products, using degree-of-rate-control (DRC) analysis. This analysis revealed that activation of the C-H bond is assisted by adsorbed oxygen atoms, O*. Unfortunately, O* also abstracts H from adsorbed 1-butanol and butoxy as well, leading to butanal as the only significant product. This suggested to (1) add water to produce more OH*, thus inhibiting these undesired steps which produce OH*, and (2) eliminate most of the O2 pressure to reduce the O* coverage, thus also inhibiting these steps. Combined with increasing butane pressure, this dramatically improved the 1-butanol selectivity (from 0 to 95%) and the rate (to 2 molecules per site per s). Moreover, 40% less O2 was consumed per oxygen atom in the products. Under these conditions, a terminal H in butane is directly eliminated to the Pd site, and the resulting adsorbed butyl combines with OH* to give the desired 1-butanol. These results demonstrate that DRC analysis provides a powerful approach for optimizing catalytic process conditions, and that highly selectivity oxidation can sometimes be achieved by

  17. Evidence for involvement of copper ions and redox state in regulation of butane monooxygenase in Pseudomonas butanovora.

    Science.gov (United States)

    Doughty, D M; Kurth, E G; Sayavedra-Soto, L A; Arp, D J; Bottomley, P J

    2008-04-01

    Pseudomonas butanovora possesses an alcohol-inducible alkane monooxygenase, butane monooxygenase (BMO), that initiates growth on C(2)-C(9) alkanes. A lacZ transcriptional reporter strain, P. butanovora bmoX::lacZ, in which the BMO promoter controls the expression of beta-galactosidase activity, was used to show that 1-butanol induced the BMO promoter in the presence or absence of O(2) when lactate-grown, BMO-repressed cells were washed free of lactate and incubated in NH(4)Cl-KNa phosphate buffer. In contrast, when lactate-grown cells of the reporter strain were incubated in phosphate buffer containing the mineral salts of standard growth medium, 1-butanol-dependent induction was significantly repressed at low O(2) (1 to 2% [vol/vol]) and totally repressed under anoxic conditions. The repressive effect of the mineral salts was traced to its copper content. In cells exposed to 1% (vol/vol) O(2), CuSO(4) (0.5 microM) repressed 1-butanol-dependent induction of beta-galactosidase activity. Under oxic conditions (20% O(2) [vol/vol]), significantly higher concentrations of CuSO(4) (2 microM) were required for almost complete repression of induction in lactate-grown cells. A combination of the Cu(2+) reducing agent Na ascorbate (100 microM) and CuSO(4) (0.5 microM) repressed the induction of beta-galactosidase activity under oxic conditions to the same extent that 0.5 microM CuSO(4) alone repressed it under anoxic conditions. Under oxic conditions, 2 microM CuSO(4) repressed induction of the BMO promoter less effectively in butyrate-grown cells of the bmoX::lacZ strain and of an R8-bmoX::lacZ mutant reporter strain with a putative BMO regulator, BmoR, inactivated. Under anoxic conditions, CuSO(4) repression remained highly effective, regardless of the growth substrate, in both BmoR-positive and -negative reporter strains.

  18. Unusual Butane- and Pentanetriol-Based Tetraether Lipids in Methanomassiliicoccus luminyensis, a Representative of the Seventh Order of Methanogens.

    Science.gov (United States)

    Becker, Kevin W; Elling, Felix J; Yoshinaga, Marcos Y; Söllinger, Andrea; Urich, Tim; Hinrichs, Kai-Uwe

    2016-08-01

    A new clade of archaea has recently been proposed to constitute the seventh methanogenic order, the Methanomassiliicoccales, which is related to the Thermoplasmatales and the uncultivated archaeal clades deep-sea hydrothermal vent Euryarchaeota group 2 and marine group II Euryarchaeota but only distantly related to other methanogens. In this study, we investigated the membrane lipid composition of Methanomassiliicoccus luminyensis, the sole cultured representative of this seventh order. The lipid inventory of M. luminyensis comprises a unique assemblage of novel lipids as well as lipids otherwise typical for thermophilic, methanogenic, or halophilic archaea. For instance, glycerol sesterpanyl-phytanyl diether core lipids found mainly in halophilic archaea were detected, and so were compounds bearing either heptose or methoxylated glycosidic head groups, neither of which have been reported so far for other archaea. The absence of quinones or methanophenazines is consistent with a biochemistry of methanogenesis different from that of the methanophenazine-containing methylotrophic methanogens. The most distinctive characteristic of the membrane lipid composition of M. luminyensis, however, is the presence of tetraether lipids in which one glycerol backbone is replaced by either butane- or pentanetriol, i.e., lipids recently discovered in marine sediments. Butanetriol dibiphytanyl glycerol tetraether (BDGT) constitutes the most abundant core lipid type (>50% relative abundance) in M. luminyensis We have thus identified a source for these unusual orphan lipids. The complementary analysis of diverse marine sediment samples showed that BDGTs are widespread in anoxic layers, suggesting an environmental significance of Methanomassiliicoccales and/or related BDGT producers beyond gastrointestinal tracts. Cellular membranes of members of all three domains of life, Archaea, Bacteria, and Eukarya, are largely formed by lipids in which glycerol serves as backbone for the

  19. Evidence for Involvement of Copper Ions and Redox State in Regulation of Butane Monooxygenase in Pseudomonas butanovora▿

    Science.gov (United States)

    Doughty, D. M.; Kurth, E. G.; Sayavedra-Soto, L. A.; Arp, D. J.; Bottomley, P. J.

    2008-01-01

    Pseudomonas butanovora possesses an alcohol-inducible alkane monooxygenase, butane monooxygenase (BMO), that initiates growth on C2-C9 alkanes. A lacZ transcriptional reporter strain, P. butanovora bmoX::lacZ, in which the BMO promoter controls the expression of β-galactosidase activity, was used to show that 1-butanol induced the BMO promoter in the presence or absence of O2 when lactate-grown, BMO-repressed cells were washed free of lactate and incubated in NH4Cl-KNa phosphate buffer. In contrast, when lactate-grown cells of the reporter strain were incubated in phosphate buffer containing the mineral salts of standard growth medium, 1-butanol-dependent induction was significantly repressed at low O2 (1 to 2% [vol/vol]) and totally repressed under anoxic conditions. The repressive effect of the mineral salts was traced to its copper content. In cells exposed to 1% (vol/vol) O2, CuSO4 (0.5 μM) repressed 1-butanol-dependent induction of β-galactosidase activity. Under oxic conditions (20% O2 [vol/vol]), significantly higher concentrations of CuSO4 (2 μM) were required for almost complete repression of induction in lactate-grown cells. A combination of the Cu2+ reducing agent Na ascorbate (100 μM) and CuSO4 (0.5 μM) repressed the induction of β-galactosidase activity under oxic conditions to the same extent that 0.5 μM CuSO4 alone repressed it under anoxic conditions. Under oxic conditions, 2 μM CuSO4 repressed induction of the BMO promoter less effectively in butyrate-grown cells of the bmoX::lacZ strain and of an R8-bmoX::lacZ mutant reporter strain with a putative BMO regulator, BmoR, inactivated. Under anoxic conditions, CuSO4 repression remained highly effective, regardless of the growth substrate, in both BmoR-positive and -negative reporter strains. PMID:18281403

  20. Addressing the selectivity issue of cobalt doped zinc oxide thin film iso-butane sensors: Conductance transients and principal component analyses

    Science.gov (United States)

    Ghosh, A.; Majumder, S. B.

    2017-07-01

    Iso-butane (i-C4H10) is one of the major components of liquefied petroleum gas which is used as fuel in domestic and industrial applications. Developing chemi-resistive selective i-C4H10 thin film sensors remains a major challenge. Two strategies were undertaken to differentiate carbon monoxide, hydrogen, and iso-butane gases from the measured conductance transients of cobalt doped zinc oxide thin films. Following the first strategy, the response and recovery transients of conductances in these gas environments are fitted using the Langmuir adsorption kinetic model to estimate the heat of adsorption, response time constant, and activation energies for adsorption (response) and desorption (recovery). Although these test gases have seemingly different vapor densities, molecular diameters, and reactivities, analyzing the estimated heat of adsorption and activation energies (for both adsorption and desorption), we could not differentiate these gases unequivocally. However, we have found that the lower the vapor density, the faster the response time irrespective of the test gas concentration. As a second strategy, we demonstrated that feature extraction of conductance transients (using fast Fourier transformation) in conjunction with the pattern recognition algorithm (principal component analysis) is more fruitful to address the cross-sensitivity of Co doped ZnO thin film sensors. We have found that although the dispersion among different concentrations of hydrogen and carbon monoxide could not be avoided, each of these three gases forms distinct clusters in the plot of principal component 2 versus 1 and therefore could easily be differentiated.

  1. Synthesis, characterization and structure effects on preconcentration and extraction of N,N'-bis-(salicylaldehydene)-1,4-bis-(p-aminophenoxy) butane towards some divalent cations.

    Science.gov (United States)

    Ziyadanoğullari, Berrin; Ceviziçi, Deniz; Temel, Hamdi; Ziyadanoğullari, Recep

    2008-01-31

    Separation with solvent extraction of Cu(II), Co(II) and Ni(II) from aqueous solution using N,N'-bis-(salicylaldehydene)-1,4-bis-(p-aminophenoxy)butane (H(2)L) as the new extractant has been studied. The new Schiff base, was synthesized by reaction of 1,4-bis-(p-aminophenoxy)butane and salicylaldehyde. Microanalytical data, elemental analysis, UV-vis (1)H NMR and (13)C NMR spectra and IR-spectra were used to confirm the structures. The extractability and selectivity of divalent cations was evaluated as a function of relationship between distribution ratios of the metal and pH or ligand concentration. Cu(+2) showed the highest extractability and selectivity at pH 7.8, whereas Ni(+2) and Co(+2) showed at pH 9.2. From the loaded organic phase, Cu(II), Co(II), Ni(II) stripping were carried out in one stage with aqueous acid solution including various concentrations of HCl. The stripping efficiency was found to be quantitative in case of 1.5M HCl. From quantitative evaluation of the extraction equilibrium data, it has been deduced that the complexes extracted are the simple 1:1 chelates, CuL, CoL, NiL.

  2. Vanadium phosphates on mesoporous supports: model catalysts for solid-state NMR studies of the selective oxidation of n-butane.

    Science.gov (United States)

    Frey, Jörg; Sang Ooi, Yean; Thomas, Bejoy; Reddy Marthala, V R; Bressel, Arne; Schölkopf, Thomas; Schleid, Thomas; Hunger, Michael

    2009-04-01

    SBA-15 was utilized as mesoporous support for the dispersion of vanadium phosphate (VPO) compounds. Loading of SBA-15 with VPO compounds was found to be accompanied by decreasing (29)Si MAS NMR signals of Q(2) (Si(2Si,2OH)) and Q(3) (Si(3Si,1OH)) silicon species, which indicates coverage of the mesoporous support by the guest compounds. The (51)V MAS NNR spectra of the activated VPO/SBA-15 catalysts consist of patterns typical for the alpha(II)- and beta-phases of vanadyl orthophosphate. In the (31)P MAS NMR spectra of the activated VPO/SBA-15 catalysts, signals of beta-, delta-, and alpha(II)-VOPO(4) phases could be identified. Upon conversion of n-butane-(13)C(4), a strong decrease of the (31)P MAS NMR signals characteristic for the delta-VOPO(4) phase occurred, while by (13)C MAS NMR spectroscopy the formation of maleic anhydride, carbon monoxide, and carbon dioxide was observed. This finding supports the active role of the delta-VOPO(4) phase in the selective oxidation of n-butane on VPO/SBA-15 catalysts.

  3. Cytotoxic activity of butane type of 1,7-seco-2,7'-cyclolignanes and apoptosis induction by Caspase 9 and 3.

    Science.gov (United States)

    Wukirsari, Tuti; Nishiwaki, Hisashi; Nishi, Kosuke; Sugahara, Takuya; Akiyama, Koichi; Kishida, Taro; Yamauchi, Satoshi

    2014-09-01

    All stereoisomers of methoxybutane and fluorobutane type of 1,7-seco-2,7'-cyclolignane were synthesized and cytotoxic activities of these compounds were compared with those of all stereoisomers of butane and butanol type compounds. Both enantiomers of butane type secocyclolignane showed higher cytotoxic activity (IC50=16-20 μM) than methoxy type compounds, whereas none was observed for all the stereoisomers of butanol type secocyclolignane, however, (-)-Kadangustin J showed stereospecific cytotoxic activity (IC50=47-67 μM). Since (R)-9'-fluoro derivative 23 was most potent (IC50=19 μM) among the corresponding fluoro stereoisomers, (R)-9'-alkyl derivatives were synthesized, hydrophobic 9'-heptyl derivative 27 showing highest activity (IC50=3.7 μM against HL-60, IC50=3.1 μM against HeLa) in this experiment. Apoptosis induction caused by Caspase 3 and 9 for (R)-9'-heptyl derivative 27 was observed in the research on the mechanism. A degradation of DNA into small fragments was also shown by DNA ladder assay. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. The Fabrication of Ga2O3/ZSM-5 Hollow Fibers for Efficient Catalytic Conversion of n-Butane into Light Olefins and Aromatics

    Directory of Open Access Journals (Sweden)

    Jing Han

    2016-01-01

    Full Text Available In this study, the dehydrogenation component of Ga2O3 was introduced into ZSM-5 nanocrystals to prepare Ga2O3/ZSM-5 hollow fiber-based bifunctional catalysts. The physicochemical features of as-prepared catalysts were characterized by means of XRD, BET, SEM, STEM, NH3-TPD, etc., and their performances for the catalytic conversion of n-butane to produce light olefins and aromatics were investigated. The results indicated that a very small amount of gallium can cause a marked enhancement in the catalytic activity of ZSM-5 because of the synergistic effect of the dehydrogenation and aromatization properties of Ga2O3 and the cracking function of ZSM-5. Compared with Ga2O3/ZSM-5 nanoparticles, the unique hierarchical macro-meso-microporosity of the as-prepared hollow fibers can effectively enlarge the bifunctionality by enhancing the accessibility of active sites and the diffusion. Consequently, Ga2O3/ZSM-5 hollow fibers show excellent catalytic conversion of n-butane, with the highest yield of light olefins plus aromatics at 600 °C by 87.6%, which is 56.3%, 24.6%, and 13.3% higher than that of ZSM-5, ZSM-5 zeolite fibers, and Ga2O3/ZSM-5, respectively.

  5. Extraction, chemical characterization and antioxidant activity ofLitchi chinensisSonn. andAvena sativaL. seeds extracts obtained from pressurizedn-butane.

    Science.gov (United States)

    Paliga, Marshall; Novello, Zuleica; Dallago, Rogério M; Scapinello, Jaqueline; Magro, Jacir Dal; Di Luccio, Marco; Tres, Marcus V; Oliveira, J Vladimir

    2017-03-01

    The extraction of litchi ( Litchi chinensis Sonn.) and oat ( Avena sativa L.) seeds were investigated using n -butane as pressurized solvent by evaluating the effect of pressure in the range of 7-100 bar and temperature from 25 to 70 °C on the extract yield and chemical composition together with the antioxidant activity of the extracts obtained. It was experimentally observed extraction yields for both seeds up to ~3.5 wt%, with a total phenolic content around 126.4 mg GAE/100 g of extract, and an antioxidant activity up to 78.36%. Oat seeds extract presented higher values of these parameters evaluated compared to litchi extract. Based on the results found, it seems that n -butane may be a promising solvent to conventional extraction methods, as mild operating conditions and eco-friendly solvent can be used to provide good results without any residues in the final product.

  6. A Fatal Case of Acute Butane-Propane Poisoning in a Prisoner Under Psychiatric Treatment: Do These 2 Factors Have an Arrhythmogenic Interaction, Thus Increasing the Cardiovascular Risk Profile?

    Science.gov (United States)

    Gioia, Sara; Lancia, Massimo; Bacci, Mauro; Suadoni, Fabio

    2015-12-01

    Sudden death due to inhalation of aliphatic hydrocarbons such as butane and propane is well described in the literature. The main mechanism involved is the induction of a fatal cardiac arrhythmia. This phenomenon is frequently associated with prisoners who accidentally die while sniffing these volatile substances with an abuse purpose. Furthermore, such prisoners are often under psychiatric treatment; specific drugs belonging to this pharmacological class lead to a drug-related QT interval prolongation, setting the stage for torsade de pointes. In this article, we present the case of a prisoner died after sniffing a butane-propane gas mixture from a prefilled camping stove gas canister. The man was under psychiatric drugs due to mental disorders. He was constantly subjected to electrocardiogram to monitor the QTc (corrected QT interval), which was 460 milliseconds long. Toxicological analysis on cadaveric samples was performed by means of gas chromatography (head space) and revealed the presence of butane and propane at low levels. The aim of this article was to discuss a possible arrhythmogenic interaction of QT interval prolongation induced by psychiatric drugs and butane-propane inhalations, increasing the cardiovascular risk profile. In other words, evidence may suggest that prisoners, under these circumstances, are more likely to experience cardiovascular adverse effects. We believe that this study underlines the need to take this hypothesis into account to reduce death risk in prison and any medical-related responsibilities. Further studies are needed to validate the hypothesis.

  7. Human dosimetry of carbon-11 labeled N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide extrapolated from whole-body distribution kinetics and radiometabolism in rats

    DEFF Research Database (Denmark)

    Luoto, Pauliina; Laitinen, Iina; Suilamo, Sami

    2010-01-01

    Carbon-11 labeled N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide ([11C]PK11195) is a peripheral benzodiazepine receptor (PBR) antagonist that is used as a positron emission tomography (PET) radiopharmaceutical for neuroinflammatory imaging. This study was designed to investigate...

  8. The effect of the pore structure of medium-pore zeolites on the dehydroisomerization of n-butane: A comparison of Pt-FER, Pt-TON and Pt-ZSM5

    NARCIS (Netherlands)

    Pirngruber, G.D.; Zinck, O.P.E.; Seshan, Kulathuiyer; Lercher, J.A.

    2000-01-01

    The catalytic dehydroisomerization of n-butane over Pt–ZSM5, Pt–TON, and Pt–FER was investigated. Pt–ZSM5 showed the highest yield and selectivity to isobutene. Most of the by-products of Pt–ZSM5 were formed by oligomerization/cracking of butene, while acid-catalyzed cracking and metal-catalyzed

  9. Evidence for modified mechanisms of chloroethene oxidation in Pseudomonas butanovora mutants containing single amino acid substitutions in the hydroxylase alpha-subunit of butane monooxygenase.

    Science.gov (United States)

    Halsey, Kimberly H; Doughty, David M; Sayavedra-Soto, Luis A; Bottomley, Peter J; Arp, Daniel J

    2007-07-01

    The properties of oxidation of dichloroethene (DCE) and trichloroethylene (TCE) by three mutant strains of Pseudomonas butanovora containing single amino acid substitutions in the alpha-subunit of butane monooxygenase hydroxylase (BMOH-alpha) were compared to the properties of the wild-type strain (Rev WT). The rates of oxidation of three chloroethenes (CEs) were reduced in mutant strain G113N and corresponded with a lower maximum rate of butane oxidation. The rate of TCE degradation was reduced by one-half in mutant strain L279F, whereas the rates of DCE oxidation were the same as those in Rev WT. Evidence was obtained that the composition of products of CE oxidation differed between Rev WT and some of the mutant strains. For example, while Rev WT released nearly all available chlorine stoichiometrically during CE oxidation, strain F321Y released about 40% of the chlorine during 1,2-cis-DCE and TCE oxidation, and strain G113N released between 14 and 25% of the available chlorine during oxidation of DCE and 56% of the available chlorine during oxidation of TCE. Whereas Rev WT, strain L279F, and strain F321Y formed stoichiometric amounts of 1,2-cis-DCE epoxide during oxidation of 1,2-cis-DCE, only about 50% of the 1,2-cis-DCE oxidized by strain G113N was detected as the epoxide. Evidence was obtained that 1,2-cis-DCE epoxide was a substrate for butane monooxygenase (BMO) that was oxidized after the parent compound was consumed. Yet all of the mutant strains released less than 40% of the available 1,2-cis-DCE chlorine, suggesting that they have altered activity towards the epoxide. In addition, strain G113N was unable to degrade the epoxide. TCE epoxide was detected during exposure of Rev WT and strain F321Y to TCE but was not detected with strains L279F and G113N. Lactate-dependent O(2) uptake rates were differentially affected by DCE degradation in the mutant strains, providing evidence that some products released by the altered BMOs reduced the impact of CE on

  10. Evidence for Modified Mechanisms of Chloroethene Oxidation in Pseudomonas butanovora Mutants Containing Single Amino Acid Substitutions in the Hydroxylase α-Subunit of Butane Monooxygenase▿

    Science.gov (United States)

    Halsey, Kimberly H.; Doughty, David M.; Sayavedra-Soto, Luis A.; Bottomley, Peter J.; Arp, Daniel J.

    2007-01-01

    The properties of oxidation of dichloroethene (DCE) and trichloroethylene (TCE) by three mutant strains of Pseudomonas butanovora containing single amino acid substitutions in the α-subunit of butane monooxygenase hydroxylase (BMOH-α) were compared to the properties of the wild-type strain (Rev WT). The rates of oxidation of three chloroethenes (CEs) were reduced in mutant strain G113N and corresponded with a lower maximum rate of butane oxidation. The rate of TCE degradation was reduced by one-half in mutant strain L279F, whereas the rates of DCE oxidation were the same as those in Rev WT. Evidence was obtained that the composition of products of CE oxidation differed between Rev WT and some of the mutant strains. For example, while Rev WT released nearly all available chlorine stoichiometrically during CE oxidation, strain F321Y released about 40% of the chlorine during 1,2-cis-DCE and TCE oxidation, and strain G113N released between 14 and 25% of the available chlorine during oxidation of DCE and 56% of the available chlorine during oxidation of TCE. Whereas Rev WT, strain L279F, and strain F321Y formed stoichiometric amounts of 1,2-cis-DCE epoxide during oxidation of 1,2-cis-DCE, only about 50% of the 1,2-cis-DCE oxidized by strain G113N was detected as the epoxide. Evidence was obtained that 1,2-cis-DCE epoxide was a substrate for butane monooxygenase (BMO) that was oxidized after the parent compound was consumed. Yet all of the mutant strains released less than 40% of the available 1,2-cis-DCE chlorine, suggesting that they have altered activity towards the epoxide. In addition, strain G113N was unable to degrade the epoxide. TCE epoxide was detected during exposure of Rev WT and strain F321Y to TCE but was not detected with strains L279F and G113N. Lactate-dependent O2 uptake rates were differentially affected by DCE degradation in the mutant strains, providing evidence that some products released by the altered BMOs reduced the impact of CE on cellular

  11. Thermodynamic Property Surfaces for Adsorption of R507A, R134a, and n -Butane on Pitch-Based Carbonaceous Porous Materials

    KAUST Repository

    Chakraborty, Anutosh

    2010-10-01

    The thermodynamic property surfaces of R507A, R134a, and n-butane on pitch-based carbonaceous porous material (Maxsorb III) are developed from rigorous classical thermodynamics and experimentally measured adsorption isotherm data. These property fields enable us to compute the entropy, enthalpy, internal energy, and heat of adsorption as a function of pressure, temperature, and the amount of adsorbate. The entropy and enthalpy maps are necessary for the analysis of adsorption cooling cycle and gas storage. We have shown here that it is possible to plot an adsorption cooling cycle on the temperature-entropy (T-s) and enthalpy-uptake (h-x) maps. Copyright © Taylor and Francis Group, LLC 2010.

  12. Intermittent simulated moving bed chromatographic separation of (RS,RS)-2-(2,4-difluorophenyl)butane-1,2,3-triol.

    Science.gov (United States)

    Acetti, Daniela; Langel, Christian; Brenna, Elisabetta; Fuganti, Claudio; Mazzotti, Marco

    2010-04-23

    The pharmaceutically relevant compound (RS,RS)-2-(2,4-difluorophenyl)butane-1,2,3-triol, an important intermediate in the production of different antifungal drugs, is synthesized in racemic form. For further use in the laboratory the compound has to be separated into its pure enantiomers. This work describes the different steps required to set up a chiral separation using intermittent simulated moving bed chromatography (I-SMB). Furthermore, the effect of feed concentration on the choice of the operating conditions is presented in the frame of the triangle theory. The experiments are carried out at increasing total feed concentration ranging from 3 to 15 g/L. The results demonstrate that a successful I-SMB separation could be carried out thus separating 4.5 g of the racemic mixture and fulfilling the specified purity specification of 98% for both enantiomers. Copyright 2010 Elsevier B.V. All rights reserved.

  13. Kinetics of phosphotungstic acid catalyzed oxidation of propan-1,3-diol and butan-1,4-diol by N-chlorosaccharin

    Directory of Open Access Journals (Sweden)

    Sanjay Kumar Singh

    2011-09-01

    Full Text Available The kinetic studies of N-chlorosaccharin (NCSA oxidation of propan-1,3-diol and butan-1,4-diol have been reported in presence of phophotungstic acid and in aqueous acetic acid medium. The reactions follow first-order in NCSA and one to zero order with respect to substrate and phosphotungstic acid. Increase in the concentration of added perchloric acid increases the rate of oxidation. A negative effect on the oxidation rate is observed for solvent whereas the ionic strength does not influence the rate of reaction. Addition of the reaction product, saccharin, exhibited retarding effect. Various activation parameters have been evaluated. The products of the reactions were identified as the corresponding aldehydes. A suitable scheme of mechanism consistent with the experimental results has been proposed.

  14. A labeling study to elucidate the biosynthesis of 4-(4-hydroxyphenyl)-butan-2-one (raspberry ketone) by Nidula niveo-tomentosa.

    Science.gov (United States)

    Zorn, H; Fischer-Zorn, M; Berger, R G

    2003-01-01

    Submerged cells of the basidiomycete Nidula niveo-tomentosa, a microbial producer of 4-(4-hydroxyphenyl)-butan-2-one, were supplemented with (13)C-labeled L-phenylalanines and with [1-(13)C]glucose. Labeled transformation products were detected by a novel method of analyzing stable isotope-labeled metabolites, gas chromatography (GC) coupled to an atomic emission detector, and by GC-mass spectrometry. A benzoate moiety was side chain elongated according to the poly-beta-keto scheme. The presence of an acetyl coenzyme A-carboxylase inhibitor shifted the spectrum of products to benzyl compounds. Hence, the fungal pathway differs from the one established for plant tissues.

  15. Mg3(VO4)2-MgO-ZrO2 nano-catalysts for oxidative dehydrogenation of n-butane.

    Science.gov (United States)

    Lee, Jong Kwon; Seo, Hyun; Hong, Ung Gi; Yoo, Yeonshick; Cho, Young-Jin; Lee, Jinsuk; Park, Gle; Chang, Hosik; Song, In Kyu

    2014-11-01

    A series of X-Mg3(VO4)2-MgO-ZrO2 nano-catalysts with different vanadium content (X = 3.3, 5.3, 7.0, 10.2, and 13.4) were prepared by a single-step citric acid-derived sol-gel method for use in the oxidative dehydrogenation of n-butane to n-butene and 1,3-butadiene. The effect of vanadium content of X-Mg3(VO4)2-MgO-ZrO2 nano-catalysts on their physicochemical properties and catalytic activities in the oxidative dehydrogenation of n-butane was investigated. Successful formation of X-Mg3(VO4)2-MgO-ZrO2 nano-catalysts was confirmed by XRD, Raman spectroscopy, and ICP-AES analyses. The catalytic performance of X-Mg3(VO4)2-MgO-ZrO2 nano-catalysts strongly depended on vanadium content. All the X-Mg3(VO4)2-MgO-ZrO2 nano-catalysts showed a stable catalytic performance without catalyst deactivation during the reaction. Among the catalysts tested, 7.0-Mg3(VO4)2-MgO-ZrO2 nano-catalyst showed the best catalytic performance in terms of yield for total dehydrogenation products (TDP, n-butene and 1,3-butadiene). TPRO (temperature-programmed reoxidation) experiments were carried out to measure the oxygen capacity of the catalyst. Experimental results revealed that oxygen capacity of the catalyst was closely related to the catalytic performance. Yield for TDP increased with increasing oxygen capacity of the catalyst.

  16. Oxidative dehydrogenation of n-butane over magnesium vanadate nano-catalysts supported on magnesia-zirconia: effect of vanadium content.

    Science.gov (United States)

    Lee, Jong Kwon; Hong, Ung Gi; Yoo, Yeonshick; Cho, Young-Jin; Lee, Jinsuk; Chang, Hosik; Song, In Kyu

    2013-12-01

    Magnesia-zirconia (MgO-ZrO2) support was prepared by a sol-gel method, and magnesium vanadate nano-catalysts supported on magnesia-zirconia (X-Mg3(VO4)2/MgO-ZrO2) were then prepared by a wet impregnation method with a variation of vanadium content (X = 6.6, 9.9, 12.8, 15.2, and 19.1 wt%). X-Mg3(VO4)2/MgO-ZrO2 nano-catalysts were applied to the oxidative dehydrogenation of n-butane to n-butene and 1,3-butadiene. The formation of X-Mg3(VO4)2/MgO-ZrO2 nano-catalysts was well confirmed by XRD, XPS, and ICP-AES analyses. 15.2-Mg3(VO4)2/MgO-ZrO2 and 19.1-Mg3(VO4)2/MgO-ZrO2 catalysts experienced a catalyst deactivation, while the other Mg3(VO4)2/MgO-ZrO2 catalysts showed a stable catalytic performance during the whole reaction time. The effect of oxygen property of X-Mg3(VO4)2/MgO-ZrO2 nano-catalysts on the catalytic performance in the oxidative dehydrogenation of n-butane was investigated. Experimental results revealed that oxygen capacity of the catalyst was closely related to the catalytic performance, while oxygen mobility of the catalyst played an important role in the catalyst stability. Among the catalysts tested, 12.8-Mg3(VO4)2/MgO-ZrO2 catalyst showed the best catalytic performance in terms of yield for TDP (total dehydrogenation products).

  17. Poly[(μ4-biphenyl-3,3′-dicarboxylatobis[μ2-1,1′-(butane-1,4-diyldiimidazole](μ2-oxalatodimanganese(II

    Directory of Open Access Journals (Sweden)

    Bao-Yong Zhu

    2010-10-01

    Full Text Available In the title coordination compound, [Mn2(C14H8O4(C2O4(C10H14N42]n, the biphenyl-3,3′-dicarboxylate and oxalate anions, both situated on inversion centres, function in a bridging mode, linking the dinuclear MnII atoms into wave-like layers. Each 1,1′-(1,4-butane-1,4-diyldiimidazole ligand coordinates to two MnII atoms located in adjacent layers via Mn—N coordination bonds, giving a three-dimensional network. As the methylene groups can bend freely relative to each other due to the C atoms connected via single bonds, the 1,1′-(butane-1,4-diyldiimidazole ligand forms an S-shaped conformation, which makes the void in the three-dimensional network distorted.

  18. Comparison of the binding behavior of several histidine-containing proteins with immobilized copper(II) complexes of 1,4,7-triazacyclononane and 1,4-bis(1,4,7-triazacyclononan-1-yl)butane.

    Science.gov (United States)

    Graham, Bim; Spiccia, Leone; Hearn, Milton T W

    2011-04-15

    The protein binding characteristics of the immobilized binucleating chelate system, 1,4-bis(1,4,7-triazacyclononan-1-yl)butane (tacn(2)butane), complexed with Cu(2+) ions have been investigated with hen egg white lysozyme, horse skeletal muscle myoglobin and horse heart cytochrome C, as well as three histidine-rich proteins, serum albumin, transferrin, and α(2)-macroglobulin, present in partially fractionated human serum. The effects of pH, ionic strength and elution buffers on protein binding have been examined and compared with those of the analogous immobilized mononuclear copper complex of 1,4,7-triazacyclononane (tacn). The Cu(2+)-tacn(2)butane system was generally found to exhibit higher protein binding affinities than the Cu(2+)-tacn system, suggesting that the presence of immobilized binuclear copper(II) species leads to enhanced coordinative interaction with surface-exposed amino acid residues of the studied proteins. However, under some buffer conditions the dependencies of protein binding and elution on pH and ionic strength with these immobilized metal ion affinity chromatographic (IMAC) systems were consistent with electrostatic, hydrophobic and π-bonding interactions playing a significant secondary role in addition to the dominant coordinative interactions. As such, the results indicated that the selectivities were not solely dependent on the histidine content of the protein. In accord with this conclusion, differences in the selectivities of the Cu(2+)-tacn and Cu(2+)-tacn(2)butane adsorbents for serum albumin, transferrin, and α(2)-macroglobulin were observed depending on the choice of elution buffer. This attribute suggests that additional selectivity features can be realised for the separation of specific proteins with this new class of adsorbent. Copyright © 2011. Published by Elsevier B.V.

  19. Density and viscosity of mixtures of nitrobenzene with methanol, ethanol, propan-1-ol, propan-2-ol, butan-1-ol, 2-methylpropan-1-ol, and 2-methylpropan-2-ol at 298.15 and 303.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Nikam, P.S.; Jadhav, M.C.; Hasan, M. [M.S.G. Coll., Malegaon Camp (India). Dept. of Physical Chemistry

    1995-07-01

    Densities and viscosities of mixtures of nitrobenzene with methanol, ethanol, propan-1-ol, propan-2-ol, butan-1-ol, 2-methylpropan-1-ol, and 2-methylpropan-2-ol were measured at 298.15 and 303.15 K. From these measurements, the excess volumes (V{sup E}) and deviation in viscosity ({delta}{eta}) were calculated. These results were fitted to the Redlich-Kister polynomial.

  20. Density and viscosity of mixtures of dimethyl sulfoxide + methanol, + ethanol, + propan-1-ol, + propan-2-ol, + butan-1-ol, + 2-methylpropan-1-ol, and + 2-methylpropan-2-ol at 298.15 K and 303.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Nikam, P.S.; Jadhav, M.C.; Hasan, M. [M.S.G. Coll., Malegaon Camp (India). Dept. of Physical Chemistry

    1996-09-01

    Densities and viscosities have been measured for the binary mixtures of dimethyl sulfoxide + methanol, + ethanol, + propan-1-ol, + propan-2-ol, + butan-1-ol, + 2-methylpropan-1-ol, and + 2-methylpropan-2-ol at 298.15 K and 303.15 K. From these results, the excess molar volume (V{sup E}) and deviation in viscosity ({Delta}{eta}) have been computed. These properties are used to calculate regression coefficients of the Redlich-Kister equation.

  1. Effect of modification methods on the surface properties and n-butane isomerization performance of La/Ni-promoted SO42-/ZrO2-Al2O3

    Science.gov (United States)

    Wang, Pengzhao; Zhang, Jiaoyu; Han, Chaoyi; Yang, Chaohe; Li, Chunyi

    2016-08-01

    The La and/or Ni was introduced into alumina-promoted sulfated zirconia by impregnation and co-precipitation to improve the catalytic property of n-butane isomerization. Catalysts characterization shows that the addition of La/Ni has a remarkable influence on the surface and textual properties depending on the modification method. The impregnation of La/Ni facilitates the transformation of a small amount of tetragonal zirconia into monoclinic phase, while the co-precipitation improves the stability of tetragonal ZrO2. H2-TPR indicates that the addition of La/Ni changes the interaction between SO42- and supports, which affects the acidity on the surface. Specifically, the Lewis acidity is significantly enhanced by either modification method. The co-precipitation reserves almost all of the Brønsted acid sites, while the impregnation causes a remarkable decrease of Brønsted acid sites. Reaction results demonstrate that the co-precipitation exhibits a significant advantage over impregnation that the higher conversion of n-butane and selectivity to isobutane are obtained on the catalyst prepared by co-precipitation. The increase of catalytic activity is ascribed to the accelerated activation rate of n-butane molecules by hydride subtraction on the Lewis acid sites at higher reaction temperature. Furthermore, the addition of La/Ni improves the selectivity to isobutane by inhibiting the bimolecular reaction.

  2. Phase equilibrium at high pressure of heavy oil fraction in propane and n-butane; Equilibrio de fases em alta pressao de fracoes pesadas do petroleo em propano e n-butano

    Energy Technology Data Exchange (ETDEWEB)

    Canziani, Daniel B.; Ndiaye, Papa M. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil); Oliveira, Jose V. de; Corazza, Marcos L. [Universidade Regional Integrada, Erechim, RS (Brazil)

    2008-07-01

    One of the biggest challenge of the oil industry is the preparation and adequacy of existing refineries for processing of heavy oil in large quantities. Specifically aims of this work is to measure phase equilibria date at high-pressure with systems involving GOP (Heavy Gasoil), RAT (Atmospheric Residue) and Marlim (crude oil) in n-butane and propane, using the static-synthetic method. The influence of the addition of methanol on the transition pressure is also investigated. With regard to tests made with the use of methanol as a co-solvent, those with higher levels of methanol (5% in mass fraction) had presented transition pressures a little higher than systems with 1% of methanol and systems without methanol. The systems without methanol showed similar pressures. All systems are PT diagrams of the type Lower Critical Solution Temperature (LCST). Among the solvents used the n-butane shown to be the most soluble for all solutes, in particular for the RAT. With the n-butane were observed only liquid-vapour equilibria, and with propane the liquid-liquid, liquid-liquid-vapour and liquid-liquid-fluid equilibria could be observed. The system Propane-5%Methanol-GOP presented liquid-liquid-vapour transitions, indicates be a diagram of the type V (according to the classification of van Konynenburg and Scott). (author)

  3. Bis(1,10-phenanthroline-κ2N,N′(sulfato-κ2O,O′cobalt(II butane-2,3-diol monosolvate

    Directory of Open Access Journals (Sweden)

    Shi-Juan Wang

    2011-04-01

    Full Text Available In the title compound, [Co(SO4(C12H8N22]·C4H10O2, the Co2+ ion has a distorted octahedral coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate anion. The dihedral angle between the two chelating N2C2 groups is 83.48 (1°. The Co2+ ion, the S atom and the mid-point of the central C—C bond of the butane-2,3-diol solvent molecule are situated on twofold rotation axes. The molecules of the complex and the solvent molecules are held together by pairs of symmetry-related O—H...O hydrogen bonds with the uncoordinated O atoms of the sulfate ions as acceptors. The solvent molecule is disordered over two sets of sites with site occupancies of 0.40 and 0.60.

  4. Preparation of Polyvinyl Alcohol/Xylan Blending Films with 1,2,3,4-Butane Tetracarboxylic Acid as a New Plasticizer

    Directory of Open Access Journals (Sweden)

    Cun-dian Gao

    2014-01-01

    Full Text Available Miscible, biodegradable polyvinyl alcohol (PVA/xylan blending films were firstly prepared in the range of the PVA/xylan weight ratio from 1 : 2 to 3 : 1 by casting method using 1,2,3,4-butane tetracarboxylic acid (BTCA as a new plasticizer. The properties of blending films as functions of PVA/xylan weight ratio and BTCA amount were discussed. XRD and FT-IR were applied to characterize the blending films. Experimental results indicated that tensile strength (TS and elongation at break (EAB of blending films decreased along with the decrease of the PVA/xylan weight ratio. Both of TS and EAB firstly increased and then decreased as the amount of BTCA was increased. More importantly, blending films were biodegraded almost by 41% with an addition of 10% BTCA in blending films within 30 days in soil. For all hydroxyl functionalized polymers (xylan and PVA, their molecular interactions and miscibility with BTCA endowed blending films with the biocompatibility and biodegradability. Therefore, these blending films are environmentally friendly materials which could be applied as biodegradable plastics for food packaging and agricultural applications.

  5. Syntheses and structural characterization of Co(II) and Cd(II) coordination polymers with 1,4-bis(imidazolyl)butane ligand

    Science.gov (United States)

    Lalegani, Arash; Khalaj, Mehdi; Sedaghat, Sajjad; Łyczko, Krzysztof; Lipkowski, Janusz

    2017-11-01

    Two new coordination polymers, {[Co(bib)3](PF6)2}n (1) and [Cd (bib) Cl2]n (2), were prepared at room temperature by the reaction of appropriate salts of cobalt (II) and cadmium (II) with the flexible linker ligands 1,4-bis(imidazolyl) butane (bib). The compounds were characterized by elemental analyses, IR spectroscopy and single crystal X-ray diffraction. In the polymeric structure of 1, the Co(II) ion lies on an inversion centre and adopts the CoN6 octahedral geometry, while in the structure of 2, the Cd(II) ions adopt the CdN2Cl4 pseudo-octahedral geometry. In compound 1, six bib ligands are coordinated to one central cobalt (II) to form an open 3D 2-fold interpenetrating framework of the α-polonium (pcu) type topology, while in compound 2 two bib ligands are coordinated to one central cadmium (II) to form 2D network structure.

  6. Preconcentration and determination of copper and cadmium ions with 1,6-bis(2-carboxy aldehyde phenoxy)butane functionalized Amberlite XAD-16 by flame atomic absorption spectrometry.

    Science.gov (United States)

    Oral, Elif V; Dolak, Ibrahim; Temel, Hamdi; Ziyadanogullari, Berrin

    2011-02-15

    A new chelating resin, covalently linked 1,6-bis(2-carboxy aldehyde phenoxy)butane with the Amberlite XAD-16 was synthesized and used for preconcentration of Cu(II) and Cd(II) prior to their determination by flame atomic absorption spectrometry (FAAS). It was characterized by elemental analyses and Fourier Transform Infrared Spectroscopy (FT-IR). Cu(II) and Cd(II) ions were quantitatively preconcentrated on minicolumn loaded with synthesised resin at pH 4.00 and 6.00, respectively. They were eluated with 5 mL of 0.5 mol L(-1) HCl. Recoveries of Cu(II) and Cd(II) were found to be 100±2.15, 100±1.40 (N=5), the limits of detection of Cu(II) and Cd(II) in the determination by FAAS (3s, N=20) were found to be 0.33 and 1.19 μg L(-1), respectively. The effect of foreign ions on the recovery has been investigated. The proposed method has been applied for the determination of Cu(II) and Cd(II) ions to the real samples collected from Tigris river water in Diyarbakir and Elaziğ cities in Turkey. Standard addition method and analysis of the certified reference material (NCS-DC 73350) was employed to check the accuracy of the method. Copyright © 2010 Elsevier B.V. All rights reserved.

  7. N1-(Quinolin-2-ylmethyl) butane-1, 4-diamine, a polyamine analog: inhibition of platelet aggregation mediated by an elevated VASP, and decreased MAPK phosphorylation.

    Science.gov (United States)

    Gao, Yuan; Ji, Bian-Sheng

    2014-07-01

    The current study intended to examine the signal transduction pathway of N-(quinolin-2-ylmethyl) butane-1, 4-diamine (QMA) in antiplatelet aggregation. Rats were divided randomly into five groups: control group; QMA-treated groups (0.3, 1, and 3 mg/kg); and r-Hirudin-treated group (0.3 mg/kg). Sample groups intravenously injected the corresponding agents once a day for 5 days; control group took 0.9% NaCl in the same way. Ten minutes after the last injection, blood samples were obtained from the rat abdominal aorta. Aggregation ex vivo was tested after irritating platelets by 1.5 U/ml thrombin for 5 min with a platelet aggregometer. Malondialdehyde production, activity of superoxide dismutase and nitric oxide production were determined by the microplate reader. Measurement of [Ca]i was performed using a fluorescence spectrophotometer. Thromboxane A2, cyclic adenosine monophosphate and cyclic guanosine monophosphate levels, vasodilator-stimulated phosphoprotein, and mitogen-activated protein kinase phosphorylation were measured with ELISA kits. Phospholipase C γ2 and protein kinase C were observed by immunoblotting study. QMA inhibited thrombin-induced platelet aggregation ex vivo. QMA significantly elevated superoxide dismutase activity, levels of cyclic adenosine monophosphate, cyclic guanosine monophosphate, nitric oxide, and subsequently promoted vasodilator-stimulated phosphoprotein phosphorylation. Meanwhile, QMA suppressed phospholipase C γ2, protein kinase C and mitogen-activated protein kinase phosphorylation, as well as malondialdehyde, thromboxane A2 formation and [Ca]i mobilization. QMA has a strong antiplatelet potential via its multitarget mechanism.

  8. Interactions of butane, but-2-ene or xylene-like linked bispyridinium para-aldoximes with native and tabun-inhibited human cholinesterases.

    Science.gov (United States)

    Calić, Maja; Bosak, Anita; Kuca, Kamil; Kovarik, Zrinka

    2008-09-25

    Kinetic parameters were evaluated for inhibition of native and reactivation of tabun-inhibited human erythrocyte acetylcholinesterase (AChE, EC 3.1.1.7) and human plasma butyrylcholinesterase (BChE, EC 3.1.1.8) by three bispyridinium para-aldoximes with butane (K074), but-2-ene (K075) or xylene-like linker (K114). Tested aldoximes reversibly inhibited both cholinesterases with the preference for binding to the native AChE. Both cholinesterases showed the highest affinity for K114 (K(i) was 0.01 mM for AChE and 0.06 mM for BChE). The reactivation of tabun-inhibited AChE was efficient by K074 and K075. Their overall reactivation rate constants were around 2000 min(-1)M(-1), which is seven times higher than for the classical bispyridinium para-aldoxime TMB-4. The reactivation of tabun-inhibited AChE assisted by K114 was slow and reached 90% after 20 h. Since the aldoxime binding affinity of tabun-inhibited AChE was similar for all tested aldoximes (and corresponded to their K(i)), the rate of the nucleophilic displacement of the phosphoryl-moiety from the active site serine was the limiting factor for AChE reactivation. On the other hand, none of the aldoximes displayed a significant reactivation of tabun-inhibited BChE. Even after 20 h, the reactivation maximum was 60% for 1 mM K074 and K075, and only 20% for 1 mM K114. However, lower BChE affinities for K074 and K075 compared to AChE suggest that the fast tabun-inhibited AChE reactivation by these compounds would not be obstructed by their interactions with BChE in vivo.

  9. Volumetric Properties of the Mixture 2-Methylpropan-2-ol C4H10O + C4H10O2 Butane-1,3-diol (VMSD1211, LB4541_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture 2-Methylpropan-2-ol C4H10O + C4H10O2 Butane-1,3-diol (VMSD1211, LB4541_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  10. Development of a pre-concentration system and auto-analyzer for dissolved methane, ethane, propane, and butane concentration measurements with a GC-FID

    Science.gov (United States)

    Chepigin, A.; Leonte, M.; Colombo, F.; Kessler, J. D.

    2014-12-01

    Dissolved methane, ethane, propane, and butane concentrations in natural waters are traditionally measured using a headspace equilibration technique and gas chromatograph with flame ionization detector (GC-FID). While a relatively simple technique, headspace equilibration suffers from slow equilibration times and loss of sensitivity due to concentration dilution with the pure gas headspace. Here we present a newly developed pre-concentration system and auto-analyzer for use with a GC-FID. This system decreases the time required for each analysis by eliminating the headspace equilibration time, increases the sensitivity and precision with a rapid pre-concentration step, and minimized operator time with an autoanalyzer. In this method, samples are collected from Niskin bottles in newly developed 1 L plastic sample bags rather than glass vials. Immediately following sample collection, the sample bags are placed in an incubator and individually connected to a multiport sampling valve. Water is pumped automatically from the desired sample bag through a small (6.5 mL) Liqui-Cel® membrane contactor where the dissolved gas is vacuum extracted and directly flushed into the GC sample loop. The gases of interest are preferentially extracted with the Liqui-Cel and thus a natural pre-concentration effect is obtained. Daily method calibration is achieved in the field with a five-point calibration curve that is created by analyzing gas standard-spiked water stored in 5 L gas-impermeable bags. Our system has been shown to substantially pre-concentrate the dissolved gases of interest and produce a highly linear response of peak areas to dissolved gas concentration. The system retains the high accuracy, precision, and wide range of measurable concentrations of the headspace equilibration method while simultaneously increasing the sensitivity due to the pre-concentration step. The time and labor involved in the headspace equilibration method is eliminated and replaced with the

  11. Bipodal surface organometallic complexes with surface N-donor ligands and application to the catalytic cleavage of C-H and C-C bonds in n -Butane

    KAUST Repository

    Bendjeriou-Sedjerari, Anissa

    2013-11-27

    We present a new generation of "true vicinal" functions well-distributed on the inner surface of SBA15: [(Sî - Si-NH 2)(≡Si-OH)] (1) and [(≡Si-NH2)2] (2). From these amine-modified SBA15s, two new well-defined surface organometallic species [(≡Si-NH-)(≡Si-O-)]Zr(CH2tBu) 2 (3) and [(≡Si-NH-)2]Zr(CH2tBu) 2 (4) have been obtained by reaction with Zr(CH2tBu) 4. The surfaces were characterized with 2D multiple-quantum 1H-1H NMR and infrared spectroscopies. Energy-filtered transmission electron microscopy (EFTEM), mass balance, and elemental analysis unambiguously proved that Zr(CH2tBu)4 reacts with these vicinal amine-modified surfaces to give mainly bipodal bis(neopentyl)zirconium complexes (3) and (4), uniformly distributed in the channels of SBA15. (3) and (4) react with hydrogen to give the homologous hydrides (5) and (6). Hydrogenolysis of n-butane catalyzed by these hydrides was carried out at low temperature (100 C) and low pressure (1 atm). While (6) exhibits a bis(silylamido)zirconium bishydride, [(≡Si-NH-)2]Zr(H) 2 (6a) (60%), and a bis(silylamido)silyloxozirconium monohydride, [(≡Si-NH-)2(≡Si-O-)]ZrH (6b) (40%), (5) displays a new surface organometallic complex characterized by an 1H NMR signal at 14.46 ppm. The latter is assigned to a (silylimido)(silyloxo)zirconium monohydride, [(≡Si-Nî)(≡Si-O-)]ZrH (5b) (30%), coexistent with a (silylamido)(silyloxo)zirconium bishydride, [(≡Si-NH-)(≡Si-O-)] Zr(H)2 (5a) (45%), and a silylamidobis(silyloxo)zirconium monohydride, [(≡Si-NH-)(≡Si-O-)2]ZrH (5c) (25%). Surprisingly, nitrogen surface ligands possess catalytic properties already encountered with silicon oxide surfaces, but interestingly, catalyst (5) with chelating [N,O] shows better activity than (6) with chelating [N,N]. © 2013 American Chemical Society.

  12. Validated method for the determination of propane-1,2-diol, butane-2,3-diol, and propane-1,3-diol in cheese and bacterial cultures using phenylboronic esterification and GC-MS.

    Science.gov (United States)

    Badertscher, René; Freiburghaus, Carola; Wechsler, Daniel; Irmler, Stefan

    2017-09-01

    A simple, fast, sensitive, and robust gas chromatography-mass spectrometry (GC-MS) method for the simultaneous determination of propane-1,2-diol, butane-2,3-diol, and propane-1,3-diol in cheese and bacterial cultures was developed. Target analytes were extracted and transformed into their phenylboronic esters prior to analysis. The method showed good sensitivity, without carryover between the samples. The detection limits for propane-1,2-diol, butane-2,3-diol, and propane-1,3-diol in cheese samples were 0.26, 0.02, and 0.11mgkg-1, respectively, and for bacterial culture samples were 1.32, 0.09, and 0.54mgkg-1, respectively. The Horwitz ratio showed good precision for all analytes (cheese for all analytes was very broad, from 0 to 1000mgkg-1, and in bacterial cultures was from 0 to 5000mgkg-1 with R2>0.9991. The results confirm excellent applicability of the proposed method for the determination of the target metabolites in cheese and bacterial culture samples. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5‧-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid

    Science.gov (United States)

    Gao, Yan-Peng; Guo, Le; Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong; Chang, Fei

    2016-08-01

    Three new mixed-ligand metal-organic frameworks based on 5,5‧-(butane-1,4- diyl)-bis(oxy)-diisophthalic acid and transitional metal cations with the help of two ancillary bridging N-donor pyridyl and imidazole linkers, [Zn(L)0.5(4,4‧-bpy)]·2(H2O) (1), [M(L)0.5(bib)]·4(H2O) (M = Zn (2), Co (3)), (4,4‧-bpy=4,4‧-bipyridine, bib=1,4-bis (1H-imidazol-1-yl)-butane), have been synthesized under solvothermal conditions. Their structures and properties were determined by single-crystal and powder X-ray diffraction analyses, IR spectra, elemental analyses and thermogravimetric analyses (TGA). Compounds 1-3 display a 3D 3-fold interpenetrated frameworks linked by the L4- ligands, ancillary N-donor linkers and the free water molecules in the crystal lattice. Topological analysis reveals that 1-3 are a (4,4)-connected bbf topology net with the (64·82)(66) topology. The effects of the L4- anions, the N-donor ligands, and the metal ions on the structures of the coordination polymers have been discussed. Furthermore, luminescence properties and thermogravimetric properties of these compounds were investigated.

  14. Oxidative dehydrogenation of n-butane over vanadium magnesium oxide catalysts supported on nano-structured MgO and ZrO2: effect of oxygen capacity of the catalyst.

    Science.gov (United States)

    Lee, Howon; Lee, Jong Kwon; Hong, Ung Gi; Song, In Kyu; Yoo, Yeonshick; Cho, Young-Jin; Lee, Jinsuk; Chang, Hosik; Jung, Ji Chul

    2012-07-01

    Vanadium-magnesium oxide catalysts supported on nano-structured MgO and ZrO2 (Mg3(VO4)2/MgO/ZrO2) were prepared by a wet impregnation method with a variation of Mg:Zr ratio (8:1, 4:1, 2:1, and 1:1). For comparison, Mg3(VO4)2/MgO and Mg3(VO4)2/ZrO2 catalysts were also prepared by a wet impregnation method. The prepared catalysts were applied to the oxidative dehydrogenation of n-butane in a continuous flow fixed-bed reactor. Mg3(VO4)2/MgO/ZrO2 (Mg:Zr = 4:1, 2:1, and 1:1) and Mg3(VO4)2/ZrO2 catalysts showed a stable catalytic activity during the whole reaction time, while Mg3(VO4)2/MgO/ZrO2 (8:1) and Mg3(VO4)2/MgO catalysts experienced a severe catalyst deactivation. Deactivation of Mg3(VO4)2/MgO/ZrO2 (8:1) and Mg3(VO4)2/MgO catalysts was due to their low oxygen mobility. Effect of oxygen capacity (the amount of oxygen in the catalyst involved in the reaction) of the supported Mg3(V04)2 catalysts on the catalytic performance in the oxidative dehydrogenation of n-butane was investigated. Experimental results revealed that oxygen capacity of the catalyst was closely related to the catalytic activity in the oxidative dehydrogenation of n-butane. A large oxygen capacity of the catalyst was favorable for obtaining a high catalytic activity in this reaction. Among the catalysts tested, Mg3(VO4)2/MgO/ZrO2 (4:1) catalyst with the largest oxygen capacity showed the best catalytic performance.

  15. Role of the reaction intermediates in determining PHIP (parahydrogen induced polarization) effect in the hydrogenation of acetylene dicarboxylic acid with the complex [Rh (dppb)]+ (dppb: 1,4-bis(diphenylphosphino)butane).

    Science.gov (United States)

    Reineri, F; Aime, S; Gobetto, R; Nervi, C

    2014-03-07

    This study deals with the parahydrogenation of the symmetric substrate acetylene dicarboxylic acid catalyzed by a Rh(I) complex bearing the chelating diphosphine dppb (1,4-bis(diphenylphosphino)butane). The two magnetically equivalent protons of the product yield a hyperpolarized emission signal in the (1)H-NMR spectrum. Their polarization intensity varies upon changing the reaction solvent from methanol to acetone. A detailed analysis of the hydrogenation pathway is carried out by means of density functional theory calculations to assess the structure of hydrogenation intermediates and their stability in the two solvents. The observed polarization effects have been accounted on the basis of the obtained structures. Insights into the lifetime of a short-lived reaction intermediate are also obtained.

  16. catena-Poly[[[aquasilver(I]-μ-1,1′-(butane-1,4-diyldi-1H-imidazole-κ2N3:N3′] hemi(biphenyl-4,4′-dicarboxylate dihydrate

    Directory of Open Access Journals (Sweden)

    Zheyu Zhang

    2009-12-01

    Full Text Available In the title compound, {[Ag(C10H14N4(H2O](C14H8O40.5·2H2O}n, the AgI ion is three-coordinated by two N atoms from two independent 1,1′-(butane-1,4-diyldi-1H-imidazole (BBI ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4′-dicarboxylate (BPDC dianions do not coordinate to AgI ions but act as counter-ions. The AgI ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supramolecular architecture by O—H...O hydrogen-bonding interactions between water molecules and carboxylate O atoms of the BPDC dianions.

  17. Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Yan-Peng [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Guo, Le [Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Chang, Fei, E-mail: ndchfei@imu.edu.cn [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China)

    2016-08-15

    Three new mixed-ligand metal-organic frameworks based on 5,5′-(butane-1,4- diyl)-bis(oxy)-diisophthalic acid and transitional metal cations with the help of two ancillary bridging N-donor pyridyl and imidazole linkers, [Zn(L){sub 0.5}(4,4′-bpy)]·2(H{sub 2}O) (1), [M(L){sub 0.5}(bib)]·4(H{sub 2}O) (M = Zn (2), Co (3)), (4,4′-bpy=4,4′–bipyridine, bib=1,4-bis (1H-imidazol-1-yl)-butane), have been synthesized under solvothermal conditions. Their structures and properties were determined by single-crystal and powder X-ray diffraction analyses, IR spectra, elemental analyses and thermogravimetric analyses (TGA). Compounds 1–3 display a 3D 3-fold interpenetrated frameworks linked by the L{sup 4−} ligands, ancillary N-donor linkers and the free water molecules in the crystal lattice. Topological analysis reveals that 1–3 are a (4,4)-connected bbf topology net with the (6{sup 4}·8{sup 2})(6{sup 6}) topology. The effects of the L{sup 4−} anions, the N-donor ligands, and the metal ions on the structures of the coordination polymers have been discussed. Furthermore, luminescence properties and thermogravimetric properties of these compounds were investigated. - Graphical abstract: Three new compounds of MOFs have been prepared and characterized. The luminescence properties and thermogravimetric properties of compounds were investigated. Display Omitted.

  18. In-vitro cytotoxicity and cell cycle analysis of two novel bis-1,2, 4-triazole derivatives: 1,4-bis[5-(5-mercapto-1,3,4-oxadiazol-2-yl-methyl)-thio-4-(p-tolyl)-1,2,4-triazol-3-yl]-butane (MNP-14) and 1,4-bis[5-(carbethoxy-methyl)-thio-4-(p-ethoxy phenyl)-1,2,4-triazol-3-yl]-butane (MNP-16).

    Science.gov (United States)

    Purohit, Madhusudan N; Panjamurthy, Kuppusamy; Elango, Santhini; Hebbar, Karteek; Mayur, Yergeri C; Raghavan, Sathees C

    2011-11-01

    In the present study, we have tested the cytotoxic and DNA damage activity of two novel bis-1,2,4 triazole derivatives, namely 1,4-bis[5-(5-mercapto-1,3,4-oxadiazol-2-yl-methyl)-thio-4-(p-tolyl)-1,2,4-triazol-3-yl]-butane (MNP-14) and 1,4-bis[5-(carbethoxy-methyl)-thio-4-(p-ethoxy phenyl) -1,2,4-triazol-3-yl]-butane (MNP-16). The effect of these molecules on cellular apoptosis was also determined. The in-vitro cytotoxicity was evaluated by a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) assay as well as Trypan blue dye exclusion methods against human acute lymphoblastic leukemia (MOLT4) and lung cancer cells (A549). Our results showed that MNP-16 induced significant cytotoxicity (IC(50) of 3-5 μM) compared with MNP-14. The cytotoxicity induced by MNP-16 was time and concentration dependent. The cell cycle analysis by flow cytometry (fluorescence-activated cell sorting [FACS]) revealed that though there was a significant increase in the apoptotic population (sub-G(1) phase) with an increased concentration of MNP-14 and 16, there was no cell cycle arrest. Further, the comet assay results indicated considerable DNA strand breaks upon exposure to these compounds, thereby suggesting the possible mechanism of cytotoxicity induced by MNP-16. Hence, we have identified a novel molecule (MNP-16) which could be of great clinical relevance in cancer therapeutics.

  19. Incineration of oxygenated volatile organic compounds. Experimental study and kinetic modeling of the oxidation of methyl ethyl ketone, ethyl acetate and butan-2-ol in methane flames; Incineration de composes organiques volatils oxygenes. Etude experimentale et modelisation cinetique de l'oxydation de la methyl ethyl cetone, de l'acetate d'ethyle et du butan-2-ol dans des flammes de methane

    Energy Technology Data Exchange (ETDEWEB)

    Decottignies, V.

    2000-12-01

    This work deals with the low pressure (0.05 atm) degradation of three volatile organic compounds (VOCs): methyl-ethyl-ketone, ethyl acetate and butan-2-ol, in premixed stoichiometric laminar methane flames seeded with 1 to 3% of each VOC. Molar fraction profiles of species have been obtained using microprobe sampling coupled with a gas chromatography and a mass spectroscopy analysis. Temperature profiles have been obtained using the covered thermocouple technique in the presence of the microprobe. The addition of a VOC in the initial reagents mixture leads to an increase of the quantity of intermediate hydrocarbon compounds and in particular of some soot precursor species. The degradation of VOCs leads to the formation of oxygenated intermediates like methanol, dimethyl-ether, acetaldehyde, propanal, acetone and vinyl acetate, the type of VOC having an effect on the quantities produced. The degradation of a VOC can lead to the formation of more toxic or polluting compounds (methyl vinyl ketone, acetic acid and acrolein) than the VOC itself. In the conditions of the study, the intermediate compounds are totally destructed inside the reactional area of the flame front and are no more present in the burnt gases. Sub-mechanisms of VOC oxidation have been developed using experimental observations and the most recent recommendations of the literature. These sub-mechanisms comprise 49 species involved in 241 elementary reactions. Their validation has been performed by comparing the experiment with the kinetic modeling on the molar fraction profiles of the detected species. Experimental data are well reproduced by the model for most species. The addition of a VOC inside the initial reagents mixture creates an important reactivity increase, in particular in the case of butan-2-ol seeded flames. The analysis of reactional ways has permitted to draw out the main reactions responsible for the degradation of the 3 VOCs and the ways of formation and consumption of the

  20. Theoretical study and design of a low-grade heat-driven pilot ejector refrigeration machine operating with butane and isobutane and intended for cooling of gas transported in a gas-main pipeline

    KAUST Repository

    Petrenko, V.O.

    2011-11-01

    This paper describes the construction and performance of a novel combined system intended for natural gas transportation and power production, and for cooling of gas transported in a gas-main pipeline. The proposed system includes a gas turbine compressor, a combined electrogenerating plant and an ejector refrigeration unit operating with a hydrocarbon refrigerant. The combined electrogenerating plant consists of a high-temperature steam-power cycle and a low-temperature hydrocarbon vapor power cycle, which together comprise a binary vapor system. The combined system is designed for the highest possible effectiveness of power generation and could find wide application in gas-transmission systems of gas-main pipelines. Application of the proposed system would enable year-round power generation and provide cooling of natural gas during periods of high ambient temperature operation. This paper presents the main results of a theoretical study and design performance specifications of a low-grade heat-driven pilot ejector refrigeration machine operating with butane and isobutane. © 2010 Elsevier Ltd and IIR. All rights reserved.

  1. Determination of γ-hydroxybutyrate (GHB), β-hydroxybutyrate (BHB), pregabalin, 1,4-butane-diol (1,4BD) and γ-butyrolactone (GBL) in whole blood and urine samples by UPLC-MSMS.

    Science.gov (United States)

    Dahl, Sandra Rinne; Olsen, Kirsten Midtbøen; Strand, Dag Helge

    2012-02-15

    The demand of high throughput methods for the determination of gamma-hydroxybutyrate (GHB) and its precursors gamma-butyrolactone (GBL) and 1,4-butane-diol (1,4BD) as well as for pregabalin is increasing. Here we present two analytical methods using ultra-high pressure liquid chromatography (UPLC) and tandem mass spectrometric (MS/MS) detection for the determination of GHB, beta-hydroxybutyrate (BHB), pregabalin, 1,4BD and GBL in whole blood and urine. Using the 96-well formate, the whole blood method is a simple high-throughput method suitable for screening of large sample amounts. With an easy sample preparation for urine including only dilution and filtration of the sample, the method is suitable for fast screening of urine samples. Both methods showed acceptable linearity, acceptable limits of detection, and limits of quantification. The within-day and between-day precisions of all analytes were lower than 10% RSD. The analytes were extracted from matrices with recoveries near 100%, and no major matrix effects were observed. Both methods have been used as routine screening analyses of whole blood and urine samples since January 2010. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Application of 4,4,4-Trifluoro-1-(Biphenyl-4-yl)Butane-1,3-Dione as a Chelating Extractant in the Solvent Extraction and Separation of Light Lanthanoids in Combination with Phosphine Oxides.

    Science.gov (United States)

    Atanassova, Maria; Kaloyanova, Stefka; Deligeorgiev, Todor

    2010-12-01

    The 4,4,4-trifluoro-1-(biphenyl-4-yl)butane-1,3-dione(HL) has been synthesized and its complexation properties in solution was examined. Mixed ligand chelate extraction of light trivalent lanthanoids (La÷Gd) from chloride medium at constant ionic strength µ = 0.1 into C6H6 with HL in combination with one of the three phosphine oxide compounds trioctylphosphine oxide(TOPO), tributylphosphine oxide(TBPO) or triphenyphosphine oxide(TPPO) was studied. The composition of the extracted species was established as LnL3 with HL alone and as LnL3 2S in the presence of TOPO and TBPO or LnL3 S with the mixture of HL-TPPO. The 28 values of the overall equilibrium constants were calculated. A synergic effect up to 103-104 was observed for the extraction of the above-mentioned lanthanoid ions with binary mixtures of extractants. The change of the synergistic agent causes a significant increase of the KL,S values in the order TBPO < TPPO < TOPO. The parameters of the extraction process were determined and the separation factors between two adjacent Ln(III) were calculated.

  3. Poly[[[μ2-1,1′-(butane-1,4-diyl)bis(1H-imidazole)-κ2N3:N3′](μ2-2,6-dimethylpyridine-3,5-dicarboxylato-κ2O3:O5)zinc] dihydrate

    OpenAIRE

    Cheng Wang; Zheng-Hao Zhu; Lei Qian; Yu-Mei Yue; Ting Gao

    2011-01-01

    In the title coordination polymer, {[Zn(C9H7NO4)(C10H14N4)]·2H2O}n, the ZnII ion displays a distorted tetrahedral geometry with two imidazole N atoms from two 1,1′-(butane-1,4-diyl)bis(imidazole) (bbi) ligands and two carboxylate O atoms from two 2,6-dimethylpyridine-3,5-dicarboxylate (dpdc) ligands. The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011). O—H...O and O—H...N hydrogen bonds and π–π inte...

  4. C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

    KAUST Repository

    Pasha, Farhan Ahmad

    2014-07-01

    Density functional theory (DFT) was used to elucidate the mechanism of n-butane hydrogenolysis (into propane, ethane, and methane) on well-defined zirconium hydrides supported on SBA15 coordinated to the surface via N-donor surface pincer ligands: [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage. The dihydride A linked via a chelating [N,O] surface ligand was found to be more active than B, linked to the chelating [N,N] surface ligand. Moreover, the dihydride zirconium complexes are also more active than their corresponding monohydrides C-F. The C-C cleavage step occurs preferentially via β-alkyl transfer, which is the rate-limiting step in the alkane hydrogenolysis. The energetics of the comparative pathways over the potential energy surface diagram (PES) reveals the hydrogenolysis of n-butane into propane and ethane. © 2014 American Chemical Society.

  5. Poly[[[μ2-1,1′-(butane-1,4-diylbis(1H-imidazole-κ2N3:N3′](μ2-2,6-dimethylpyridine-3,5-dicarboxylato-κ2O3:O5zinc] dihydrate

    Directory of Open Access Journals (Sweden)

    Cheng Wang

    2011-10-01

    Full Text Available In the title coordination polymer, {[Zn(C9H7NO4(C10H14N4]·2H2O}n, the ZnII ion displays a distorted tetrahedral geometry with two imidazole N atoms from two 1,1′-(butane-1,4-diylbis(imidazole (bbi ligands and two carboxylate O atoms from two 2,6-dimethylpyridine-3,5-dicarboxylate (dpdc ligands. The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011. O—H...O and O—H...N hydrogen bonds and π–π interactions between the imidazole rings [centroid–centroid distance = 3.807 (5 Å] connect the layers. Two of the three uncoordinated water molecules are disordered, each over two 0.25-occupancy positions.

  6. Poly[[[μ(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-κN:N](μ(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-κO:O)zinc] dihydrate].

    Science.gov (United States)

    Yue, Yu-Mei; Qian, Lei; Zhu, Zheng-Hao; Wang, Cheng; Gao, Ting

    2011-10-01

    In the title coordination polymer, {[Zn(C(9)H(7)NO(4))(C(10)H(14)N(4))]·2H(2)O}(n), the Zn(II) ion displays a distorted tetra-hedral geometry with two imidazole N atoms from two 1,1'-(butane-1,4-di-yl)bis-(imidazole) (bbi) ligands and two carboxyl-ate O atoms from two 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (dpdc) ligands. The bbi and dpdc ligands bridge the Zn(II) ions, forming layers parallel to (011). O-H⋯O and O-H⋯N hydrogen bonds and π-π inter-actions between the imidazole rings [centroid-centroid distance = 3.807 (5) Å] connect the layers. Two of the three uncoordinated water mol-ecules are disordered, each over two 0.25-occupancy positions.

  7. Poly[[μ2-2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole-κ2N3:N3′](μ2-5-hydroxyisophthalato-κ2O1:O3zinc

    Directory of Open Access Journals (Sweden)

    Ying-Ying Liu

    2011-11-01

    Full Text Available In the title coordination polymer, [Zn(C8H4O5(C14H22N4]n, the ZnII cation is coordinated by an O2N2 donor set in a distorted tetrahedral geometry. The ZnII ions are linked by μ2-OH-bdc (OH-H2bdc = 5-hydroxyisophthalic acid and bbie ligands [bbie = 2,2′-diethyl-1,1′-(butane-1,4-diyldiimidazole], forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C—H...O and O—H...O hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31.

  8. Crystal structure of poly[[μ-1,1′-(butane-1,4-diylbis(1H-benzimidazole-κ2N3:N3′]{μ-4,4′-[1,4-phenylenebis(oxy]dibenzoato-κ4O,O′:O′′,O′′′}cobalt(II

    Directory of Open Access Journals (Sweden)

    Chen Xie

    2015-06-01

    Full Text Available In the title compound, [Co(C20H12O6(C18H18N4]n, the CoII atom, located on a twofold rotation axis, is hexacoordinated to four O from two bis-bidentate 4,4′-[phenylenebis(oxy]dibenzoate (L ligands and two N atoms from two 1,1′-(butane-1,4-diylbis(1H-benzimidazole (bbbm ligands, forming a distorted octahedral cis-N2O4 coordination environment. Polymeric zigzag chains along [102] are built up by the bridging L ligands. These chains are additionally connected by the bbbm ligands to produce a two-dimensional coordination polymer parallel too (010.

  9. (2R)-4-Oxo-4[3-(Trifluoromethyl)-5,6-diihydro:1,2,4}triazolo[4,3-a}pyrazin-7(8H)-y1]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, D.; Wang, L.; Beconi, M.; Eiermann, G.; Fisher, M.; He, H.; Hickey, G.; Kowalchick, Jennifer; Leiting, Barbara; Lyons, K.; Marsilio, F.; McCann, F.; Patel, R.; Petrov, A.; Scapin, G.; Patel, S.; Roy, R.; Wu, J.; Wyvratt, M.; Zhang, B.; Zhu, L.; Thornberry, N.; Weber, A. (Merck)

    2010-11-10

    A novel series of {beta}-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes. (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally active DPP-IV inhibitor (IC{sub 50} = 18 nM) with excellent selectivity over other proline-selective peptidases, oral bioavailability in preclinical species, and in vivo efficacy in animal models. MK-0431, the phosphate salt of compound 1, was selected for development as a potential new treatment for type 2 diabetes.

  10. DIVERSITY IN BUTANE MONOOXYGENASES AMONG BUTANE-GROWN BACTERIA. (R825689C019)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  11. Poly[[[μ2-1,1′-(butane-1,4-di­yl)bis­(1H-imidazole)-κ2 N 3:N 3′](μ2-2,6-di­methyl­pyridine-3,5-dicarboxyl­ato-κ2 O 3:O 5)zinc] dihydrate

    Science.gov (United States)

    Yue, Yu-Mei; Qian, Lei; Zhu, Zheng-Hao; Wang, Cheng; Gao, Ting

    2011-01-01

    In the title coordination polymer, {[Zn(C9H7NO4)(C10H14N4)]·2H2O}n, the ZnII ion displays a distorted tetra­hedral geometry with two imidazole N atoms from two 1,1′-(butane-1,4-di­yl)bis­(imidazole) (bbi) ligands and two carboxyl­ate O atoms from two 2,6-dimethyl­pyridine-3,5-dicarboxyl­ate (dpdc) ligands. The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011). O—H⋯O and O—H⋯N hydrogen bonds and π–π inter­actions between the imidazole rings [centroid–centroid distance = 3.807 (5) Å] connect the layers. Two of the three uncoordinated water mol­ecules are disordered, each over two 0.25-occupancy positions. PMID:22058724

  12. Investigation of structure-activity relationship between chemical structure and CCR5 anti HIV-1 activity in a class of 1-[N-(Methyl)-N- (phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted)piperidin-1-yl]butane derivatives: the electronic-topological approach.

    Science.gov (United States)

    Saracoglu, Murat; Kandemirli, Sedat Giray; Başaran, Murat Alper; Sayiner, Hakan; Kandemirli, Fatma

    2011-07-01

    The relationship between chemical structure and CCR5 anti HIV-1 activity was investigated in the series of 1-[N-(Methyl)-N-(phenylsulfonyl)amino]-2-(phenyl)-4-[4-(substituted) piperidin-1-yl]butanes derivatives including 114 molecules by using the Electron-Topological Method (ETM). In the frameworks of this approach, its input data were taken as the results of conformational and quantum-mechanical calculations. Conformational analysis and quantum-chemical calculations were carried out for each molecule. Then molecular fragments being specific for active molecules and non-active molecules were revealed by using ETM. The result of testing showed the high ability of ETM in predicting the activity and inactivity investigated series. In order to classify and to develop a model for those molecules, cluster and discriminant analyses are conducted. First, cluster analysis is implemented in order to classify similar molecules into the groups. Then, discriminant analysis is used to construct models including descriptors. By doing so, two obtained discriminant functions segregate those molecules into three different groups by using the descriptors called EHOMO, Dipole Moment and SEZPE.

  13. Butane-1,2,3,4-tetraol-based amphiphilic stereoisomers for membrane protein study: importance of chirality in the linker region† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc02981g Click here for additional data file.

    Science.gov (United States)

    Das, Manabendra; Du, Yang; Mortensen, Jonas S.; Ribeiro, Orquidea; Hariharan, Parameswaran; Guan, Lan; Loland, Claus J.; Kobilka, Brian K.; Byrne, Bernadette

    2017-01-01

    Amphiphile selection is a crucial step in membrane protein structural and functional study. As conventional detergents have limited scope and utility, novel agents with enhanced efficacy need to be developed. Although a large number of novel agents have been reported, so far there has been no systematically designed comparative study of the protein stabilization efficacy of stereo-isomeric amphiphiles. Here we designed and prepared a novel class of stereo-isomeric amphiphiles, designated butane-1,2,3,4-tetraol-based maltosides (BTMs). These stereoisomers showed markedly different behaviour for most of the targeted membrane proteins depending on the chirality of the linker region. These findings indicate an important role for detergent stereochemistry in membrane protein stabilization. In addition, we generally observed enhanced detergent efficacy with increasing alkyl chain length, reinforcing the importance of the balance between hydrophobicity and hydrophilicity in detergent design. The stereo-isomeric difference in detergent efficacy observed provides an important design principle for the development of novel amphiphiles for membrane protein manipulation. PMID:28451257

  14. French Committee of Butane and Propane. 2006 activity report; Comite francais du butane et du propane. Rapport d'activite 2006

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    This document presents the 2006 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - share of LPG fuels in the French energy mix; 3 - improvement of energy efficiency in the residential sector; 4 - advantages of LPG fuels; 5 - safety aspects. (J.S.)

  15. French Committee of Butane and Propane. 2005 activity report; Comite francais du butane et du propane. Rapport d'activite 2005

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    This document presents the 2005 highlights of the French LPG fuels industry: 1 - presentation of the CFBP association and promotion of the LPG industry; 2 - information about the LPG fuels advantages; 3 - LPG market; 4 - CFBP's commitments for end-users, professionals and public authorities: energy efficiency improvement, environment protection, energy supply of French rural towns, safety improvements. (J.S.)

  16. A 10-watt CW photodissociation laser with IODO perfluoro-tert-butane

    Science.gov (United States)

    Tabibi, Bagher; Venable, Demetrius D.

    1989-01-01

    NASA has been investigating the feasibility of direct solar-pumped laser systems for power beaming in space. Among the various gas, liquid, and solid laser systems being proposed as candidates for solar-pumped lasers, the iodine photodissociation gas laser has demonstrated its potential for space application. Of immediate attention is the determination of system requirements and the choice of lasants to improve the system efficiency. The development of an efficient iodine laser depends on the availability of a suitable iodide which has favorable laser kinetics, chemically reversibility, and solar energy utilization. Among the various alkyliodide lasants comparatively tested in a long-pulse system, perfluoro- tert-butyl iodide, T-C4F9I, was found to be the best. However, the operating conditions for the laser medium in a continuously pumped and continuous-flow iodine laser differ considerably from those in the pulsed regime. The results of the continuous wave (CW)) laser performance from t-C4F9I are reported. Perfluoro- n-propyl iodide, n-C3F7I is used for comparison because of its universal use in photodissociation iodine lasers.

  17. DICHLOROETHYLENES AS SUBSTRATES AND INDUCERS OF BUTANE MONOOXYGENASE IN PSEUDOMONAS BUTANOVORA. (R828772)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  18. TCE DEGRADATION BY BUTANE-OXIDIZING BACTERIA CAUSES A SPECTRUM OF TOXIC EFFECTS. (R828772)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  19. ATMOSPHERIC OXIDATION MECHANISM OF N-BUTANE: THE FATE OF ALKOXY RADICALS. (R824970)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  20. CHLORINATED SOLVENT COMETABOLISM BY BUTANE-GROWN MIXED CULTURE. (R825689C019)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  1. Butane-1,4-diaminium bis[3,4,5,6-tetrachloro-2-(methoxycarbonylbenzoate

    Directory of Open Access Journals (Sweden)

    Zu Pei Liang

    2011-06-01

    Full Text Available In the title salt, C4H14N2+·2C9H3Cl4O4−, the cation lies on an inversion center. In the anion, the mean planes of methoxycarbonyl and carboxylate groups form dihedral angles of 64.9 (3 and 58.5 (3°, respectively, with the benzene ring. In the crystal, intermolecular N—H...O hydrogen bonds connect the components into sheets parallel to (100.

  2. A case of butane hash oil (marijuana wax)-induced psychosis.

    Science.gov (United States)

    Keller, Corey J; Chen, Evan C; Brodsky, Kimberly; Yoon, Jong H

    2016-01-01

    Marijuana is one of the most widely used controlled substances in the United States. Despite extensive research on smoked marijuana, little is known regarding the potential psychotropic effects of marijuana "wax," a high-potency form of marijuana that is gaining in popularity. The authors present a case of "Mr. B," a 34-year-old veteran who presented with profound psychosis in the setting of recent initiation of heavy, daily marijuana wax use. He exhibited incoherent speech and odd behaviors and appeared to be in a dream-like state with perseverating thoughts about his combat experience. His condition persisted despite treatment with risperidone 4 mg twice a day (BID), but improved dramatically on day 8 of hospitalization with the return of baseline mental function. Following discharge, Mr. B discontinued all marijuana use and did not exhibit the return of any psychotic symptoms. This study highlights the need for future research regarding the potential medical and psychiatric effects of new, high-potency forms of marijuana. Could cannabis have a dose-dependent impact on psychosis? What other potential psychiatric effects could emerge heretofore unseen in lower potency formulations? Given the recent legalization of marijuana, these questions merit timely exploration.

  3. The Flow of Butane and Isobutene Vapors Near Saturation Through Porous Vycor Glass Membranes

    Czech Academy of Sciences Publication Activity Database

    Loimer, T.; Uchytil, Petr; Petričkovič, Roman; Setničková, Kateřina

    2011-01-01

    Roč. 383, 1-2 (2011), s. 104-115 ISSN 0376-7388 R&D Projects: GA ČR GA104/09/1165; GA ČR GCP106/10/J038; GA MŠk ME 889 Grant - others:AIMC GmbH(AT) AES:09/2006 Institutional research plan: CEZ:AV0Z40720504 Keywords : transport process es * porous media * inorganic membranes Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.850, year: 2011

  4. 2,2′-{1,1′-[Butane-1,4-diylbis(oxynitrilo]diethylidyne}di-1-naphthol

    Directory of Open Access Journals (Sweden)

    Wen-Kui Dong

    2009-06-01

    Full Text Available The title compound, C28H28N2O4, was synthesized by the reaction of 2-acetyl-1-naphthol with 1,4-bis(aminooxybutane in ethanol. The molecule, which lies about an inversion centre, adopts a linear structure, in which the oxime groups and naphthalene ring systems assume an anti conformation. The intramolecular interplanar distance between parallel naphthalene rings is 1.054 (3 Å. Intramolecular O—H...N hydrogen bonds are formed between the oxime nitrogen and hydroxy groups.

  5. 5,5′-Bis(diethylamino-2,2′-[butane-1,4-diyldioxybis(nitrilomethylidyne]diphenol

    Directory of Open Access Journals (Sweden)

    Wen-Kui Dong

    2008-04-01

    Full Text Available The title complex, C26H38N4O4, was synthesized by the reaction of 4-diethylamino-2-hydroxybenzaldehyde with 1,4-bis(aminooxybutane in ethanol. It crystallizes as discrete centrosymmetric molecules adopting an extended conformation where the two salicylaldoxime groups are separated from each other. Intramolecular O—H...N hydrogen bonding is observed between the hydroxy groups and oxime N atoms. Intermolecular π–π stacking interactions [3.979 (2 Å] between aromatic rings are apparent in the crystal structure. Each ethyl group is disordered over two positions; in one the site occupancy factors are 0.55 and 0.45, in the other 0.53 and 0.47.

  6. 4,4′-Dimethoxy-2,2′-[(butane-1,4-diyldioxybis(nitrilomethylidyne]diphenol

    Directory of Open Access Journals (Sweden)

    Yin-Xia Sun

    2010-11-01

    Full Text Available The title Schiff base bisoxime compound, C20H24N2O6, lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the molecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77 (2°. An intramolecular O—H...N hydrogen bond forms a six-membered ring with an S(6 motif. Weak intermolecular C—H...O hydrogen bonding is present in the crystal structure.

  7. Experimental and theoretical study of hydrogen atom abstraction from n-butane by lanthanum oxide cluster anions.

    Science.gov (United States)

    Xu, Bo; Zhao, Yan-Xia; Li, Xiao-Na; Ding, Xun-Lei; He, Sheng-Gui

    2011-09-22

    Lanthanum oxide cluster anions are prepared by laser ablation and reacted with n-C(4)H(10) in a fast flow reactor. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. (La(2)O(3))(m=1-3)OH(-) and La(3)O(7)H(-) are observed as products, which suggests the occurrence of hydrogen atom abstraction reactions: (La(2)O(3))(m=1-3)O(-) + n-C(4)H(10) → (La(2)O(3))(m=1-3)OH(-) + C(4)H(9) and La(3)O(7)(-) + n-C(4)H(10) → La(3)O(7)H(-) + C(4)H(9). Density functional theory (DFT) calculations are performed to study the structures and bonding properties of La(2)O(4)(-), La(3)O(7)(-), and La(4)O(7)(-) clusters. The calculated results show that each of La(2)O(4)(-) and La(4)O(7)(-) contains one oxygen-centered radical (O(-•)) which is responsible for the high reactivity toward n-C(4)H(10). La(3)O(7)(-) contains one oxygen-centered radical (O(-•)) and one superoxide unit (O(2)(-•)), and the O(-•) is responsible for its high reactivity toward n-C(4)H(10). The O(-•) and O(2)(-•) can be considered to be generated by the adsorption of an O(2) molecule onto the singlet La(3)O(5)(-) with electron transfer from a terminally bonded oxygen ion (O(2-)) to the O(2). This may help us understand the mechanism of the formation of O(-•) and O(2)(-•) radicals in lanthanum oxide systems. The reaction mechanisms of La(2)O(4)(-) + n-C(4)H(10) and La(3)O(7)(-) + n-C(4)H(10) are also studied by the DFT calculations, and the calculated results are in good agreement with the experimental observations. © 2011 American Chemical Society

  8. Durable antibacterial and cross-linking cotton with colloidal silver nanoparticles and butane tetracarboxylic acid without yellowing.

    Science.gov (United States)

    Montazer, Majid; Alimohammadi, Farbod; Shamei, Ali; Rahimi, Mohammad Karim

    2012-01-01

    Colloidal nano silver was applied on the surface of cotton fabric and stabilized using 1,2,3,4-butanetetracarboxylic acid (BTCA). The two properties of antimicrobial activity and resistance against creasing were imparted to the samples of fabric as a result of the treatment with silver nano colloid and BTCA. The antimicrobial property of samples was evaluated using two pathogenic bacteria including Escherichia coli and Staphylococcus aureus as outstanding barometers in this field. The durability of applied nanoparticles, color variation, wettability and wrinkle recovery angle of the treated samples were investigated employing related credible standards. The presence of nano silver particles on the surface of treated cotton fabric was proved using EDS spectrum as well as the SEM images. Furthermore, the creation of cross-links was confirmed by the means of both ATR-FTIR and Raman spectra. In conclusion, it was observed that BTCA plays a prominent role in stabilizing silver nanoparticle. Besides, Wettability and winkle recovery angle of finished samples decreased and increased, respectively. In addition, it is noteworthy that no obvious color variation was observed. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Direct Final Rule: Modifications to Standards and Requirements for Reformulated and Conventional Gasoline Including Butane Blenders and Attest Engagements

    Science.gov (United States)

    This rule modifies the reformulated and conventional gasoline regulations to correct technical errors, clarify provisions and codify certain guidance previously issued by EPA in question and answer guidance documents.

  10. N,N′-Bis[3,5-bis(2,6-diisopropylphenylphenyl]butane-2,3-diimine

    Directory of Open Access Journals (Sweden)

    Tracy L. Lohr

    2011-09-01

    Full Text Available The title molecule, C64H80N2, lies on an inversion center wherein the central butanediimine fragment [N=C(Me—C(Me=N] is essentially planar [maximum deviation = 0.002 (2 Å] and its mean plane forms a dihedral of 70.88 (10° with the attached benzene ring. In the symmetry-unique part of the molecule, the dihedral angles between the benzene ring bonded to the N atom and the other two benzene rings are 89.61 (6 and 82.77 (6°.

  11. THE EFFECTS OF EQUIVALENCE RATIO ON THE FORMATION OF POLYCYCLIC AROMATIC HYDROCARBONS AND SOOT IN PREMIXED BUTANE FLAMES. (R826730)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  12. AEROBIC COMETABOLISM OF CHLOROFORM AND 1,1,1-TRICHLOROETHANE BY BUTANE GROWN MICROORGANISMS. (R825689C019)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  13. Monolayer behaviour of chiral compounds at the air-water interface: 4-hexadecyloxy-butane-1,2-diol

    DEFF Research Database (Denmark)

    Rietz, R.; Rettig, W.; Brezesinski, G.

    1996-01-01

    . The isotherms depend only slightly on chirality. Above the transition pressure pi(c) condensed domains with a polygonal shape are formed. In all cases the domains start to destabilize from the notch. The branches of the S-enantiomer turn only clockwise, whereas domains of the mixtures show branches which turn...

  14. The Effect Of Initial Temperature On Burning Velocity Of Methane, Propane, Lpg And Iso Butane - Air Mixtures

    OpenAIRE

    Hamid, M. N.; Said, Arkan F.

    2001-01-01

    In present work, the burning velocity of a fuel - air mixtures varies with equivalence ratio, temperature and number of carbon atoms. Laminar flame speed have been measured experimentally inside a tube using the optical technique. The experimental work was carried out in a pre-pressure period in order to use density ratio method for calculation of laminar burning velocity. Mixture strength, unbumed mixture temperature and number of carbon atoms dependence of burning velocity is represented by...

  15. 3,3′-(Butane-1,4-diyldiimidazole-1,1′-diium bis(triiodide

    Directory of Open Access Journals (Sweden)

    Ai-E. Shi

    2008-08-01

    Full Text Available The cations and anions of the salt, C10H16N42+·2I3−, are linked by N—H...I hydrogen bonds and π–π stacking interactions(with interplanar distances of 3.575 and 3.528 Å into a three-dimensional supramolecular network. The asymmetric unit contains two anions and two half-cations; each cation is centrosymmetric.

  16. CCDC 1010347: Experimental Crystal Structure Determination : (butane-1,4-diylbis(di-t-butylphosphine))-(trifluoromethanesulfonato)-palladium trifluoromethanesulfonate

    KAUST Repository

    Roesle, Philipp

    2015-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  17. 3,3′-Dimethyl-1,1′-(butane-1,4-diyldiimidazolium bis(tetrafluoroborate

    Directory of Open Access Journals (Sweden)

    Hao Geng

    2010-06-01

    Full Text Available The title compound, C12H20N42+·2BF4−, was prepared by the anion exchange of a dibromide ionic liquid with sodium tetrafluoroborate. The asymmetric unit contains one half of the imidazolium cation, which lies about an inversion centre at the mid-point of the central C—C bond of the linking butyl chain. The two planar imidazole rings (r.m.s. deviation = 0.0013 Å are strictly parallel and separated by 2.625 (7 Å [vertical distance between the centroids of two imidazole rings], giving the molecule a stepped appearance. In the crystal structure, intermolecular C—H...F hydrogen bonds link the cations and anions, generating a three-dimensional network.

  18. Design-theoretical study of cascade CO2 sub-critical mechanical compression/butane ejector cooling cycle

    KAUST Repository

    Petrenko, V.O.

    2011-11-01

    In this paper an innovative micro-trigeneration system composed of a cogeneration system and a cascade refrigeration cycle is proposed. The cogeneration system is a combined heat and power system for electricity generation and heat production. The cascade refrigeration cycle is the combination of a CO2 mechanical compression refrigerating machine (MCRM), powered by generated electricity, and an ejector cooling machine (ECM), driven by waste heat and using refrigerant R600. Effect of the cycle operating conditions on ejector and ejector cycle performances is studied. Optimal geometry of the ejector and performance characteristics of ECM are determined at wide range of the operating conditions. The paper also describes a theoretical analysis of the CO2 sub-critical cycle and shows the effect of the MCRM evaporating temperature on the cascade system performance. The obtained data provide necessary information to design a small-scale cascade system with cooling capacity of 10 kW for application in micro-trigeneration systems. © 2010 Elsevier Ltd and IIR. All rights reserved.

  19. (E)-2-[(E)-3-(Hy?droxy?imino)?butan-2-yl?idene]-N-methyl?hydrazinecarbothio?amide

    OpenAIRE

    Abduelftah, Halema Shaban; Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun

    2011-01-01

    In the title compound, C6H12N4OS, an intra?molecular N?H?N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10 ] are formed via pairs of O?H?S and N?H?S hydrogen bonds. The chains are further stabilized by C?H?S interactions.

  20. Butane-1,2,3,4-tetraol-based amphiphilic stereoisomers for membrane protein study: importance of chirality in the linker region

    DEFF Research Database (Denmark)

    Das, Manabendra; Du, Yang; Mortensen, Jonas S.

    2017-01-01

    Amphiphile selection is a crucial step in membrane protein structural and functional study. As conventional detergents have limited scope and utility, novel agents with enhanced efficacy need to be developed. Although a large number of novel agents have been reported, so far there has been...... of the targeted membrane proteins depending on the chirality of the linker region. These findings indicate an important role for detergent stereochemistry in membrane protein stabilization. In addition, we generally observed enhanced detergent efficacy with increasing alkyl chain length, reinforcing...

  1. Crystal structure of [butane-2,3-dione bis(4-methylthiosemicarbazonato-κ4S,N1,N1′,S′](pyridine-κNzinc(II

    Directory of Open Access Journals (Sweden)

    Oliver C. Brown

    2015-11-01

    Full Text Available In the structure of the title complex, [Zn(C8H14N6S2(C5H5N], the ZnII ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis(thiosemicarbazonate N2S2 donor atoms. Chains sustained by intermolecular N—H...N and N—H...S hydrogen-bonding interactions extend parallel to [10-1].

  2. Butane-1,4-diammonium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cadmate(II dihydrate

    Directory of Open Access Journals (Sweden)

    Najmeh Firoozi

    2008-10-01

    Full Text Available In the title compound, (C4H14N2[Cd(C7H3NO42]·2H2O, the CdII ion is coordinated by four O atoms [Cd—O = 2.2399 (17–2.2493 (17 Å] and two N atoms [Cd—N = 2.3113 (15 and 2.3917 (15 Å] from two tridentate pyridine-2,6-dicarboxylato ligands in a distorted octahedral geometry. The uncoordinated water molecules are involved in O—H...O and N—H...O hydrogen bonds, which contribute to the formation of a three-dimensional supramolecular structure, along with π–π stacking interactions [centroid–centroid distances of 3.5313 (13 and 3.6028 (11 Å between the pyridine rings of neighbouring dianions].

  3. Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate).

    Science.gov (United States)

    Gainsford, Graeme J; Hinkley, Simon

    2013-06-01

    Levulinic acid derivatives are potential `green chemistry' renewably sourced molecules with utility in industrial coatings applications. Suitable single crystals of the centrosymmetric title compounds, C14H22O6 and C16H26O6, respectively, were obtained with difficulty. The data for the latter hexane-1,6-diyl compound were extracted from the major fragment of a three-component twinned crystal. Both compounds crystallize in similar-sized unit cells with identical symmetry, utilizing the same weak nonconventional attractive C-H···O(ketone) hydrogen bonds via C(4) and C(5) motifs, which expand to R(2)(2)(30) ring and C(2)(2)(14) chain motifs. Their different packing orientations in similar-sized unit cells suggest that crystal growth involving packing mixes could lead to intergrowths or twins.

  4. KINETICS OF METHYL T-BUTYL ETHER COMETABOLISM AT LOW CONCENTRATIONS BY PURE CULTURES OF BUTANE-DEGRADING BACTERIA. (R826694C630)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  5. (2Z,2′Z-Diethyl 3,3′-[butane-1,4-diylbis(azanediyl]bis(but-2-enoate

    Directory of Open Access Journals (Sweden)

    Mohamed Anouar Harrad

    2012-10-01

    Full Text Available The whole molecule of the title β-enaminoester, C16H28N2O4, is generated by a crystallographic inversion center, situated at the mid-point of the central C—C bond of the 1,4-diaminobutane segment. There are two intramolecular N—H...O hydrogen bonds that generate S(6 ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17 Å]. The molecule is S-shaped with the planar central 1,4-diaminobutane segment [maximum deviation for non H-atoms = 0.0058 (13 Å] being inclined to the ethyl butylenonate fragment [C—C—O—C—C=C—C; maximum deviation = 0.0710 (12 Å] by 15.56 (10°. In the crystal, molecules are linked via C—H...O interactions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

  6. {μ2-6,6′-Dimethoxy-2,2′-[butane-1,4-diylbis(nitrilomethylidyne]diphenolato}trinitratocopper(IIneodymium(III

    Directory of Open Access Journals (Sweden)

    Jing-Chun Xing

    2010-11-01

    Full Text Available In the title complex, [CuNd(C20H22N2O4(NO33], the CuII ion is coordinated in a distorted square-planar environment by two O atoms and two N atoms of a tetradentate Schiff base ligand. The NdIII ion is ten-coordinated by three bis-chelating nitrate groups and four O atoms of the Schiff base ligand. The atoms of one of the nitrato ligands are disordered over two sets of sites, with refined occupancies of 0.567 (13 and 0.433 (17.

  7. CHLOROFORM COMETABOLISM BY BUTANE-GROWN CF8, PSEUDOMONAS BUTANOVORA, MYCOBACTERIUM VACCAE JOB 5, AND METHANE-GROWN METHYLOSINUS TRICHOSPORIUM OB3B. (R825689C019)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  8. Effect Of Dyeing On Wrinkle Properties Of Cotton Cross-Linked By Butane Tetracarboxylic Acid (BTCA In Presence Of Titanium Dioxide (TiO2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Hezavehi Emadaldin

    2015-06-01

    Full Text Available This study evaluates the wrinkle behaviour and wrinkle resistant properties of cotton fabrics dyed by Direct Blue 2B in the presence and absence of nano-TiO2 particles. A finishing process on samples was performed before dyeing by means of 1,2,3,4-butanetetracarboxylic acid (BTCA and sodium hypophosphite (SHP using a pad dry cure method. Such experiments as wrinkle recovery test (AATCC-128, water drop test and dye fastness determination (ISO 105-C01 were conducted to understand how current treatment impacted the cotton fabrics’ properties. Finally, samples were characterised using the X-ray diffractometery method to scrutinise how crystallinity changes and dominates the structural parameter (wrinkle behaviour of cotton fabrics. Furthermore, scanning electron microscopy (SEM was used to visualise the surface variations of the samples before and after dyeing process. The results showed that the wrinkle resistant of cross-linked fabrics have been improved after direct dyeing. Furthermore, levelness dyeing and good fastness properties of dyes on cross-linked fabrics were observed.

  9. Synthesis, characterization and testing of a new V2O5/Al2O3−MgO catalyst for butane dehydrogenation and limonene oxidation

    NARCIS (Netherlands)

    Strassberger, Z.; Ramos-Fernandez, E.V.; Boonstra, A.; Jorna, R.; Tanase, S.; Rothenberg, G.

    2013-01-01

    We report the synthesis and characterization of new V2O5/Al2O3-MgO catalysts and their application in oxidative dehydrogenation and epoxidation reactions. The materials were prepared by wet impregnation under excess acid conditions. Anchoring of the desired species on the support occurs via an

  10. (Butane-1,2,3,4-tetraol-?3 O 1,O 2,O 3)(ethanol-?O)tris?(nitrato-?2 O,O?)holmium(III)

    OpenAIRE

    Jin-Guang Wu; Yi-Zhuang Xu; Jun-Hui Xue; Li-Min Yang; Xiao-Hui Hua

    2013-01-01

    In the title HoIII–erythritol complex, [Ho(NO3)3(C4H10O4)(C2H5OH)], the HoIII cation is chelated by a tridentate erythritol ligand and three bidentate nitrate anions. An ethanol molecule further coordinates the HoIII cation, completing the irregular O10 coordination geometry. In the crystal, an extensive O—H...O hydrogen-bond network links the molecules into a three-dimensional supramolecular structure.

  11. (Butane-1,2,3,4-tetraol-κ3O1,O2,O3(ethanol-κOtris(nitrato-κ2O,O′holmium(III

    Directory of Open Access Journals (Sweden)

    Jin-Guang Wu

    2013-03-01

    Full Text Available In the title HoIII–erythritol complex, [Ho(NO33(C4H10O4(C2H5OH], the HoIII cation is chelated by a tridentate erythritol ligand and three bidentate nitrate anions. An ethanol molecule further coordinates the HoIII cation, completing the irregular O10 coordination geometry. In the crystal, an extensive O—H...O hydrogen-bond network links the molecules into a three-dimensional supramolecular structure.

  12. 3,3′-Diphenyl-1,1′-(butane-1,4-di­yl)dithio­urea

    Science.gov (United States)

    Pansuriya, Pramod; Friedrich, Holger B.; Maguire, Glenn E. M.

    2011-01-01

    The asymmetric unit of the title compound, C18H22N4S2, contains one half-mol­ecule, the complete mol­ecule being generated by crystallographic inversion symmetry. The crystal structure features two inter­molecular N—H⋯S hydrogen-bonding inter­actions, the first generating an infinite chain along the b axis and the second an infinite chain along the a axis, together forming an inter­locking structure. PMID:22058981

  13. catena-Poly[{μ3-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato}{μ2-4,4′,6,6′-tetrabromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato}dicopper(II

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title coordination polymer consists of a dinuclear neutral complex molecule of formula [Cu2(C18H14Br4N2O22]n. One of the CuII ions is coordinated in a distorted square-planar geometry, whereas the other is coordinated in a distorted square-pyramidal geometry, the long apical Cu—O bond [2.885 (4 Å] of the square-pyramidal coordination being provided by a symmetry-related O atom creating a one-dimensional polymer along [010]. π–π stacking interactions [centroid–centroid distance = 3.783 (4 Å] and short interchain Br...Br interactions [3.6142 (12–3.6797 (12 Å] are observed.

  14. Sorption Hysteresis of Light Hydrocarbons and Carbon Dioxide in Shale and Kerogen

    KAUST Repository

    Zhao, Huangjing

    2017-11-20

    We present adsorption and desorption isotherms of methane, ethane, propane, n-butane and iso-butane as well as carbon dioxide for two shales and isolated kerogens determined by a gravimetric method. The sorption measurements of two shales were performed at three different temperatures, 308.15, 323.15, and 338.15 K. For the isolated kerogens, the measurements were conducted at 338.15 K. Methane and ethane sorption isotherms were measured to 35 bar. Carbon dioxide sorption isotherms were studied to 30 bar. Due to the low vapor pressure at room temperature, the sorption isotherms of propane, n-butane and iso-butane were measured to 8, 2, and 2 bar, respectively. The adsorptions of propane, n-butane, and iso-butane were much higher than methane at the highest pressures where the measurements were conducted. The adsorption of n-butane was 10 times higher than methane by mole at 2 bar, followed by iso-butane and propane. Our data show significant adsorption hysteresis in ethane, propane, n-butane and iso-butane. The most pronounced hysteresis was found in n-butane and iso-butane. Significant hysteresis is attributed to the reversible structural changes of kerogens. Dissolution of adsorbates into organic matter may also affect the hysteresis. This is the first report of propane and butane sorption isotherms in shales.

  15. Density and Compressibility of Multicomponent n-Alkane Mixtures up to 463 K and 140 MPa

    DEFF Research Database (Denmark)

    Regueira, Teresa; Glykioti, Maria-Lito; Stenby, Erling Halfdan

    2017-01-01

    Density measurements of two ternary alkane mixtures (methane/n-butane/n-decane and methane/n-butane/n-dodecane) and two multicomponent mixtures composed of methane/n-butane/n-octane/n-dodecane/n-hexadecane/n-eicosane were performed in the temperature range from (278.15 to 463.15) K and pressures up...

  16. A study of the removal of heavy metals from aqueous solutions by Moringa oleifera seeds and amine-based ligand 1,4-bis[N,N-bis(2-picoyl)amino]butane

    Energy Technology Data Exchange (ETDEWEB)

    Obuseng, Veronica; Nareetsile, Florence [Department of Chemistry, University of Botswana, Private Bag UB 00704, Gaborone (Botswana); Kwaambwa, Habauka M., E-mail: hmkwaambwa@yahoo.com [Department of Chemistry, University of Botswana, Private Bag UB 00704, Gaborone (Botswana)

    2012-06-12

    Highlights: Black-Right-Pointing-Pointer Materials are effective and selective in simultaneous removal of heavy metal ions. Black-Right-Pointing-Pointer Use of composite adsorbent of both materials may result in more effective material. Black-Right-Pointing-Pointer Seeds biomass has various functional groups involves in metal removal. Black-Right-Pointing-Pointer Attainment of sorption equilibrium is rapid for the seeds biomass. Black-Right-Pointing-Pointer Seeds biomass effectiveness is not affected over wide effective pH range. - Abstract: Uptake for lead, copper, cadmium, nickel and manganese from aqueous solution using the Moringa oleifera seeds biomass (MOSB) and amine-based ligand (ABL) was investigated. Experiments on two synthetic multi-solute systems revealed that MOSB performed well in the biosorption and followed the decreasing orders Pb(II) > Cu(II) > Cd(II) > Ni(II) > Mn(II) and Zn(II) > Cu(II) > Ni(II). The general trend of the heavy metal ions uptake by the amine-based ligand followed decreased in the order Mn > Cd > Cu > Ni > Pb, which is the reverse trend for what was observed for MOSB. Comparing the single- and multi-metal solutions, there was no clear effect in the biosorption capacity of MOSB suggesting the presence of sufficient active binding sites for all metal ions studied. The MOSB performance is also not affected by pH in the range 3.5-8.

  17. catena-Poly[[[dichloridozinc(II]-μ-1,4-bis(1H-benzimidazol-2-yl-κN3butane] 1,4-bis(1H-benzimidazol-2-ylbutane solvate

    Directory of Open Access Journals (Sweden)

    Yan-Ling Zhou

    2010-01-01

    Full Text Available In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl2(C18H18N4]·C18H18N4}n, the tetrahedrally coordinated ZnII ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but interacts with the chain through N—H...N and N—H...Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511 (4:0.289 (5:0.200 (5 ratio.

  18. catena-Poly[copper(II-{μ3-4,4′-dibromo-2,2′-[butane-1,4-diylbis(nitrilomethanylylidene]diphenolato-κ4N,O:N′,O′:O′}

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2011-04-01

    Full Text Available The asymmetric unit of the title coordination polymer, [Cu(C18H16Br2N2O2]n, consists of a Schiff base complex in which a crystallographic twofold rotation axis bisects the central C—C bonds of the n-butyl spacers of the designated Schiff base ligands, making symmetry-related dimer units, which are twisted around CuII atoms in a bis-bidentate coordination mode. In the crystal, these dimeric units are connected through Cu—O bonds, forming one-dimensional coordination polymers, which propagate along [001]. The CuII atom adopts a square-based pyramidal coordination geometry, being coordinated by two N and two O atoms of symmetry-related ligands and by a third O atom of a neighboring complex. Furthermore, intermolecular π–π interactions [centroid–centroid distance = 3.786 (2 Å] and C—H...O interactions stabilize the crystal packing.

  19. KINETIC AND INHIBITION STUDIES FOR THE AEROBIC COMETABOLISM OF 1,1,1-TRICHLOROETHANE, 1,1-DICHLOROETHYLENE, AND 1,1-DICHLOROETHANE BY A BUTANE-GROWN MIXED CULTURE. (R828772)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  20. A COMBINED METHOD FOR DETERMINING INHIBITON TYPE, KINETIC PARAMETERS, AND INHIBITION COEFFICIENTS FOR AEROBIC COMETABOLISM OF 1,1,1-TRICHLOROETHANE BY A BUTANE-GROWN MIXED CULTURE. (R828772C003)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  1. A COMBINED METHOD FOR DETERMINING INHIBITION TYPE, KINETIC PARAMETERS, AND INHIBITION COEFFICIENTS FOR AEROBIC COMETABOLISM OF 1,1,1-TRICHLOROETHANE BY A BUTANE-GROWN MIXED CULTURE. (R828772)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  2. KINETIC AND INHIBITION STUDIES FOR THE AEROBIC COMETABOLISM OF 1,1,1-TRICHLOROETHANE, 1,1-DICHLOROETHYLENE, AND 1,1-DICHLOROETHANE BY A BUTANE-GROWN MIXED CULTURE. (R828772C003)

    Science.gov (United States)

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  3. Catalytic behavior of Ni/Zr{sub x}Ti{sub 1-x}O{sub 2} and the effect of SiO{sub 2} doping in oxidative steam reforming of n-butane

    Energy Technology Data Exchange (ETDEWEB)

    Sago, Fumiaki [Department of Applied Chemistry, Faculty of Engineering, Oita University, 700 Dannoharu, Oita City, Oita 870-1192 (Japan); KYOCERA Corporation (Japan); Fukuda, Sho; Nagaoka, Katsutoshi; Nishiguchi, Hiroyasu; Takita, Yusaku [Department of Applied Chemistry, Faculty of Engineering, Oita University, 700 Dannoharu, Oita City, Oita 870-1192 (Japan); Sato, Katsutoshi [Department of Applied Chemistry, Faculty of Engineering, Oita University, 700 Dannoharu, Oita City, Oita 870-1192 (Japan); Research Fellow of the Japan Society for the Promotion of Science, Washington, DC (United States)

    2009-10-15

    Catalytic behaviors of TiO{sub 2}-, Zr{sub 0.5}Ti{sub 0.5}O{sub 2}-, and ZrO{sub 2}-supported Ni catalysts were investigated for oxidative steam reforming of n-C{sub 4}H{sub 10} at 723 K. The composite oxide support, Zr{sub 0.5}Ti{sub 0.5}O{sub 2}, shows high specific surface area (136 m{sup 2}/g), leading to fine Ni particles. Thus, the Ni/Zr{sub 0.5}Ti{sub 0.5}O{sub 2} catalyst exhibits higher and more stable activity than that exhibited by other catalysts. However, relatively large amounts of coke are deposited on the catalyst during reaction. Thus, to retard carbon deposition, the influence of SiO{sub 2} additive was studied. Large amounts of SiO{sub 2} additive (5 or 10 mol%) decrease initial activity; at 10 mol%, degradation is also induced by oxidation of Ni{sup 0}. However, small amounts of SiO{sub 2} additive (1.5 mol%) effectively retard coking without lowering initial activity. The resultant Ni/Zr{sub 0.5}Ti{sub 0.5}O{sub 2}-SiO{sub 2} (1.5 mol%) catalyst exhibits high and stable activity without coking. (author)

  4. Basic investigation on feasibility of verification researches for new energy technologies in Asian developing countries (Nepal, Mongolia and Bhutan); Asia kohatsu kaihatsu tojokoku (Neparu Mongoru Butan) ni okeru shin energy gijutsu jissho kenkyu kanosei kiso chosa

    Energy Technology Data Exchange (ETDEWEB)

    1992-03-01

    A basic investigation has been carried out on feasibility for performing joint verification researches on new energy technologies being developed in Japan with Asian developing countries (Nepal, Mongolia, and Bhutan). Nepal has abundant new energy resources including mini-hydropower, solar energy, wind power, and biomass energy. Among them, the mini-hydropower generation is applied to electrification of communities. Other energy sources are also used though in small scales. The Royal Nepal Academy of Science and Technology is actively engaged in efforts for the research and development of new energies. The energy policy of the Mongolian Government calls for expansion of coal burning thermal power plants with the abundant coal availability as the background, and development of new energies to reduce import of liquid fuels. The research and development on new energy has been conducted by the Renewable Energies Scientific Production Corporation. The Bhutan`s energy policy is to develop mini-hydropower stations using inexhaustible hydraulic power in an attempt to replace the conventional fuel resources of firewoods and charcoals with electric power. The agency to be dealt with is the Department of Electric Power of the Ministry of Trade, Industry and Electric Power. 7 figs., 40 tabs.

  5. The Heterogeneous Photocatalytic Decomposition of Benzoic Acid and Adipic Acid on Platinized TiO2 Powder. The Photo-Kolbe Decarboxylative Route to the Breakdown of the Benzene Ring and to the Production to Butane.

    Science.gov (United States)

    1980-10-29

    Overberger, C.G.; Kabasakalian, P. J. Am. Chem. _.oc. 1957, 79, 3182. 27. (a) Kuhnle, J.A.; Lundin , R.E.; Waiss, A.C. Jr. J. Chem. Soc. 1972, Chem. Commun...S. Clark Street San Diego, California 92152 1 Chicago, Illinois 60605 1 Naval Weapons Center ... es-ef-f - Attn: Dr. A. B. Amster, At... . f DCp...Joseph Singer, Code 302-1 Electrochimica Corporation NASA-Lewis Attention: Technical Library 21000 BrookDark Road 2485 Charleston Poad Cleveland, Ohio

  6. "Time for dabs": Analyzing Twitter data on marijuana concentrates across the U.S

    National Research Council Canada - National Science Library

    Daniulaityte, Raminta; Nahhas, Ramzi W; Wijeratne, Sanjaya; Carlson, Robert G; Lamy, Francois R; Martins, Silvia S; Boyer, Edward W; Smith, G Alan; Sheth, Amit

    2015-01-01

    Media reports suggest increasing popularity of marijuana concentrates ("dabs"; "earwax"; "budder"; "shatter; "butane hash oil") that are typically vaporized and inhaled via a bong, vaporizer or electronic cigarette...

  7. Impact of molecular structure on the lubricant squeeze-out between curved surfaces with long range elasticity

    DEFF Research Database (Denmark)

    Tartaglino, Ugo; Sivebæk, Ion Marius; Persson, B N J

    2006-01-01

    The properties of butane (C4H10) lubricants confined between two approaching solids are investigated by a model that accounts for the curvature and elastic properties of the solid surfaces. We consider the linear n-butane and the branched isobutane. For the linear molecule, well defined molecular...

  8. Planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as stationary phase

    Science.gov (United States)

    Platonov, I. A.; Platonov, V. I.; Pavelyev, V. S.

    2016-04-01

    The high selectivity of the adsorption layer for low-boiling alkanes is shown, the separation factor (α) couple iso-butane / butane is 1.9 at a column temperature of 50 °C.The paper presents sorption and selective properties of planar gas chromatography column on aluminum plate with multi-walled carbon nanotubes as the stationary phase.

  9. 76 FR 40850 - Glymes; Proposed Significant New Use Rule

    Science.gov (United States)

    2011-07-12

    ... fluids. --As a component of consumer paint/graffiti removers. --in consumer paints. 112-73-2 Butane, 1,1... consumer adhesives, as a component of consumer paint and graffiti removers and in consumer paints... consumer paint/graffiti removers. --In consumer paints. 112-73-2 Butane, 1,1'- Any use in a [oxybis(2,1...

  10. Superacid catalysis of light hydrocarbon conversion. Final report, August 26, 1993--August 26, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B.C.

    1996-12-31

    Motivated by the goal of finding improved catalysts for low- temperature conversion of light alkanes into fuel components or precursors of fuel components, the researchers have investigated sulfated zirconia and promoted sulfated zirconia for conversion of butane, propane, and ethane. Catalyst performance data for sulfated zirconia promoted with iron and manganese show that it is the most active noncorrosive, nonhalide catalyst known for n-butane isomerization, and it is an excellent candidate catalyst for new low- temperature n-butane isomerization processes to make isobutane, which can be converted by established technology into methyl t-butyl ether (MTBE). Various transition metals have been found to work as promoters of sulfated zirconia for n-butane isomerization. The combination of iron and manganese is the best known combination of promoters yet discovered. The iron- and manganese-promoted sulfated zirconia is also a catalyst for conversion of propane and of ethane. Ethane is converted into ethylene and butanes in the presence of the iron- and manganese-promoted sulfated zirconia; propane is also converted into butane, among other products. However, the activities of the catalyst for these reactions are orders of magnitude less than the activity for n-butane conversion, and there is no evidence that the catalyst would be of practical value for conversion of alkanes lighter than butane. The product distribution data for ethane and propane conversion provide new insights into the nature of the catalyst and its acidity. These data suggest the involvement of Olah superacid chemistry, whereby the catalyst protonates the alkane itself, giving carbonium ions (as transition states). The mechanism of protonation of the alkane may also pertain to the conversion of butane, but there is good evidence that the butane conversion also proceeds via alkene intermediates by conventional mechanisms of carbenium ion formation and rearrangement.

  11. {μ-6,6′-Dimethoxy-2,2′-[butane-1,4-diylbis(nitrilomethylidyne]diphenolato-1:2κ8O6,O1,O1′,O6′:O1,N,N′,O1′}tris(nitrato-1κ2O,O′copper(IIgadolinium(III

    Directory of Open Access Journals (Sweden)

    Christopher Chan

    2010-05-01

    Full Text Available In the title dinuclear complex, [CuGd(C20H22N2O4(NO33], the CuII ion is located in the inner N2O2 cavity of the Schiff base ligand and adopts a distorted square-planar geometry. The GdIII ion is ten-coordinate being bound to ten O atoms, four from the Schiff base ligand and six from three bidentate nitrate anions. The CuII and GdIII ions are linked by two phenolate O atoms of the Schiff base ligand, with a separation of 3.5185 (9 Å.

  12. [μ-1,1′-(Butane-1,4-diyldi-1H-benzimidazole-κ2N3:N3′]bis{[N,N′-bis(carboxymethylethylenediamine-N,N′-diacetato-κ5O,O′,O′′,N,N′]mercury(II} methanol disolvate

    Directory of Open Access Journals (Sweden)

    Gang-Sen Li

    2009-08-01

    Full Text Available The binuclear title complex, [Hg2(C10H14N2O82(C18H18N4]·2CH3OH, lies on an inversion center with the unique HgII ion coordinated in a disorted octahedral environment with one Hg—N bond significantly shorter than the other two. In the crystal structure, intermolecular O—H...O hydrogen bonds link complex and solvent molecules into a three-dimensional network.

  13. 1,1'-Dimethyl-4,4'-(2,4-di-1-naphthyl-cyclo-butane-1,3-di-yl)dipyridinium-(E)-1-methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium-4-amino-benzene-sulfonate-water (0.25/1.50/2/2).

    Science.gov (United States)

    Fun, Hoong-Kun; Chanawanno, Kullapa; Chantrapromma, Suchada

    2009-07-31

    In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(-)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1 (7) and 3.8 (8)°. The dication lies about an inversion centre. In the crystal, the dication occupies almost the same site occupied by monocations at (x, y, z) and (-x, 1 - y, 1 - z). The anions and water mol-ecules are linked into a chain along the a axis by O-H⋯O and N-H⋯O hydrogen bonds. The structure is further stabilized by C-H⋯O hydrogen bonds and π-π inter-actions between pyridinium and benzene rings, with centroid-centroid distances in the range 3.516 (9)-3.553 (8) Å. The crystal is a twin with twin law, TWIN 0 0 0 0 1 0 1. The monocation and dication are disordered with fractional site occupancy ratio of 0.75:0.25.

  14. Density and viscosity of binary mixtures of ethyl acetate with methanol, ethanol, propan-1-ol, propan-2-ol, butan-1-ol, 2-methylpropan-1-ol, and 2-methylpropan-2-ol at (298.15, 303.15, and 308.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Nikam, P.S.; Mahale, T.R.; Hasan, M. [M.S.G. Coll., Malegaon Camp (India). Dept. of Physical Chemistry

    1996-09-01

    Densities and viscosities have been measured for the binary mixtures of ethyl acetate with linear and branched alkanols (C{sub 1}-C{sub 4}) at (298.15, 303.15, and 308.15) K. The experimental density ({zeta}) and viscosity ({eta}) values were used to calculate the excess molar volume (V{sup E}) and viscosity deviation ({Delta}{eta}). The V{sup E} and {Delta}{eta} values have been fitted to a Redlich-Kister polynomial.

  15. Macrochain configuration, stucture of free volume and transport properties of poly(1-trimethylsilyl-1-propyne) and poly(1-trimethylgermyl-1-propyne)

    KAUST Repository

    Matson, Samira M.

    2012-08-01

    The relationship between poly(1-trimethylsilyl-1-propyne) (PTMSP) and poly(1-trimethylger- myl-1-propyne) (PTMGP) microstructure, gas permeability and structure of free volume is reported. n-Butane/methane mixed-gas permeation properties of PTMSP and PTMGP membranes with different cis-/trans-composition have been investigated. The n-butane/methane selectivities for mixed gas are by an order higher than the selectivities calculated from pure gas measurements (the mixed-gas n-butane/methane selectivities are 20-40 for PTMSP and 22-35 for PTMGP). Gas permeability and n-butane/methane selec- tivity essentially differ in polymers with different cis-/trans-composition. Positron annihilation lifetime spec- troscopy investigation of PTMSP and PTMGP with different microstructure has determined distinctions in total amount and structure of free volume, i.e. distribution of free volume elements. The correlation between total amount of free volume and gas transport parameters is established: PTMSP and PTMGP with bigger free volume exhibit higher n-butane permeability and mixed-gas n-butane/methane selectivity. Such behav- ior is discussed in relation to the submolecular structure of polymers with different microstructure and sorp- tion of n-butane in polymers with different free volume. © Pleiades Publishing, Ltd., 2012.

  16. Growth of n-alkane films on a single-crystal substrate

    DEFF Research Database (Denmark)

    Wu, Z. U.; Ehrlich, S. N.; Matthies, B.

    2001-01-01

    reveal that growth of all films is preempted between two and three layers by nucleation of bulk particles oriented with a single bulk crystal plane parallel to the film. In the case of butane, the bulk particles also have a fixed azimuthal relationship with the film resulting in complete epitaxy.......The structure and growth mode of alkane films (n-C/sub n/H/sub 2n+2/; n=4, 6, 7) adsorbed on a Ag(111) surface have been investigated by synchrotron X-ray scattering. New models are proposed for the butane (n=4) and hexane (n=6) monolayer and butane bilayer structures. Specular reflectivity scans...

  17. Sulforaphane inhibits pancreatic cancer through disrupting Hsp90-p50Cdc37complex and direct interactions with amino acids residues of Hsp90

    NARCIS (Netherlands)

    Li, Yanyan; Karagöz, G. Elif; Seo, Young Ho; Zhang, Tao; Jiang, Yiqun; Yu, Yanke; Duarte, Afonso M.S.; Schwartz, Steven J.; Boelens, Rolf; Carroll, Kate; Rüdiger, Stefan G.D.; Sun, Duxin

    2012-01-01

    Sulforaphane [1-isothiocyanato-4-(methyl-sulfinyl) butane)], an isothiocyanate derived from cruciferous vegetables, has been shown to possess potent chemopreventive activity. We analyzed the effect of sulforaphane on the proliferation of pancreatic cancer cells. Sulforaphane inhibited pancreatic

  18. Alkanes in Firn Air Samples, Antarctica and Greenland, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains ethane, propane, and n-butane measurements in firn air from the South Pole and the West Antarctic Ice Sheet (WAIS) Divide in Antarctica, and...

  19. Two simple amine hydrochlorides from the soft coral Lobophytum strictum

    Digital Repository Service at National Institute of Oceanography (India)

    Parameswaran, P.S.; Naik, C.G.; Das, B.; Kamat, S.Y.

    Two simple amine hydrochlorides, viz., 1-amino-1, 1-dimethyl-3-oxo-butane hydrochloride (1) (Diacetonamine) and 2, 2, 6, 6-tetramethylpiperidone hydrochloride (2) have been isolated from the fraction of the methanolic extract of the soft coral...

  20. 78 FR 29815 - Control of Air Pollution From Motor Vehicles: Tier 3 Motor Vehicle Emission and Fuel Standards

    Science.gov (United States)

    2013-05-21

    ... Butane manufacturers. ] Industry 325193 2869 Ethyl alcohol manufacturing. Industry 211112 1321 Natural... manufacturing. Industry 486910 4613 Natural gas liquids pipelines, refined petroleum products pipelines... economy. Sulfur in the fuel quickly causes the fuel economy benefits of lean- burn technologies to...

  1. Investigation on the exposure of hairdressers to chemical agents

    NARCIS (Netherlands)

    Wal, J.F. van der; Hoogeveen, A.W.; Moons, A.M.M.; Wouda, P.

    1997-01-01

    Concentrations of compounds released from hairdressing products such as ammonia, hydrogen peroxide, ethanol, propane, butane, volatile organic compounds, and dust particles were measured in hairdressing salons. When compared with general accepted standards for the work place (threshold limit values,

  2. Substance use - inhalants

    Science.gov (United States)

    Substance abuse - inhalants; Drug abuse - inhalants; Drug use - inhalants; Glue - inhalants ... Gases, such as butane (lighter fluid), computer cleaning spray, ... fast-drying glue, felt-tip marker, gasoline, nail polish remover, ...

  3. Synthesis of Hyperbranched Glycoconjugates by the Combined Action of Potato Phosphorylase and Glycogen Branching Enzyme from Deinococcus geothermalis

    NARCIS (Netherlands)

    van der Vlist, Jeroen; Faber, Martin; Loen, Lizette; Dijkman, Teunis J.; Asri, Lia A. T. W.; Loos, Katja

    Potato phosphorylase is able to synthesize linear polyglucans from maltoheptaose primers. By coupling maltoheptaose to butane diamine, tris(2-aminoethyl)amine and amine functionalized amine functionalized poly ethyleneglycol (PEG), new primer molecules became available. The resulting di-, tri- and

  4. From an equilibrium based MOF adsorbent to a kinetic selective carbon molecular sieve for paraffin/iso-paraffin separation.

    Science.gov (United States)

    Li, Baiyan; Belmabkhout, Youssef; Zhang, Yiming; Bhatt, Prashant M; He, Hongming; Zhang, Daliang; Han, Yu; Eddaoudi, Mohamed; Perman, Jason A; Ma, Shengqian

    2016-11-24

    We unveil a unique kinetic driven separation material for selectively removing linear paraffins from iso-paraffins via a molecular sieving mechanism. Subsequent carbonization and thermal treatment of CD-MOF-2, the cyclodextrin metal-organic framework, afforded a carbon molecular sieve with a uniform and reduced pore size of ca. 5.0 Å, and it exhibited highly selective kinetic separation of n-butane and n-pentane from iso-butane and iso-pentane, respectively.

  5. Near East/North Africa Report, Number 2626

    Science.gov (United States)

    1982-09-24

    was summarized or extracted . Unfamiliar names rendered phonetically or transliterated are enclosed in parentheses. Words or names preceded by a ques...the fact that gas is less flammable than butane and is more rapidly consumed. Cooking okra , which would take half an hour with butane fuel, now...opening of Onsetting Station IV with a capacity of 3.9 million tons per year, the startup of which is planned for 1984, and the extraction and

  6. Environmental Regulations: Impact on the United States Petroleum Exploration and Production Industry

    Science.gov (United States)

    1993-12-01

    of LPG such as ethane, propane and butane. The raw natural gas stream generally contains small amounts of LPG and may also contain other compounds...NGL recovery is the process of extracting hydrocarbons such as butane and propane . This process is carried out by compression and/or cooling, absorption...water, bottom sludges and solids, NORM "* Heater Treaters - Produced water, bottom sludges and solids, absorption material "* Oil Stock Tanks

  7. [Using 2-DCOS to identify the molecular spectrum peaks for the isomer in the multi-component mixture gases Fourier transform infrared analysis].

    Science.gov (United States)

    Zhao, An-Xin; Tang, Xiao-Jun; Zhang, Zhong-Hua; Liu, Jun-Hua

    2014-10-01

    The generalized two-dimensional correlation spectroscopy and Fourier transform infrared were used to identify hydrocarbon isomers in the mixed gases for absorption spectra resolution enhancement. The Fourier transform infrared spectrum of n-butane and iso-butane and the two-dimensional correlation infrared spectrum of concentration perturbation were used for analysis as an example. The all band and the main absorption peak wavelengths of Fourier transform infrared spectrum for single component gas showed that the spectra are similar, and if they were mixed together, absorption peaks overlap and peak is difficult to identify. The synchronous and asynchronous spectrum of two-dimensional correlation spectrum can clearly identify the iso-butane and normal butane and their respective characteristic absorption peak intensity. Iso-butane has strong absorption characteristics spectrum lines at 2,893, 2,954 and 2,893 cm(-1), and n-butane at 2,895 and 2,965 cm(-1). The analysis result in this paper preliminary verified that the two-dimensional infrared correlation spectroscopy can be used for resolution enhancement in Fourier transform infrared spectrum quantitative analysis.

  8. High pressure phase equilibrium of ternary and multicomponent alkane mixtures in the temperature range from (283–473) K

    DEFF Research Database (Denmark)

    Regueira Muñiz, Teresa; Liu, Yiqun; Wibowo, Ahmad A.

    2017-01-01

    Asymmetric multicomponent alkane mixtures can be used as model systems for reservoir fluids. We have prepared two ternary mixtures, methane/n-butane/n-decane and methane/n-butane/n-dodecane, and two multicomponent mixtures composed of methane/n-butane/n-octane/n-dodecane/n-hexadecane/n-eicosane a......Asymmetric multicomponent alkane mixtures can be used as model systems for reservoir fluids. We have prepared two ternary mixtures, methane/n-butane/n-decane and methane/n-butane/n-dodecane, and two multicomponent mixtures composed of methane......-Redlich-Kwong (SRK), Peng-Robinson (PR), Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT), and Soave-Benedict-Webb-Rubin (Soave-BWR), have been used to predict phase equilibrium of the measured systems. PR and PC-SAFT give better results than others and Soave-BWR gives poor phase envelope predictions...... the fractions just below the saturation pressures are difficult to predict. Moreover GERG-2008 has also been tested with the measured methane/n-butane/n-decane system. It over predicts the saturation pressures but predicts low pressure liquid fractions quite accurately....

  9. Identification of a potential third component of the male-produced pheromone of Anoplophora glabripennis and its effect on behavior.

    Science.gov (United States)

    Crook, Damon J; Lance, David R; Mastro, Victor C

    2014-12-01

    The Asian longhorned beetle, Anoplophora glabripennis, is considered to be one of the most serious invasive pests of deciduous trees in North America. An efficient monitoring trap is needed to detect and delimit new introductions and assess population densities of established infestations. Previous studies on A. glabripennis have shown that males produce a two-component aggregation pheromone that consists of a 1:1 blend of 4-(n-heptyloxy)butan-1-ol and 4-(n-heptyloxy)butanal. Moderate attraction in field trapping studies suggested that there may be additional chemical cues missing. Volatiles from male A. glabripennis were examined to identify other potential pheromone components. Gas chromatographic / electroantennographic (GC/EAD) analyses of male aerations detected a consistent EAD-active response to a previously unidentified compound. This compound was identified as (3E,6E)-α-farnesene. Both male and female beetles were antennally responsive to this sesquiterpene, and both sexes were attracted to it in olfactometer bioassays at different doses. When (3E,6E)-α-farnesene was combined with 4-(n-heptyloxy)butan-1-ol and 4-(n-heptyloxy)butanal, attraction of both sexes increased compared to assays using 4-(n-heptyloxy)butan-1-ol and 4-(n-heptyloxy)butanal alone.

  10. Tritiated chiral alkanes as substrates for soluble methane monooxygenase from Methylococcus capsulatus (Bath): Probes for the mechanism of hydroxylation

    Energy Technology Data Exchange (ETDEWEB)

    Valentine, A.M.; Liu, K.E.; Komar-Panicucci, S.; Lippard, S.J. [Massachusetts Inst. of Technology, Cambridge, MA (United States); Wilkinson, B.; Priestley, N.D.; Floss, H.G. [Univ. of Washington, Seattle, WA (United States); Williams, P.G.; Morimoto, Hiromi [Lawrence Berkeley National Lab., CA (United States)

    1997-02-26

    The tritiated chiral alkanes (S)-[1-{sup 2}H{sub 1}, 1-{sup 3}H]ethane, (R)-[1-{sup 2}H{sub 1},1-{sup 3}H]ethane, (S)-[1-{sup 2}H{sub 1},1-{sup 3}H]butane, (R)-[1-{sup 2}H{sub 1}, 1-{sup 3}H]butane, (S)-[2-{sup 3}H]butane, (R)-[2-{sup 3}H]butane, and racemic [2-{sup 3}H]butane were oxidized by soluble methane monooxygenase (sMMO) from Methylococcus capsulatus (Bath), and the absolute stereochemistry of the resulting product alcohols was determined in order to probe the mechanism of substrate hydroxylation. When the hydroxylations were performed with purified hydroxylase but only a partially purified cellular extract for the coupling and reductase proteins, different product distributions were observed. These apparently anomalous results could be explained by invoking exchange of hydrogen atoms at the {alpha} carbon of the product alcohols. The characteristics of this exchange reaction are discussed. Together with the mechanistic information available from a range of substrate probes, the results are best accounted for by a nonsynchronous concerted process involving attack on the C-H bond by one or more of several pathways discussed in the text. 65 refs., 5 figs., 3 tabs.

  11. Relative Retention Time Library for Selected Hydrocarbons via Glass Capillary Gas Chromatography.

    Science.gov (United States)

    1982-02-01

    Eicosane 343.8 12.7941 0.10 BPANCHED ALKANES 2,2-Dimethyl Butane 49.74 .2605 0.30 2,3-Dimethyl Butane 57.99 .3403 0.41 2-Methyl Pentane 60.27 .3529 0.06...Pentadecane 270.63 9.4342 9.3955 9.3746 N-Hexadecane 287.0 10.3445 10.3082 10.2994 N-Octadecane 316.1 12.0087 N-Nonadecane 329.7 12.4482 N- Eicosane ...Hexadecane 287.0 1.78 .26 N-Octadecane 316.1 .06 t t N-Nonadecane 329.7 t t N- Eicosane 343.8 BRANCHED ALKANES 2,2-Dimethyl Butane 49.74 .10 t t t 2,3

  12. Phase equilibrium measurements on nine binary mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Wilding, W.V. [Brigham Young Univ., Provo, UT (United States). Chemical Engineering Dept.; Giles, N.F.; Wilson, L.C. [Wiltec Research Co. Inc., Provo, UT (United States)

    1996-11-01

    Phase equilibrium measurements have been performed on nine binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following systems at two temperatures each: (aminoethyl)piperazine + diethylenetriamine; 2-butoxyethyl acetate + 2-butoxyethanol; 2-methyl-2-propanol + 2-methylbutane; 2-methyl-2-propanol + 2-methyl-2-butene; methacrylonitrile + methanol; 1-chloro-1,1-difluoroethane + hydrogen chloride; 2-(hexyloxy)ethanol + ethylene glycol; butane + ammonia; propionaldehyde + butane. Equilibrium vapor and liquid phase compositions were derived form the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or the NRTL activity coefficient model to represent the liquid phase. A large immiscibility region exists in the butane + ammonia system at 0 C. Therefore, separate vapor-liquid-liquid equilibrium measurements were performed on this system to more precisely determine the miscibility limits and the composition of the vapor phase in equilibrium with the two liquid phases.

  13. Amount and composition of gases in the HF process

    Energy Technology Data Exchange (ETDEWEB)

    Welz, H.

    1944-04-04

    Gases arising from production of 50%-aromatics gasoline in an HF kiln installation are considered. Results from a naphthenic starting material are compared to those from a paraffinic starting material, with both starting materials being raw gasoline distilled to 165/sup 0/C. The figures gave 19 to 21% by weight for naphthenic versus 23 to 25% for paraffinnic materials. The author's superior, Dr. Kaufmann, made a marginal note that those figures were quite high under consideration of the fact that the yield of HF gasoline and gases would be only 71.5% versus 75.5% after losses to coking and redistillation residues. Figures are also included for the composition of the gases. Relative to the total amount of gas, the composition was given as 6 to 7% hydrogen, 14 to 20% methane, 24 to 32% ethane, 25 to 33% propane, 5 to 8% iso-butane, and 11.5 to 15.5% normal butane. Relative to the hydrocarbon content only, the composition was given as 15 to 21% methane, 25.5 to 34% ethane, 26.5 to 35% propane, 5.5 to 8.5% iso-butane, and 12.5 to 16.5% normal butane. The olefin content of the gases was less than 2%. Another marginal note gave compositions separated into naphthenic versus paraffinic materials, respectively, again relative to hydrocarbons only. These figures were 18.5 vs 18.2% methane, 28.4 vs. 29.6% ethane, 29.4 vs. 31.0% propane, 7.6 vs. 6.9% iso-butane, and 16.3 vs. 14.4% normal butane. Yields were given as 82 vs. 79.5% for this set of figures.

  14. Two-phase flows during a discharge of liquefied gases, initially at saturation. Effect of the nature of the fluid; Ecoulements diphasiques lors de la vidange de gaz liquefies initialement a saturation. Influence de la nature du fluide

    Energy Technology Data Exchange (ETDEWEB)

    Alix, P.

    1997-10-03

    In the case of a confinement loss (breakage of a connection piece) on a pressurized liquefied gas tank, a critical two-phase (liquid-vapour) flow is generated. This thesis is aimed at the validation of models describing these flows with various fluids (water, R 11, methanol, ethyl acetate, pure butane, commercial butane), using a pilot experimental plant. Results show that reduced upstream pressure is the main parameter, thus indicating that a model can be validated using minimal fluids. The homogenous models DEM and HRM appear to be more precise

  15. A Crew Exposure Study. Volume I. Offshore.

    Science.gov (United States)

    1982-03-15

    Propane 1293 Isobutane 1372 Normal-butane 1049 Isopentane 1113 Normal-pentane 1009 Iso hexane 1162 Normal-hexane 1143 * Scientific Gas Products, Inc...ppm Door ppm (Closed) Area Sample Station 350 to 13 800 to 50001 500 ppm 450 ppm 1500 to ppm 000 q• ( Sliding Door (Closed) Drawing Not to Scale...trace for a source sample obtained at the flotation cell. Peaks for methane, ethane, propane, iso -(i) and normal-(n) butane, i- and n- pentane, and i

  16. Stimulatory beetle volatiles for the Asian longhorned beetle, Anoplophora glabripennis (Motschulsky).

    Science.gov (United States)

    Zhang, Aijun; Oliver, James E; Aldrich, Jeffrey R; Wang, Baode; Mastro, Vic C

    2002-01-01

    Two male-specific beetle volatiles were found that elicited strong gas chromatographic-electroantennographic responses from both sexes of Asian longhorned beetle adults, Anoplophora glabripennis. The secretion consisted of a approximately 1:1 (v/v) blend of functionalized dialkyl ethers, 4-(n-heptyloxy)butanal and 4-(n-heptyloxy)butan-1-ol. These compounds are chemically unusual natural products that are previously unknown from insects. Laboratory olfactometer studies showed that a blend of 10 microg of each synthetic compound on a filter paper strip was significantly attractive to ALB adults.

  17. Refining of Military Jet Fuels from Shale Oil. Part IV. Process Computer Modeling Studies.

    Science.gov (United States)

    1982-08-01

    Thermal Units C1 Methane C2 Ethane C3 Propane C3 Propylene C4 Mixed Butanes n-C4 Normal Butane i-C4 Isobutane C4 " Butylene C5 Pentane C6...for lighter products such as fuel gas, propane , propylene, C4 ’s, and C5 1 s. For heavier stream components, a set of pseudocomponents was developed...yields rapidly rise in the crack- ing unit as hydrotreating severity in the crude shale hydro- treater is reduced. This phenomenon results in the

  18. From an equilibrium based MOF adsorbent to a kinetic selective carbon molecular sieve for paraffin/iso-paraffin separation

    KAUST Repository

    Li, Baiyan

    2016-11-04

    We unveil a unique kinetic driven separation material for selectively removing linear paraffins from iso-paraffins via a molecular sieving mechanism. Subsequent carbonization and thermal treatment of CD-MOF-2, the cyclodextrin metal-organic framework, afforded a carbon molecular sieve with a uniform and reduced pore size of ca. 5.0 Å, and it exhibited highly selective kinetic separation of n-butane and n-pentane from iso-butane and iso-pentane, respectively. © The Royal Society of Chemistry.

  19. Regioselective alkane hydroxylation with a mutant AlkB enzyme

    Science.gov (United States)

    Koch, Daniel J.; Arnold, Frances H.

    2012-11-13

    AlkB from Pseudomonas putida was engineered using in-vivo directed evolution to hydroxylate small chain alkanes. Mutant AlkB-BMO1 hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. Mutant AlkB-BMO2 similarly hydroxylates propane and butane at the terminal carbon at a rate greater than the wild-type to form 1-propanol and 1-butanol, respectively. These biocatalysts are highly active for small chain alkane substrates and their regioselectivity is retained in whole-cell biotransformations.

  20. Suicide Inhibitors of Reverse Transcriptase in the Therapy of AIDS and Other Retroviruses

    Science.gov (United States)

    1989-07-01

    are shown below. One of the first, [N-(L-3-tran carboxyxiran-2-carbonyl)-L-leucyl]-amido (4-guanido) butane was isolated from Asperg /II japonicus and... Read E., Gallo R.C. Detection, isolation and continuous production of cytopathic retroviruses (HTLV 111) from patients with AIDS and pre-AIDS

  1. Asymmetric reduction and Meerwein-Ponndorf-Verley reaction of prochiral aromatic ketones in the presence of optically pure 1-aryl-2,2-dimethylpropane-1,3-diols

    NARCIS (Netherlands)

    Hu, Xianming; Kellogg, Richard M.

    In THF solution, NaBH4 in the presence of (S)-(-)-1-(2-chlorophenyl)-2,2-dimethylpropane-1,3-diol together with 2-chlorobenzoic acid reduced propiophenone to 1-phenylpropan-1-ol in up to 40% enantiomeric excess (ee). Only 21% ee was obtained without an added acid. (R)-(-)-butane-1,3-diol and

  2. SYNTHESIS, CRYSTAL AND MOLECULAR-STRUCTURES, UV-VIS SPECTROSCOPY AND ELECTROCHEMICAL PROPERTIES OF 2 IRON(III) PHENOLATE COMPLEXES

    NARCIS (Netherlands)

    LUBBEN, M; MEETSMA, A; VANBOLHUIS, F; FERINGA, BL; HAGE, R

    The synthesis and molecular structures of two iron(III) phenolate complexes [(L(1))FeCl] (1) and [(L(2))(2)Fe][BPh(4)] (2) are described, where L(1)H(2) is 2,3-dimethyl-2,3-bis(3-tert-butylsalicylideneamino) butane and L(2)H is 2-(2-pyridyl)-1-salicylideneaminoethane. The complexes have been

  3. Branched chain aldehydes: production and breakdown pathways and relevance for flavour in foods

    NARCIS (Netherlands)

    Smit, B.A.; Engels, W.J.M.; Smit, G.

    2009-01-01

    Branched aldehydes, such as 2-methyl propanal and 2- and 3-methyl butanal, are important flavour compounds in many food products, both fermented and non-fermented (heat-treated) products. The production and degradation of these aldehydes from amino acids is described and reviewed extensively in

  4. Combustion and Energy Transfer Experiments: A Laboratory Model for Linking Core Concepts across the Science Curriculum

    Science.gov (United States)

    Barreto, Jose C.; Dubetz, Terry A.; Schmidt, Diane L.; Isern, Sharon; Beatty, Thomas; Brown, David W.; Gillman, Edward; Alberte, Randall S.; Egiebor, Nosa O.

    2007-01-01

    Core concepts can be integrated throughout lower-division science and engineering courses by using a series of related, cross-referenced laboratory experiments. Starting with butane combustion in chemistry, the authors expanded the underlying core concepts of energy transfer into laboratories designed for biology, physics, and engineering. This…

  5. Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)

    DEFF Research Database (Denmark)

    Beltoft, Vibe Meister; Nørby, Karin Kristiane

    on metabolism and toxicity. The present consideration concerns a group of 28 furan-substituted compounds evaluated by the JECFA. This revision of FGE.67 is due to new data on toxicity for 3-(-methyl-2-furyl) butanal [FL-no: 13.058] providing an appropriate NOAEL for the evaluation of candidate substance [FL...

  6. Melting mechanism in monolayers of flexible rod-shaped molecules

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Taub, H.

    1992-01-01

    The melting of butane and hexane monolayers adsorbed on a graphite basal-plane surface has been studied by molecular-dynamics simulations and experimentally by neutron diffraction. The simulation results are qualitatively consistent with the observed diffraction patterns and suggest a general...

  7. The influence of molecule size and structure on the lubricity of liquids: An experimental study

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Sorenson, Spencer C

    2002-01-01

    to stay liquid. Recently a lubricity test capable of handling DME was developed [1], as well as a volatile fuel viscometer [2]. As a result of this development it has become possible to test the lubricity of small hydrocarbons such as propane and butane as well as liquids with larger molecules...

  8. Hydrocarbon and ammonia chemistry on noble metal surfaces, catalysis on a molecular scale

    NARCIS (Netherlands)

    Weststrate, Cornelis Johannes

    2006-01-01

    The work described in this thesis concerns hydrocarbon and ammonia oxidation on single crystal surfaces of Pt, Rh and Ir. In Chapter3 the oxidation of n-butane and propene on a stepped Pt surface is discussed. In Chapter 4 benzene decomposition and oxidation on Ir(111) is discussed, and in Chapter 5

  9. Download this PDF file

    African Journals Online (AJOL)

    AJTCAM

    cyclohexadiene-1, Phythalic acid, Ethanol, 2-Heptanamine, Alanine, Cyclopentane, Butanal, Eicosane, Squalene, Iron,. Tetradecane, Nonane, Decanal, 2H-Pyran-2-One, Oxirane, n-Hexylmethylamine, 2-Methylaminoethanol, 1,2-Ethanediamine,. Cyclohexadecane, Heptadecene were detected trace amount in G. lucidum.

  10. Molecular and carbon isotopic variability of hydrocarbon gases from mud volcanos in the Gulf of Cadiz, NE Atlantic.

    NARCIS (Netherlands)

    Stadnitskaia, A.; Ivanov, M.K.; Blinova, V.; Kreulen, R.; van Weering, T.C.E.

    2006-01-01

    Investigations of molecular and carbon isotopic variability of hydrocarbon gases from methane through butanes (pentanes) have been performed on six mud volcanoes from two fluid venting provinces located in the Gulf of Cadiz, NE Atlantic. The main aims were to define the basic gas types, to describe

  11. Application of the Quantum Cluster Equilibrium (QCE) model for the liquid phase of primary alcohols using B3LYP and B3LYP-D DFT methods.

    Science.gov (United States)

    Matisz, Gergely; Kelterer, Anne-Marie; Fabian, Walter M F; Kunsági-Máté, Sándor

    2011-04-14

    The Quantum Cluster Equilibrium (QCE) model was applied to the liquid phase for the first few members of the homologous series of unbranched aliphatic primary alcohols, methanol, ethanol, propan-1-ol, and butan-1-ol. Cluster structures and energies were calculated by density functional theory [B3LYP/6-311++G(2d,2p)]. For butan-1-ol the dispersion interaction was also considered with the B3LYP-D method. In agreement with previous findings, cyclic cluster structures are the most probable ones. In addition, weak C-H...O interactions as well as dispersion interactions between the longer alkyl chains were found to be important in the cluster formation. The reliability of the model was assessed by the calculated constant pressure heat capacity (C(p)) values. Larger deviations between theory and experiment were found for higher homologes (propan-1-ol, butan-1-ol) with the B3LYP method. When the B3LYP-D method was applied for butan-1-ol, adequate agreement was found between experimental and calculated C(p) values.

  12. Journal of Chemical Sciences | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences. BIKSHANDARKOILR SRINIVASAN. Articles written in Journal of Chemical Sciences. Volume 128 Issue 11 November 2016 pp 1737-1744 Regular Article. Synthesis, crystal structure and photochemistry of Hexakis(butan-1-aminium) heptamolybdate(VI) tetrahydrate.

  13. A novel triterpenoid carbon skeleton in immature sulphur-rich sediments

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Schouten, S.; Leeuw, J.W. de

    1995-01-01

    A novel S compound, 1,4-bis(2Œ,5Œ,5Œ,8aŒ-tetramethylhexahydrothiochroman)-butane has been detected in several immature S-rich sediments, of which the desulphurized counterpart was unambiguously identified by synthesis of an authentic standard and coinjection experiments. This C skeleton of the S

  14. Suicide by Inhalation of Suffocative Gas

    Directory of Open Access Journals (Sweden)

    Yalçın Büyük

    2005-12-01

    Full Text Available LPG is a by-product of petroleum refining and is a colourless gas with a mild odour. A foul odorant such as ethanethiol is added before commercially presented. LPG is highly flammable and has a high fire and explosive hazard. LPG is commercially available as propane, butane and propane-butane mixtures. Propane is a colourless and odourless flammable gas. Butane is a colourless and flammable gas with a gasoline-like or natural gas odour. Suicide by LPG inhalation was relatively common due to widespread availability of installation systems. Currently suicide by inhalation of these gases is rare due to changing trends, and only a few case reports about death following accidental or intentional inhalation of LPG have been reported recently. Sudden death due to inhalation of these gases in abusers is the most encountered condition. This case report is about a 65 years old man found dead in his bed holding a LPG tube near his mouth and nose. Inhalation of suffocative gas was determined to be the cause of death based on autopsy findings and the scene investigation. This paper discusses the medico-legal approach for this type of intoxication cases. Key words: LPG, butane, propane, suicide, autopsy

  15. Studies of vanadium-phosphorus-oxygen selective oxidation catalysts by sup 31 P and sup 51 V NMR spin-echo and volume susceptibility measurements

    Energy Technology Data Exchange (ETDEWEB)

    Li, Juan.

    1991-10-01

    The purpose of this work is to characterize the vanadium-phosphorous oxide (V-P-O) catalysts for the selective oxidation of n-butane and 1-butene to maleic anhydride. The utility of solid state nuclear magnetic resonance as an analytical tool in this investigation lies in its sensitivity to the electronic environment surrounding the phosphorous and vanadium nuclei, and proximity of paramagnetic species. Spin-echo mapping NMR of {sup 31}p and {sup 51}v and volume magnetic susceptibility measurements were used as local microscopic probes of the presence of V{sup 5+}, V{sup 4+}, V{sup 3+} species in the model compounds: {beta}-VOPO{sub 4}, {beta}-VOPO{sub 4} treated with n-butane/1-butene, (VO){sub 2}P{sub 2}O{sub 7} treated with n-butane/1-butene; and industrial catalysts with P/V (phosphorus to vanadium) ratio of 0.9, 1.0 and 1.1, before and after treatment with n-butane and 1-butene. The NMR spectra provide a picture of how the oxidation states of vanadium are distributed in these catalysts. 73 refs., 32 figs., 8 tabs.

  16. The Economic and Environmental Benefits of Product Substitution for Organic Solvents

    Science.gov (United States)

    1991-05-01

    Hazardous and Solid Waste Amendments of 1984 (HSWA), impose substantial new legal responsibilities on waste generators, treaters , and disposers. HSWA...10 days CO, acetylene, ethane III 100.1000 2.4 - 24 hr benzene, propane , n.butane, iopentane, methyl ethyl ketone, 2-methylpentane, toluene, n

  17. Journal of EEA, VoL23,2006

    African Journals Online (AJOL)

    reaction kinetics for MTBE production are taken from the literature[6,9,10 and 11]. The synthesis of MTBE is selected because it is an exothermic and thermodynamically equilibrium limited process. The difficulties are the existence of minimum boiling azeotropes between. MTBE- methanol, isobutene-methanol and n-butane-.

  18. Role of LPG as an energy substitute in Algeria; Role des G.P.L. comme energie de substitution en Algerie

    Energy Technology Data Exchange (ETDEWEB)

    Boukadoum, Abdelhamid; Houghlaouene, Samir

    2010-09-15

    Algeria is a leader country in LPG industry. The availability of resources and the upstream production development efforts have oriented the large energy choices in terms of domestic market need satisfaction. LPG (propane and butane) plays a massive role in the change towards clean energy (case of LPG versus gas) and towards more practical energy (i.e. the case of bulk propane versus the packed butane, or versus natural gas). [French] L'Algerie est un pays leader dans l'industrie des GPL. La disponibilite des ressources et les efforts de developpement de la production en amont ont oriente les grands choix energetiques en matiere de satisfaction des besoins du marche domestique. En effet, les GPL (propane et butane) jouent un role majeur dans la substitution vers les sources d'energie propres (cas du GPL/C par rapport aux essences) et vers des energies plus commodes (par exemple le cas du propane vrac par rapport au butane conditionne, voire par rapport au gaz naturel).

  19. MEMS-based fuel cells with integrated catalytic fuel processor and method thereof

    Science.gov (United States)

    Jankowski, Alan F [Livermore, CA; Morse, Jeffrey D [Martinez, CA; Upadhye, Ravindra S [Pleasanton, CA; Havstad, Mark A [Davis, CA

    2011-08-09

    Described herein is a means to incorporate catalytic materials into the fuel flow field structures of MEMS-based fuel cells, which enable catalytic reforming of a hydrocarbon based fuel, such as methane, methanol, or butane. Methods of fabrication are also disclosed.

  20. DABCO CONTAINING ACIDIC POLY(IONIC LIQUID): AN EFFICIENT ...

    African Journals Online (AJOL)

    ABSTRACT. 1,4-Diazabicyclo[2.2.2]octane (DABCO) containing acidic poly(ionic liquid) (DAIL) has been prepared via condensation of 1,4-dichloro butane and DABCO, as an efficient acidic catalyst and has been applied in the one-pot preparation of 2,3-dihydroquinazolin-4(1H)-one derivatives. This catalyst has been ...

  1. elementary mechanistic steps and the influence of process variables in isobutane alkylation over H-BEA

    NARCIS (Netherlands)

    Nivarthy, G.S.; He, Y.; Seshan, Kulathuiyer; Lercher, J.A.

    1998-01-01

    Liquid phase conversion of n-butene in excess iso-butane was investigated over zeolite BEA as catalyst in a continuously operated slurry reactor. Single and multiple alkylation and cracking were the main reaction pathways. Only saturated products were observed indicating that hydride transfer

  2. Bull. Chem. Soc. Ethiop. 1999, 13(2)

    African Journals Online (AJOL)

    1999-07-01

    Chemistry Department, University of Ilotin, P.M.B. 1515. Ilorin. Nigeria. (Received July 1, 1999; revised November 29, 1999). ABSTRACT. The catalytic hydrogenolysis of n-butane by alumina-supported osmium derived from chloroosmic acid (H,OsCl,), mononuclear osmium carbonyl (H,Os(CO)J and triosmium dodecarbonyl.

  3. 49 CFR Appendix H to Part 173 - Method of Testing for Sustained Combustibility

    Science.gov (United States)

    2010-10-01

    ... consisting of a block of aluminum alloy or other corrosion-resistant metal of high thermal conductivity is used. The block has a concave well and a pocket drilled to take a thermometer. A small gas jet assembly... accuracy of ±0.1 mL; and (f) Fuel source, butane test fuel. 4. Sampling The sample must be representative...

  4. Fusarium solani pisi cutinase-catalyzed synthesis of polyamides

    NARCIS (Netherlands)

    Stavila, E.; Arsyi, R. Z.; Petrovic, D. M.; Loos, K.

    Polyamides, or nylon, are widely used in fiber and engineering plastic materials, due to their good mechanical and thermal properties. Synthesis of oligomers from nylon-4,10, nylon-6,10, and nylon-8,10 were performed via polycondensation of diamines (1,4-butane-diamine, 1,6-hexanediamine, and

  5. Experimental and theoretical studies on a novel helical architecture ...

    Indian Academy of Sciences (India)

    A novel two-dimensional (2D), layered, helical supramolecular architecture constructed via cooperative hydrogen bond and halogen bonds was synthesized and characterized: [(BMBA)₂(TPB)]n (1) [BMBA= 3-bromo-2-methylbenzoic acid, TPB = 1,2,3,4-tetra-(4-pyridyl)-butane]. Density functional theory (DFT) calculations ...

  6. Nanoparticles of antimony doped tin dioxide as a liquid petroleum gas sensor: effect of size on sensitivity.

    Science.gov (United States)

    Banerjee, Suparna; Bumajdad, Ali; Devi, P Sujatha

    2011-07-08

    The gas sensitivity exhibited by nanoparticles of 1 wt% Pd catalysed antimony doped tin dioxide (ATO) prepared by a citrate-nitrate process is reported here. The reduction of particle size to double the thickness of the charge depletion layer, has resulted in an exceptionally high butane sensitivity and selectivity. The sensitivity and selectivity of ATO particles of different sizes unequivocally proved that reducing the size of particles to below twice the Debye length dimension produces materials with exceptionally high sensitivity and selectivity for sensor applications. The sensitivity of the samples towards 1000 ppm butane varied in the order 98%>55%>47%, for CNP>SP>CP samples having crystallite sizes of the order of 2.4 nm to 18 nm to 25 nm, respectively. The ATO nanoparticles exhibited not only a remarkable increase in gas sensitivity of around 98% towards 1000 ppm butane at 350 °C, but also a preferential selectivity to butane compared to other gases such as CO, CO2, SO2, CH4 and H2. In addition to the exceptionally high sensitivity and selectivity, the developed sensors also exhibited an improved response time and long term stability, which are of paramount importance for practical device development.

  7. The metabolism of mebeverine in man: identification of urinary metabolites by gas chromatography/mass spectrometry.

    Science.gov (United States)

    Kristinsson, J; Snorradóttir, I; Jóhannsson, M

    1994-03-01

    The urinary metabolites of orally administered mebeverine hydrochloride (270 mg) were studied in five healthy volunteers with the aid of gas chromatography/mass spectrometry. Mebeverine, which is an ester of veratric acid and 4-(ethyl-[2-(4-methoxyphenyl)-1-methylethyl]amino)butan-1-ol, was completely hydrolysed to the corresponding acid and alcohol moieties. The acid moiety was subsequently O-demethylated to vanillic acid and isovanillic acid, which in turn were further O-demethylated to protocatechuic acid. The alcohol moiety was O-demethylated to the corresponding phenol 4-(ethyl-[2-(4-hydroxyphenyl)-1-methylethyl]amino)butan-1-ol. In 24 hr, 44% of the dose was accounted for as follows: Veratric acid 32%, vanillic acid 2.7%, isovanillic acid 6.5%, 4-(ethyl-[2-(4-methoxyphenyl)-1-methylethyl]amino)butan-1-ol 0.9% and 4-(ethyl-[2-(4-hydroxyphenyl)-1-methylethyl]amino)butan-1-01 2.1%. Only trace amounts of protocatechuic acid were found in the urine. The results indicated that the metabolites were mostly excreted as conjugates. The total excretion of the acid moiety, unchanged or in the form of metabolites was 97.6%. The corresponding value for the alcohol moiety was 5.5%.

  8. Antibacterial performance of Chlorhexidine acetate treated plain cotton and β-cyclodextrin treated cotton

    NARCIS (Netherlands)

    Amrit, Usha; Nabers, M.G.D.; Agrawal, Pramod; Warmoeskerken, Marinus

    2014-01-01

    Cotton was treated with β-cyclodextrin via a crosslinker 1, 2, 3, 4, butane tetracarboxylic acid. β-cyclodextrin attached cotton and plain cotton was treated with the antimicrobial agent Chlorhexidine acetate. The difference in amount of Chlorhexidine acetate loaded onto the two types of fabrics for

  9. Selective hydrogenation of 1,3-butadiene from crude C{sub 4} cracker stream with a solid catalyst with ionic liquid layer (SCILL). DSC and solubility study

    Energy Technology Data Exchange (ETDEWEB)

    Mangartz, T.; Korth, W.; Kern, C.; Jess, A. [Bayreuth Univ. (Germany). Dept. of Chemical Engineering

    2013-11-01

    In petroleum as well as in fine chemical industry, selective catalytic hydrogenation is an important reaction. The selective hydrogenation of 1,3-butadiene (BD) to butene (trans-,1- and cis-butene) from the crude C4 steam cracker fraction represents one example, but under today's technical conditions undesired butane forms inevitably in relevant amounts. To increase the butene yield, the concept of Solid Catalyst with Ionic Liquid Layer (SCILL) was employed. The SCILL catalyst, in contrast to the uncoated catalyst, yielded a remarkably high selectivity to butenes (S{sub butenes} > 99 %) even at high residence times or at high hydrogen partial pressure. Nearly no butane (S{sub butane} {approx} 0 %) was analytically detected. We expected that due to different solubility, the poorer soluble compounds discharged from the ionic liquid and, thus, caused the shift in selectivity to a great extent. Temperature dependent solubility measurements in the used ionic liquid ([DMIM][DMP]) revealed that the order of increasing solubility is 1,3-butadiene > butenes > butane which matches the assumption. However, since differences in solubility cannot explain this SCILL effect satisfyingly, ionic liquids are expected to affect the surface of the catalyst (side-specific ligand-type effect). Investigations using spectroscopic methods (e.g. FTIR) confirmed this suggestion. (orig.)

  10. elucidating the mechanism of the adsorption of mucin to ...

    African Journals Online (AJOL)

    dcu user

    outersphere mechanism could not be confirmed .This has aroused our interest in probing the electron transfer reaction of the title reaction with a view to assigning a mechanistic pathway. EXPERIMENTAL. All the reagents used were of analytical grade and were used without further purification. Standard solution of butane-1 ...

  11. Untitled

    African Journals Online (AJOL)

    oxydation des ions de vanadium et de l'additif ajouté dans sa composition. Mots clés: promoteur, catalyseur, oxydation, rendement, sélectivité. ABSTRACT. This study concerns catalyticoxidation of butane into maleic anhydride byV-Poxides.

  12. Journal of EEA, Vol. 30, 2013 SIEVE TRAY EFFICIENCY USING ...

    African Journals Online (AJOL)

    dell

    equation of state thermodynamic method of the commercial process ... computational time and machine memory. The model includes ... thermodynamic method → Peng-Robinson equation of state. For the isobutane n-butane system, used were: a feed rate of 0.001 mol/s with bubble point liquid at 1139.4 kPa containing 50.

  13. Compositional Modeling for Optimum Design of Water-Alternating CO2-LPG EOR under Complicated Wettability Conditions

    Directory of Open Access Journals (Sweden)

    Jinhyung Cho

    2015-01-01

    Full Text Available The addition of LPG to the CO2 stream leads to minimum miscible pressure (MMP reduction that causes more oil swelling and interfacial tension reduction compared to CO2 EOR, resulting in improved oil recovery. Numerical study based on compositional simulation has been performed to examine the injectivity efficiency and transport behavior of water-alternating CO2-LPG EOR. Based on oil, CO2, and LPG prices, optimum LPG concentration and composition were designed for different wettability conditions. Results from this study indicate how injected LPG mole fraction and butane content in LPG affect lowering of interfacial tension. Interfacial tension reduction by supplement of LPG components leads to miscible condition causing more enhanced oil recovery. The maximum enhancement of oil recovery for oil-wet reservoir is 50% which is greater than 22% for water-wet reservoir. According to the result of net present value (NPV analysis at designated oil, CO2, propane, and butane prices, the optimal injected LPG mole fraction and composition exist for maximum NPV. At the case of maximum NPV for oil-wet reservoir, the LPG fraction is about 25% in which compositions of propane and butane are 37% and 63%, respectively. For water-wet reservoir, the LPG fraction is 20% and compositions of propane and butane are 0% and 100%.

  14. Degradation of collagen in the bone-resorbing compartment underlying the osteoclast involves both cysteine-proteinases and matrix metalloproteinases

    NARCIS (Netherlands)

    Everts, V.; Delaissé, J. M.; Korper, W.; Niehof, A.; Vaes, G.; Beertsen, W.

    1992-01-01

    The site of action of cysteine-proteinases (CPs) and matrix metalloproteinases (MMPs) in the degradation of bone collagen by osteoclasts was investigated by evaluating the effects of the CP-inhibitor trans-epoxy-succinyl-L-leucylamido (4-guanidino)-butane (E-64) and the MMP-inhibitor

  15. In situ vibrational spectroscopic investigation of C4 hydrocarbon selective oxidation over vanadium-phosphorus-oxide catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Xue, Zhi -Yang [Iowa State Univ., Ames, IA (United States)

    1999-05-10

    n-Butane selective oxidation over the VPO catalyst to maleic anhydride is the first and only commercialized process of light alkane selective oxidation. The mechanism of this reaction is still not well known despite over twenty years of extensive studies, which can partially be attributed to the extreme difficulties to characterize catalytic reactions real-time under typical reaction conditions. In situ spectroscopic characterization techniques such as Infrared spectroscopy and laser Raman spectroscopy were used in the current mechanistic investigations of n-butane oxidation over VPO catalysts. To identify the reaction intermediates, oxidation of n-butane, 1,3-butadiene and related oxygenates on the VPO catalyst were monitored using FTIR spectroscopy under transient conditions. n-Butane was found to adsorb on the VPO catalyst to form olefinic species, which were further oxidized to unsaturated, noncyclic carbonyl species. The open chain dicarbonyl species then experienced cycloaddition to form maleic anhydride. VPO catalyst phase transformations were investigated using in situ laser Raman spectroscopy. This report contains Chapter 1: General introduction; Chapter 2: Literature review; and Chapter 5: Conclusion and recommendations.

  16. Evaluation of TVA-1000B Toxic Vapor Analyzer

    Science.gov (United States)

    2013-05-22

    05-8 Acetonitrile - + + 79-10-7 Acrylic acid + + - 7664-41-7 Ammonia + - + 92-52-4 1,1-biphenyl + - - 84-66-2 Benzenedicaroxylic acid - - - 123...72-8 Butanal - - - 109-74-0 Butanenitrile - - - 71-36-3 1- butanol + + + 124-38-9 Carbon dioxide - - + 75-15-0 Carbon disulfide + - + 630-08-0

  17. 21 CFR 173.350 - Combustion product gas.

    Science.gov (United States)

    2010-04-01

    ... prescribed conditions: (a) The food additive is manufactured by the controlled combustion in air of butane... milliliters of isooctane solvent at a rate up to 30 liters per hour without mechanical loss of solvent. The... apparatus in that order. Ventilation should be provided for the effluent gases which may contain carbon...

  18. The Novel Antihyperglycaemic Action of Hunteria umbellate Seed ...

    African Journals Online (AJOL)

    The present study evaluated the antihyperglycaemic effect and mechanism of action of fractions of the aqueous seed extract of Hunteria umbellata (K. Schum.) Hallier f. (HU) in normal and alloxan-induced hyperglycaemic rats. HU was partitioned in chloroform, acetyl acetate and butan-1-ol to give chloroform fraction (HUc), ...

  19. Oxidative conversion of light alkanes to olefins over alkali promoted oxide catalysts.

    NARCIS (Netherlands)

    Leveles, L.; Fuchs, S.; Fuchs, Stefan; Seshan, Kulathuiyer; Lercher, J.A.; Lefferts, Leonardus

    2002-01-01

    Alkali promoted mixed oxides were studied as catalysts for the oxidative dehydrogenation (ODH) and cracking of butane and propane. Olefin yields as high as 50% were obtained with Li/MgO-based catalysts. Magnesia-based catalysts showed higher activity for olefin production than catalysts based on

  20. Active groups for oxidative activation of C-H bond in C{sub 2}-C{sub 5} paraffins on V-P-O catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Zazhigalov, V.A. [AN Ukrainskoj SSR, Kiev (Ukraine). Inst. Fizicheskoj Khimii

    1998-12-31

    For the first time in scientific literature, in our joint work with Dr. G. Ladwig in 1978 it was established phase portraite of the oxide vanadium-phosphorus system within wide range of P/V ratios from 0.5 to 3.2. Some later those data were confirmed. By investigation of the properties of individual vanadium-phosphorus phases it was also shown that the active component of such catalysts in n-butane oxidation was vanadyl pyrophosphate phase (VO){sub 2}Pr{sub 2}O{sub 7}. From then the conclusion has been evidenced by numerous publications and at present it has been out of doubt practically all over the world. It was hypothized that the unique properties of (VO){sub 2}P{sub 2}O{sub 7} in the reaction of n-butane oxidation could be explained by the presence of paired vanadyl groups and nearness of the distances between neighbouring vanadyl pairs and that between the first and fourth carbon atoms in n-butane molecule. The molecule activation occured at the latter atoms by proton abstraction. A comparison of the results on n-butane and butenes oxidation over vanadyl pyrophosphate allowed to conclude that the paraffin oxidation did not take place due to the molecule dehydrogenation process at the first stage of its conversion. Up to now, more than 100 papers related to paraffins oxidation over vanadyl pyrophosphate and the physico-chemical properties of the catalyst have been published. The process of n-butane oxidation is realized in practice. But still, the question about the nature of active sites of the catalyst and the reaction mechanism remains open and provokes further investigations. The present paper deals with our opinion about the problem and the experimental results supporting it. (orig.)

  1. Volatile carbonylic compounds in downtown Santiago, Chile.

    Science.gov (United States)

    Rubio, María A; Zamorano, Natalia; Lissi, Eduardo; Rojas, Alicia; Gutiérrez, Luis; von Baer, Dietrich

    2006-02-01

    Formaldehyde, acetaldehyde, acetone, propanal, butanal, 2-butenal, 3-methylbutanal, hexanal, benzaldehyde, 2-methylbenzaldehyde, and 2,5-dimethylbenzaldehyde were measured during six spring days at downtown Santiago de Chile. Measurements were performed 24h/day and averaged over three hour periods. The averages of the maxima (ppbv) were, formaldehyde: 3.9+/-1.4; butanal: 3.3+/-3.4; acetaldehyde: 3.0+/-0.9; acetone: 2.4+/-1.0; 2-butenal: 0.56+/-0.52; propanal: 0.46+/-0.21; benzaldehyde: 0.34+/-0.3; 3-butanal: 0.11+/-0.05; hexanal: 0.11+/-0.08; 2-methylbenzaldehyde: 0.08+/-0.05; 2,5-dimethylbenzaldehyde: 0.05+/-0.03. Aliphatic aldehydes (C1-C3) are strongly correlated among them and weakly with primary (toluene) and secondary (ozone plus nitrogen dioxide or PAN) pollutants. In particular, the correlation between acetaldehyde and propanal values remains even if diurnal and nocturnal data are considered separately, indicating similar sources. All these aldehydes present maxima values in the morning (9-12h) and minima at night (0-3h). The best correlation is observed when butanal and 2-butenal data are considered (r=0.99, butanal/2-butenal=6.2). These compounds present maxima values during the 3-6h period, with minima values in the 0-3h period. These data imply a strong pre-dawn emission. Other aldehydes show different daily profiles, suggesting unrelated origins. Formaldehyde is the aldehyde whose concentration values best correlate with the levels of oxidants. The contribution of primary emissions and photochemical processes to formaldehyde concentrations were estimated by using a multiple regression. This treatment indicates that (32+/-16)% of measured values arise from direct emissions, while (79+/-23)% is attributable to secondary formation.

  2. Impacts d’un changement de politiques énergétiques sur les exploitations irriguées : éclairage sur la base d’un échantillon d’exploitations dans le Saiss (Maroc

    Directory of Open Access Journals (Sweden)

    Imane Rais

    2016-10-01

    Full Text Available Au Maroc, le gaz butane est fortement subventionné pour son usage domestique, et est devenu depuis une dizaine d’années une des sources principales d’énergie utilisées pour le pompage de l’eau souterraine dans les exploitations agricoles. Du fait de son coût élevé pour les finances publiques, il est envisagé un arrêt de cette subvention, couplé à une éventuelle subvention à l’investissement en énergie solaire. La présente étude analyse l’impact de scénarios d’évolutions des politiques énergétiques nationales sur des exploitations irrigantes. Ces évolutions possibles de type d’énergie utilisé sont analysées à la fois en termes de rentabilité et selon le point de vue de l’exploitant lui-même. Un ensemble de 18 exploitations, utilisant 4 différents types d’énergie (gasoil, butane, électrique, photovoltaïque, ont été enquêtées dans la plaine du Saiss. Trois scénarios ont été établis : 1 un arrêt de la subvention au butane ; 2 un arrêt de la subvention couplé à une subvention à l’investissement dans l’énergie solaire ; et 3 un arrêt de la subvention butane couplé à une subvention à l’investissement dans l’énergie électrique. Les résultats montrent que, en cas d’arrêt de la subvention sur le butane, la moitié des exploitants utilisant le butane lors de l’étude envisagent de revenir au gasoil. En cas de subvention de 50% des coûts d’installation de l’énergie photovoltaïque, trois quarts des agriculteurs utilisant le butane ou le gasoil changeraient de système. Seule la moitié des exploitations en butane ou gasoil serait intéressée par un passage à l’électrique, même dans le cas d’une forte subvention à l’investissement. La transition vers le photovoltaïque, préférée par les agriculteurs utilisant le butane ou le gasoil, ne sera pas cependant qu’une question de taux de subvention, du fait notamment d’un fort besoin d’appui technique pour

  3. Volatile compounds of Domiati cheese made from buffaloe's milk with different fat content.

    Directory of Open Access Journals (Sweden)

    El-Mageed, Magda A. Abd

    1997-12-01

    Full Text Available Buffaloe's milk was manufactured to Domiati cheese with different fat content in the cheese milk (1%, 3.5% and 7%. Results obtained during the ripening period revealed that the low fat cheese (Karish is not able to long period storage, while half cream cheese had a good quality and flavour along the ripening period. The full cream cheese did not exceed the first month of ripening, then it deteriorated. The main components found were acrolein (propenal, heptanal, acetone, butan-2 one, ethanol, butan-2 ol, 2-methylpropan- 1-ol, 3-methyl butan-1-ol, ethyl propionate, propyl propionate, pentane and octane. Methyl mercaptan, methyl thiopropionate, and dimethyl trisulfide together with propyl butyrate, were existed in the samples which are characterized as bad cheese samples. Most of the previous compounds were developed after 1 month of ripening period.

    La leche de búfalo fue procesada para obtener queso Domiati con diferente contenido graso en la cuajada (1%, 3.5% y 7%. Los resultados obtenidos durante el período de maduración revelaron que el queso con bajo contenido en grasa (Karish no permite un largo período de almacenamiento, mientras que el queso con un contenido medio en grasa tuvo una buena calidad y flavor durante el período de maduración. El queso con alto contenido graso no duró más que el primer mes de maduración, deteriorándose posteriormente. Los principales componentes encontrados fueron acroleína (propenal, heptanal, acetona, butan-2-ona, etanol, butan-2-ol, 2- metil-propan-1-ol, 3 metil butan-1-ol, propionato de etilo, propionate de propilo, pentano y octano. Metil mercaptol, tiopropionato de metilo y trisulfuro de dimetilo Junto con butirato de propilo se encontraron en muestras que fueron caracterizadas como muestras de quesos malos. La mayoría de los compuestos anteriores se produjeron después de un mes de período de maduración.

  4. Distribution of MEG and methanol in well-defined hydrocarbon and water systems: Experimental measurement and modeling using the CPA EoS

    DEFF Research Database (Denmark)

    Riaz, Muhammad; Yussuf, Mustafe A.; Kontogeorgis, Georgios

    2013-01-01

    Liquid-liquid equilibria data for two binary and two ternary systems are reported in the temperature range of 303.15-323.15. K at atmospheric pressure. The binary systems measured are n-nonane + MEG and ethylbenzene + MEG and the ternary systems are n-nonane + MEG + water and ethylbenzene + MEG...... + water. These data are satisfactorily correlated (binaries) and predicted (ternaries) using Cubic Plus Association (CPA) equation of state (EoS). CPA is also applied to binary LLE of aromatic hydrocarbon + water and VLE of methane + methanol. Finally the distribution of water and inhibitors (methanol...... and MEG) in various phases is modeled using CPA. The hydrocarbon phase consists of mixture-1 (methane, ethane, n-butane) or mixture-2 (methane, ethane, propane, n-butane, n-heptane, toluene and n-decane). CPA can satisfactorily predict the water content in the gas phase of the multicomponent systems...

  5. Heat pump cuts energy use

    Energy Technology Data Exchange (ETDEWEB)

    Barnwell, J.; Morris, C.P.

    1982-07-01

    It is shown how energy use can be cut by nearly half by using a heat pump installation in operation of a butane splitter. The technique has been used successfully for separation of other close boiling materials, i.e. ethane/ethylene, propane/propylene, and also for deisohexanizers. Compared to a conventional fractionator, the heat pump increases inside battery limit capital cost for which increase the payout time is less than one year. In this paper the effects of using a heat pump is evaluated as applied to a 35,000 bpsd butane splitter based on three alternative schemes: a conventional fractionation; overhead vapor recompression fractionation; and bottoms flash recompression fractionation. 2 refs.

  6. Responses of Lucilia sericata Meigen (Diptera: Calliphoridae) to cadaveric volatile organic compounds.

    Science.gov (United States)

    Frederickx, Christine; Dekeirsschieter, Jessica; Verheggen, Francois J; Haubruge, Eric

    2012-03-01

    Flies of the Calliphoridae Family are the most forensically important insects because of their abundance on the decedent during the first minutes following death. Necrophagous insects are attracted at a distance by a decomposing body, through the use of volatile chemical cues. We tested the possible attractive role of some volatile organic chemicals (VOCs) released by decaying cadavers, on male and female of Lucilia sericata Meigen (Diptera: Calliphoridae). Two complementary approaches were used. Electroantennography (EAG) allowed identifying the semiochemicals that are detected by the olfactory system of L. sericata. Dose-response tests with EAG showed that dimethyl disulfide (DMDS) and butan-1-ol elicited the highest responses. Behavioral assays showed that, among the VOCs tested, DMDS and butan-1-ol are attractive for L. sericata, while the other VOCs are repulsive or do not cause any behavior. Our results may have potential implications in a better understanding of attractiveness of blowflies toward a corpse. © 2011 American Academy of Forensic Sciences.

  7. Solvothermal synthesis of vanadium phosphates in the form of xerogels, aerogels and mesostructures

    Energy Technology Data Exchange (ETDEWEB)

    Sydorchuk, V.; Zazhigalov, V. [Institute of Sorption and Endoecology, National Academy of Sciences of Ukraine, 13 General Naumov Str., Kyiv 03164 (Ukraine); Khalameida, S., E-mail: svkhal@ukr.net [Institute of Sorption and Endoecology, National Academy of Sciences of Ukraine, 13 General Naumov Str., Kyiv 03164 (Ukraine); Diyuk, E. [Institute of Sorption and Endoecology, National Academy of Sciences of Ukraine, 13 General Naumov Str., Kyiv 03164 (Ukraine); Skubiszewska-Zieba, J.; Leboda, R. [Faculty of Chemistry, Maria Curie-Sklodowska University, Maria Curie-Sklodowska Sq. 3, 20-031 Lublin (Poland); Kuznetsova, L. [Institute of Sorption and Endoecology, National Academy of Sciences of Ukraine, 13 General Naumov Str., Kyiv 03164 (Ukraine)

    2010-09-15

    Regularities and peculiarities of physicochemical changes, first of all phase transformations, during solvothermal treatment (with conventional and microwave heating) of the vanadium pentoxide and orthophosphoric acid mixture in organic solvents in the presence of reducing agents have been studied. Hemihydrate of vanadium hydrophosphate - the precursor of vanadium pyrophosphate, the active phase for n-butane to maleic anhydride oxidation, and ion exchanger with variable physicochemical characteristics, i.e. crystal structure, specific surface area, crystallite size and acidic properties - has been synthesized in the temperature range 170-200 {sup o}C. The obtained phases were examined using XRD, DTA-TG, SEM, FTIR spectroscopy, nitrogen adsorption as well as gas chromatographic determination of acidity through organic bases adsorption. The catalytic activity of prepared samples for n-butane oxidation has been investigated.

  8. Determination of alternative fuels combustion products: Phase 2 final report

    Energy Technology Data Exchange (ETDEWEB)

    Whitney, K.A.

    1997-06-01

    This report describes the laboratory efforts to accomplish four independent tasks: (1) speciation of hydrocarbon exhaust emissions from a light-duty vehicle operated over the chassis dynamometer portion of the light-duty FTP after modifications for operation on butane and butane blends; (2) evaluation of NREL`s Variable Conductance Vacuum Insulated Catalytic Converter Test Article 4 for the reduction of cold-start FTP exhaust emissions after extended soak periods for a Ford FFV Taurus operating on E85; (3) support of UDRI in an attempt to define correlations between engine-out combustion products identified by SwRI during chassis dynamometer testing, and those found during flow tube reactor experiments conducted by UDRI; and (4) characterization of small-diameter particulate matter from a Ford Taurus FFV operating in a simulated fuel-rich failure mode on CNG, LPG, M85, E85, and reformulated gasoline. 22 refs., 18 figs., 17 tabs.

  9. Oxidative dehydrogenation of isobutane over a titanium pyrophosphate catalyst

    Directory of Open Access Journals (Sweden)

    IOAN-CEZAR MARCU

    2005-06-01

    Full Text Available The catalytic properties of titanium pyrophosphate in the oxidative dehydrogenation of isobutane to isobutylene were investigated in the 400 – 550 ºC temperature range. Asignificant change of the product distribution and of the apparent activation energy of the reactionwas observed at about 490 ºC. This phenomenon, already observed in the oxidative dehydrogenation of n-butane, has been interpreted by the existence of two reaction mechanisms depending upon the reaction temperature. Comparison with the n-butane reaction allowed different activation pathways for the activation of alkanes to be proposed. The catalytic properties of TiP2O7 in the oxidative dehydrogenation of isobutane was also compared to those obtained previously with several other pyrophosphates and TiP2O7 was found to be less active and selective for this reaction.

  10. Amines in the marking fluid and anal sac secretion of the tiger, Panthera tigris.

    Science.gov (United States)

    Banks, G R; Buglass, A J; Waterhouse, J S

    1992-01-01

    Analysis of the marking fluid of two tigers (one Bengal and one Sumatran) by GC using an amine-specific column and a nitrogen-specific detector has shown the presence of the following amines: ammonia, methylamine, dimethylamine, trimethylamine, triethylamine, propylamine, and butane-1,4-diamine (putrescine). In contrast to previously published reports, we were unable to detect 2-phenylethylamine. The anal sac secretion was found to have a similar amine content.

  11. (E-4-Phenylbutan-2-one oxime

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2011-09-01

    Full Text Available In the title compound, C10H13NO, the C—C—C—C torsion angle formed between the benzene ring and the butan-2-one oxime unit is 73.7 (2°, with the latter lying above the plane through the benzene ring. In the crystal, intermolecular O—H...N hydrogen bonds link pairs of molecules into dimers, forming R22(6 ring motifs which are stacked along the a axis.

  12. Synthesis, crystal and molecular structures, UV–Vis spectroscopy and electrochemical properties of two iron(III) phenolate complexes

    NARCIS (Netherlands)

    Lubben, Marcel; Meetsma, Auke; Bolhuis, Fré van; Feringa, Bernard

    1994-01-01

    The synthesis and molecular structures of two iron(III) phenolate complexes [(L1)FeCl] (1) and [(L2)2Fe][BPh4] (2) are described, where L1H2 is 2,3-dimethyl-2,3-bis(3-tert-butylsalicylideneamino)butane and L2H is 2-(2-pyridyl)-1-salicylideneaminoethane. The complexes have been characterized by

  13. Exergy Analysis of a Reactive Distillation MTBE Unit

    OpenAIRE

    Garcia, M.; Ricardo Rivero

    2001-01-01

    In this paper application of exergy analysis to the reactive distillation system of a Methyl TerButyl Ether (MTBE) production unit of a crude oil refinery is presented. In a refinery, the MTBE is obtained from methanol, and butanes (isobutylenes) produced in the fluidized catalytic cracking (FCC) unit. The reactives (isobutylenes) after purification are introduced to the main reaction system, the products of which are sent to the reactive distillation system to complete the reaction....

  14. Modulating the solubility of zwitterionic poly((3- methacrylamidopropyl)ammonioalkane sulfonate)s in water and aqueous salt solutions via the spacer group separating the cationic and the anionic moieties

    OpenAIRE

    Hildebrand, Viet; Laschewsky, André; Wischerhoff, Erik

    2015-01-01

    Complementary to the well-established zwitterionic monomer 3-((3-methacrylamidopropyl)dimethylammonio) propane-1-sulfonate (SPP), the closely related monomers 2-hydroxy-3-((3-methacrylamidopropyl) dimethylammonio)propane-1-sulfonate (SHPP) and 4-((3-methacrylamidopropyl)dimethylammonio)-butane-1-sulfonate (SBP) were synthesised and polymerised by reversible addition–fragmentation chain transfer (RAFT) polymerisation, using a fluorophore labeled RAFT agent. The polyzwitterions of systematicall...

  15. Uncertainties in modeling hazardous gas releases for emergency response

    OpenAIRE

    Kathrin Baumann-Stanzer; Sirma Stenzel

    2011-01-01

    In case of an accidental release of toxic gases the emergency responders need fast information about the affected area and the maximum impact. Hazard distances calculated with the models MET, ALOHA, BREEZE, TRACE and SAMS for scenarios with chlorine, ammoniac and butane releases are compared in this study. The variations of the model results are measures for uncertainties in source estimation and dispersion calculation. Model runs for different wind speeds, atmospheric stability and roughness...

  16. A molecular dynamics investigation of the unusual concentration dependencies of Fick diffusivities in silica mesopores

    NARCIS (Netherlands)

    Krishna, R.; van Baten, J.M.

    2011-01-01

    Molecular Dynamics (MD) simulations were carried out to determine the self-diffusivitiy, Di,self, the Maxwell-Stefan diffusivity, Ði, and the Fick diffusivity, Di, for methane (C1), ethane (C2), propane (C3), n-butane (nC4), n-pentane (nC5), n-hexane (nC6), n-heptane (nC7), and cyclohexane (cC6) in

  17. Refining of Military Jet Fuels from Shale Oil. Volume I. Part II. Preparation of Laboratory-Scale Fuel Samples.

    Science.gov (United States)

    1982-03-01

    Sediment and Water BTU British Thermal Unit Degrees Celsius ’ C Carbon or Reteroatom Concentration Cl Methane .. C2 Ethane C3 Propane C3 Propylene...streams. The unsaturated gas plant receives gas from Section 200 and produces fuel gas, a propane /propylene stream, a mixed butane stream and a light...above, comprised the majority of the Task I effort. Pro- cessing studies were provided for the crude shale hydro- treater , FCC, cycle oil hydrotreater

  18. Entwicklung basischer Feststoffkatalysatoren für industrielle Anwendungen

    OpenAIRE

    Meyer, Oliver

    2011-01-01

    Innerhalb dieser Arbeit wurden aus Hydrotalcit-Präkursoren erhaltene Mischoxide mit verschiedenen Kationenkompositionen sowie basische Zeolithe mit Faujasitstruktur auf ihre katalytische Aktivität in der Umesterung von Triglyceriden und in der Aldolkondensation von n-Butanal untersucht. Die Hydrotalcit-Präkursoren wurden hierzu mittels Co-Präzipitation synthetisiert und durch Kalzinierung in die Mischoxide überführt. Die Mischoxide sowie die Hydrotalcite wurden mittels Elementaranalyse, Pulve...

  19. Olfactory Impact of Higher Alcohols on Red Wine Fruity Ester Aroma Expression in Model Solution.

    Science.gov (United States)

    Cameleyre, Margaux; Lytra, Georgia; Tempere, Sophie; Barbe, Jean-Christophe

    2015-11-11

    This study focused on the impact of five higher alcohols on the perception of fruity aroma in red wines. Various aromatic reconstitutions were prepared, consisting of 13 ethyl esters and acetates and 5 higher alcohols, all at the average concentrations found in red wine. These aromatic reconstitutions were prepared in several matrices. Sensory analysis revealed the interesting behavior of certain compounds among the five higher alcohols following their individual addition or omission. The "olfactory threshold" of the fruity pool was evaluated in several matrices: dilute alcohol solution, dilute alcohol solution containing 3-methylbutan-1-ol or butan-1-ol individually, and dilute alcohol solution containing the mixture of five higher alcohols, blended together at various concentrations. The presence of 3-methylbutan-1-ol or butan-1-ol alone led to a significant decrease in the "olfactory threshold" of the fruity reconstitution, whereas the mixture of alcohols raised the olfactory threshold. Sensory profiles highlighted changes in the perception of fruity nuances in the presence of the mixture of higher alcohols, with specific perceptive interactions, including a relevant masking effect on fresh- and jammy-fruit notes of the fruity mixture in both dilute alcohol solution and dearomatized red wine matrices. When either 3-methylbutan-1-ol or butan-1-ol was added to the fruity reconstitution in dilute alcohol solution, an enhancement of butyric notes was reported with 3-methylbutan-1-ol and fresh- and jammy-fruit with butan-1-ol. This study, the first to focus on the impact of higher alcohols on fruity aromatic expression, revealed that these compounds participate, both quantitatively and qualitatively, in masking fruity aroma perception in a model fruity wine mixture.

  20. Characterization of the phospholipid requirement of a rat liver beta-glucosidase.

    OpenAIRE

    Basu, A; Glew, R H

    1984-01-01

    The lipid requirement of membrane-bound rat liver beta-glucosidase was investigated using 4-methylumbelliferyl-beta-D-glucopyranoside as the substrate. The enzyme was solubilized and delipidated by sequential extraction of a crude lysosomal fraction from rat liver lysosomes with sodium cholate and ice-cold butan-1-ol. Neither saturated nor unsaturated phosphatidylcholine activated this enzyme. In contrast, acidic phospholipids like phosphatidylglycerol (PtdGro) and phosphatidylserine (PtdSer)...

  1. heptamolybdate(VI) tetrahydrate

    Indian Academy of Sciences (India)

    salt by Lindqvist.33 It is interesting to note that the pre- sence of lattice water in 1 is in accordance with our .... 1a and not the butan-1-aminium salt of (MoO4)2− as reported earlier.10 In order to prepare a pure hepta- .... then dimerizes to the blue bis(μ2-oxo) bridged dihep- tamolybdate1b(Scheme 1) under solar irradiation.

  2. Analysis of Marine Corps Renewable Energy Planning to Meet Installation Energy Security Requirements

    Science.gov (United States)

    2013-12-03

    zero energy status is within reach if Miramar implements the recommended measures, replaces all remaining natural gas with biogas , and completely...Reclaimed Oil FSD Fuel Oil, Distillate Oil FSR Fuel Oil, Residual Oil FSX Fuel Oil, Mixed Gas NAG Natural Gas Gas PPG Propane/LPG/Butane Gas SHW...Year HQMC Headquarters, United States Marine Corps I&L Installations and Logistics kW Kilowatt kWh Kilowatt Hour LFG Landfill Gas MCAS Marine

  3. Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction

    Energy Technology Data Exchange (ETDEWEB)

    Bravo-Perez, Graciela [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)]. E-mail: gbperez@imp.mx; Alvarez-Idaboy, J. Raul [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)]. E-mail: jidaboy@imp.mx; Jimenez, Annia Galano [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico); Cruz-Torres, Armando [Prog. Investig. Medio Ambiente y Seguridad, Instituto Mexicano del Petroleo, Av. Eje Central Lazaro Cardenas 152, 07730, AP 14805 Mexico DF (Mexico)

    2005-04-04

    Reactions of OH with methane, ethane, propane, i-butane, and n-butane have been modeled using ab initio (MP2) and hybrid DFT (BHandHLYP) methods, and the 6-311G(d,p) basis set. Furthermore, single-point calculations at the CCSD(T) level were carried out at the optimized geometries. The rate constants have been calculated using the conventional transition-state theory (CTST). Arrhenius equations are proposed in the temperature range of 250-650 K. Hindered Internal Rotation partition functions calculations were explicitly carried out and included in the total partition functions. These corrections showed to be relevant in the determination of the pre-exponential parameters, although not so important as in the NO{sub 3} + alkane reactions [G. Bravo-Perez, J.R. Alvarez-Idaboy, A. Cruz-Torres, M.E. Ruiz, J. Phys. Chem. A 106 (2002) 4645]. The explicit participation of the tunnel effect has been taken into account. The calculated rate coefficients provide a very good agreement with the experimental data. The best agreement for the overall alkane + OH reactions seemed to occur when the BHandHLYP geometries and partition functions are used. For propane and i-butane, in addition to the respective secondary and tertiary H-abstraction channels, the primary one has been considered. These pathways are confirmed to be significant in spite of the large differences in activation energies between primary and secondary or primary and tertiary channels, respectively of propane and i-butane reactions and should not be disregarded.

  4. Forensic medical evaluation of deaths resulting from inhalation of cigarette lighter refill fuel in Turkey.

    Science.gov (United States)

    Özdemir, Erdinç; Eş, Hüseyin; Demir, Muhammet; Üzün, İbrahim

    2017-01-01

    Voluntary inhalation/abuse of volatile substances is an important public health problem which especially affects adolescent and young populations worldwide and may be encountered in all socioeconomic and cultural levels. Lighter gas abuse-related death is still an important health problem in Turkey. In this study, 25,265 case files and final reports submitted to the Institute of Forensic Medicine of the First Specialization Board between January 2011 and December 2015 were evaluated retrospectively. In 56 of these cases, lighter gas inhalation (n-butane, propane, isobutane) was recorded as the cause of death. All subjects were male with a mean age of 16.8years. According to eyewitness and crime scene investigation reports, in 48 (85.7%) of the cases, a lighter refill container was found at the scene. It was determined that 21.4% of the cases used a plastic bag to increase the effects of lighter gas and 76.8% inhaled the lighter gas via their mouth and nose. The toxicological analysis of the samples taken while hospitalized showed no lighter refill components (n-butane, propane, isobutane) in 66% of the cases, n-butane in 32.1% of the cases, and n-butane+propane+isobutane in 1.9% of the cases. The importance of lighter gas inhalation-related deaths in Turkey has been increasing. Strict measures against the abuse of these very dangerous substances should be undertaken by the mutual efforts of medical specialists and legislators. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  5. EPA/Navy CERCLA Remedial Action Technology Guide

    Science.gov (United States)

    1993-11-01

    abilityto dischargethe liquids to a POTW is a function of the composting may affect hypersensitive workers (8). quantity of liquids, the quality of the...liquefied hydrocarbon gases such as Original Sediments 4,500 ppm propane and butane as solvents for separating organic contaminants from soils, sludges, and...using natural gas or propane ) to reach a temperature necessary to initiate the Purpose catalytic oxidation of the VOCs. Then the preheated VOC- laden

  6. Combustion Characteristics of Sprays

    Science.gov (United States)

    1989-08-01

    regarded by implication or otherwise, or in any way licensing the holder or any other person or corporation, or conveying any rights or permission to...00 _’N 1. TI TLE inctuat Security CZaaafication5 Combustion Characteristics of Sprays 12. PERSONAL AUTHOR(S) Sohrab, Siavash H. 13& TYPE OF REPORT...to ?!HF of rich butane/air 3unsen flames. .lso, the rotacion speed and :he oerodic temDeracure fluc:uations of rotacfng ?HF are examined. :’!naily

  7. Heterogeneously Catalyzed Endothermic Fuel Cracking

    Science.gov (United States)

    2016-08-28

    of tars over zeolites and nickel supported zeolites,” Energy Fuels, 24:2707-2715 (2010). 6. Q. Wang and H. Fan and S. Wu and Z. Zhang and P. Zhang... flame ionization detector (FID) and another with a thermal conductivity detector (TCD). The FID was utilized to measure hydrocarbon species with 1-7...PAH formation. The LLNL kinetic mechanism was designed to model aromatic and PAH formation for fuel-rich, n-butane/oxygen/argon atmospheric flames

  8. Propene concentration sensing for combustion gases using quantum-cascade laser absorption near 11 μm

    KAUST Repository

    Chrystie, Robin

    2015-05-29

    We report on a strategy to measure, in situ, the concentration of propene (C3H6) in combustion gases using laser absorption spectroscopy. Pyrolysis of n-butane was conducted in a shock tube, in which the resultant gases were probed using an extended cavity quantum-cascade laser. A differential absorption approach using online and offline wavelengths near λ = 10.9 μm enabled discrimination of propene, cancelling the effects of spectral interference from the simultaneous presence of intermediate hydrocarbon species during combustion. Such interference-free measurements were facilitated by exploiting the =C–H bending mode characteristic to alkenes (olefins). It was confirmed, for intermediate species present during pyrolysis of n-butane, that their absorption cross sections were the same magnitude for both online and offline wavelengths. Hence, this allowed time profiles of propene concentration to be measured during pyrolysis of n-butane in a shock tube. Time profiles of propene subsequent to a passing shock wave exhibit trends similar to that predicted by the well-established JetSurF 1.0 chemical kinetic mechanism, albeit lower by a factor of two. Such a laser diagnostic is a first step to experimentally determining propene in real time with sufficient time resolution, thus aiding the refinement and development of chemical kinetic models for combustion. © 2015 Springer-Verlag Berlin Heidelberg

  9. A new method of cannabis ingestion: the dangers of dabs?

    Science.gov (United States)

    Loflin, Mallory; Earleywine, Mitch

    2014-10-01

    A new method for administering cannabinoids, called butane hash oil ("dabs"), is gaining popularity among marijuana users. Despite press reports that suggest that "dabbing" is riskier than smoking flower cannabis, no data address whether dabs users experience more problems from use than those who prefer flower cannabis. The present study aimed to gather preliminary information on dabs users and test whether dabs use is associated with more problems than using flower cannabis. Participants (n=357) reported on their history of cannabis use, their experience with hash oil and the process of "dabbing," reasons for choosing "dabs" over other methods, and any problems related to both flower cannabis and butane hash oil. Analyses revealed that using "dabs" created no more problems or accidents than using flower cannabis. Participants did report that "dabs" led to higher tolerance and withdrawal (as defined by the participants), suggesting that the practice might be more likely to lead to symptoms of addiction or dependence. The use of butane hash oil has spread outside of the medical marijuana community, and users view it as significantly more dangerous than other forms of cannabis use. Published by Elsevier Ltd.

  10. Identification of a Male-Produced Pheromone Component of the Citrus Longhorned Beetle, Anoplophora chinensis.

    Science.gov (United States)

    Hansen, Laura; Xu, Tian; Wickham, Jacob; Chen, Yi; Hao, Dejun; Hanks, Lawrence M; Millar, Jocelyn G; Teale, Stephen A

    2015-01-01

    The Asian wood-boring beetle Anoplophora chinensis (Forster) (Coleoptera: Cerambycidae) is an important pest of hardwood trees in its native range, and has serious potential to invade other areas of the world through worldwide commerce in woody plants and wood products. This species already has been intercepted in North America, and is the subject of ongoing eradication efforts in several countries in Europe. Attractants such as pheromones would be immediately useful as baits in traps for its detection. Because long-range pheromones are frequently conserved among closely related species of cerambycids, we evaluated two components of the volatile pheromone produced by males of the congener A. glabripennis (Motschulsky), 4-(n-heptyloxy)butan-1-ol and 4-(n-heptyloxy)butanal, as potential pheromones of A. chinensis. Both compounds subsequently were detected in headspace volatiles from male A. chinensis, but not in volatiles from females. Only 4-(n-heptyloxy)butanol elicited responses from beetle antennae in coupled gas chromatography-electroantennogram analyses, and this compound attracted adult A. chinensis of both sexes in field bioassays. These data suggest that 4-(n-heptyloxy)butan-1-ol is an important component of the male-produced attractant pheromone of A. chinensis, which should find immediate use in quarantine monitoring for this pest.

  11. Analysis of volatiles in meat from Iberian pigs and lean pigs after refrigeration and cooking by using SPME-GC-MS.

    Science.gov (United States)

    Estévez, Mario; Morcuende, David; Ventanas, Sonia; Cava, Ramón

    2003-05-21

    The volatile compounds generated in meat from Iberian and lean pigs after four different treatments (raw, refrigerated, cooked, and refrigerated cooked meat) were analyzed. The different treatments showed different volatile profiles. Methyl alcohols and ketones (such as 2-ethyl-hexan-1-ol, 2-methyl-butan-1-ol, 3-methyl-butan-1-ol, and 3-hydroxy-butan-2-one) were the most representative in refrigerated meat because of the degradation of carbohydrates and proteins together with the Strecker degradation pathway. Lipid-derived volatiles were the most abundant in cooked meat and refrigerated cooked meat. Meat from different pig breeds presented different volatile profiles, probably due to different enzymatic and oxidative deterioration susceptibility. Otherwise, the fat content and its compositional characteristics also played an important role in the generation of volatiles. As compared to samples from lean pigs, muscles from Iberian pigs showed a higher content of heme iron that may have promoted the generation of higher content of total lipid-derived volatiles during the refrigeration of cooked meat. Despite that, the formation of volatiles with low thresholds and related to intense rancidity perception likely to be derived from polyunsaturated fatty acids was higher in lean pork than in meat from Iberian pigs. This might be expected to lead to a more intense development of a warmed over flavor during refrigeration of cooked samples from lean pigs.

  12. LPG Dependence after a Suicide Attempt

    Directory of Open Access Journals (Sweden)

    Ebru Aldemir

    2015-01-01

    Full Text Available Inhalant abuse is a problem that is getting more common all around the world. The increase in prevalence of inhalant abuse escalates morbidity and mortality rates. About 22% of people using inhalant have died at their first attempt. Particularly propane, butane, or propane-butane mixture has highest mortality rates. Sudden sniffing death syndrome, cardiomyopathy, central nervous system toxicity, hematological abnormalities, kidney toxicity, and hepatocellular toxicities are the major complications of inhalant abuse. Herein we present a patient with inhalant use disorder. At the age of 19, after a stressful life event he had unsuccessfully tried to suicide by inhaling LPG (liquefied petroleum gas, a mixture of butane and propane gases. After he realized that he had hallucinations and felt better during the inhalation, he started to abuse it. He was addicted to LPG for 10 years at the time of admission. Besides being dangerous for the society security, this intense level of LPG inhalation (12 liters a day not giving any physical harm makes this case interesting.

  13. New trends in the kitchen: propellants assessment of edible food aerosol sprays used on food.

    Science.gov (United States)

    Varlet, V; Smith, F; Augsburger, M

    2014-01-01

    New products available for food creations include a wide variety of "supposed" food grade aerosol sprays. However, the gas propellants used cannot be considered as safe. The different legislations available did not rule any maximum residue limits, even though these compounds have some limits when used for other food purposes. This study shows a preliminary monitoring of propane, butane and dimethyl ether residues, in cakes and chocolate after spraying, when these gases are used as propellants in food aerosol sprays. Release kinetics of propane, butane and dimethyl ether were measured over one day with sprayed food, left at room temperature or in the fridge after spraying. The alkanes and dimethyl ether analyses were performed by headspace-gas chromatography-mass spectrometry/thermal conductivity detection, using monodeuterated propane and butane generated in situ as internal standards. According to the obtained results and regardingthe extrapolations of the maximum residue limits existing for these substances, different delays should be respected according to the storage conditions and the gas propellant to consume safely the sprayed food. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Superacid catalysis of light hydrocarbon conversion. Eleventh quarterly report, April 1, 1996--June 30, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B.C. [California Univ., Davis, CA (United States). Dept. of Chemical Engineering and Materials Science

    1996-12-31

    The new catalyst Fe- and Mn-promoted sulfated zirconia is remarkably active for the low-temperature (even room temperature) isomerization of n-butane to give isobutane in the near absence of side products. Thus this catalyst offers excellent potential for practical application in this process. The catalyst is so active that it even converts smaller alkanes, including propane and ethane. The ethane conversion is orders of magnitude slower than the butane conversion, and the prospects for practical application with ethane are apparently negligible. However, the results for ethane conversion provide strong evidence that the alkane conversions proceed (at least under some conditions) by protonation of the alkane with the catalyst; thus the catalyst is comparable to superacids, and the chemistry is analogous to that occurring in superacid solutions. This insight will be useful in further improvement of the catalyst and the potential process for butane isomerization. The catalyst is active for alkane cracking at temperatures of typically 200-300{degrees}C, and evidence, summarized here, indicates that numerous reactions of alkanes begin as the catalyst protonates the alkane reactant. The kinetics data for this family of reactions fall on a linear compensation effect plot; such data for reactions that do not proceed via such a mechanism do not fall near the line representing the compensation effect. Thus the analysis of the kinetics data provides a good diagnostic tool for understanding the fundamental chemistry of the acid-catalyzed hydrocarbon conversions.

  15. An Integrated Membrane Process for Butenes Production

    Directory of Open Access Journals (Sweden)

    Leonardo Melone

    2016-11-01

    Full Text Available Iso-butene is an important material for the production of chemicals and polymers. It can take part in various chemical reactions, such as hydrogenation, oxidation and other additions owing to the presence of a reactive double bond. It is usually obtained as a by-product of a petroleum refinery, by Fluidized Catalytic Cracking (FCC of naphtha or gas-oil. However, an interesting alternative to iso-butene production is n-butane dehydroisomerization, which allows the direct conversion of n-butane via dehydrogenation and successive isomerization. In this work, a simulation analysis of an integrated membrane system is proposed for the production and recovery of butenes. The dehydroisomerization of n-butane to iso-butene takes place in a membrane reactor where the hydrogen is removed from the reaction side with a Pd/Ag alloys membrane. Afterwards, the retentate and permeate post-processing is performed in membrane separation units for butenes concentration and recovery. Four different process schemes are developed. The performance of each membrane unit is analyzed by appropriately developed performance maps, to identify the operating conditions windows and the membrane permeation properties required to maximize the recovery of the iso-butene produced. An analysis of integrated systems showed a yield of butenes higher than the other reaction products with high butenes recovery in the gas separation section, with values of molar concentration between 75% and 80%.

  16. Mass transfer and adsorption equilibrium study in MFI zeolites: application to the separation of mono and di-branched hydrocarbons in silicalite; Etude et modelisation de l'adsorption et du transfert de matiere dans les zeolithes de structure MFI. Application a la separation des hydrocarbures satures mono et di-branches

    Energy Technology Data Exchange (ETDEWEB)

    Jolimaitre, E.

    1999-11-30

    The aim of this study was to develop a model representing the breakthrough of hydrocarbon mixtures in fixed bed, and to estimate the parameters of this model. Equilibrium isotherms and effective diffusivities of 3-methyl-pentane, isopentane and 2,2-dimethyl-butane in silicalite were measured between 150 and 300 deg. C and for different concentrations, with a linear chromatography technique. Parameter estimation was made by mean of a linear model developed for this work, on which a parameter identifiability study was made. The method used for the parameter identifiability study can be applied to any linear fixed bed model. Experimental single component and mixtures breakthrough curves of 2-methyl-pentane, isopentane and 2,2-dimethyl-butane were then realized at 200 deg. C. Adsorption isotherms and self diffusivities were estimated from single-component curves, using a non linear model of the bed. The non-linear model was also developed and validated during this work. These parameters were injected into the non-linear model to simulate the experimental mixture breakthrough curves. Influence of the velocity variation in the bed and of the diffusion driving-force (Maxwell-Stefan or Fick theory) was studied. Most of the experimental breakthrough curves are correctly predicted by the model, expect for the isopentane-2,2-dimethyl-butane mixture, for which predicted breakthrough time is inferior to experimental values. (author)

  17. Probing the hydrophobic pocket of the active site in the particulate methane monooxygenase (pMMO) from Methylococcus capsulatus (Bath) by variable stereoselective alkane hydroxylation and olefin epoxidation.

    Science.gov (United States)

    Ng, Kok-Yaoh; Tu, Li-Chun; Wang, Yane-Shih; Chan, Sunney I; Yu, Steve S-F

    2008-05-05

    pMMO from M. capsulatus (Bath) oxidizes straight-chain C1-C5 alkanes and alkenes to form their corresponding 2-alcohols and epoxides. According to experiments performed with cryptically chiral ethane and D,L-[2-(2)H(1),3-(2)H(1)]butane, the reactions proceed through the concerted O-atom insertion mechanism. However, when propene and but-1-ene are used as epoxidation substrates, the enantiomeric excesses (ees) of the enzymatic products are only 18 and 37 %, respectively. This relatively poor stereoselectivity in the enzymatic epoxidation presumably reflects low stereochemical differentiation between the re and si faces in the hydrophobic pocket of the active site. Further insights into the reaction mechanism are now provided by studies on trans-but-2-ene, which reveal only the D,L-2,3-dimethyloxirane products, and on cis-but-2-ene, which yield only the meso product. These observations indicate that the enzymatic epoxidation indeed proceeds through electrophilic syn addition. To achieve better facial selectivity, we have also used 3,3,3-trifluoroprop-1-ene as the substrate. The products obtained are 90 % (2S)-oxirane. When 1,1,1-trifluoropropane is the substrate, the hydroxylation at the 2-carbon exhibits an inverse chiral selectivity relative to that seen with normal butane, if we consider the size of the CF(3) group in the fluorinated propane to be comparable to one of the ethyl groups in butane. These experiments are beginning to delineate the factors that influence the orientations of various substrates in the hydrophobic cavity of the active site in the enzyme.

  18. Ten-year chemical signatures associated with long-range transport observed in the free troposphere over the central North Atlantic

    Directory of Open Access Journals (Sweden)

    B. Zhang

    2017-03-01

    Full Text Available Ten-year observations of trace gases at Pico Mountain Observatory (PMO, a free troposphere site in the central North Atlantic, were classified by transport patterns using the Lagrangian particle dispersion model, FLEXPART. The classification enabled identifying trace gas mixing ratios associated with background air and long- range transport of continental emissions, which were defined as chemical signatures. Comparison between the chemical signatures revealed the impacts of natural and anthropogenic sources, as well as chemical and physical processes during long transport, on air composition in the remote North Atlantic. Transport of North American anthropogenic emissions (NA-Anthro and summertime wildfire plumes (Fire significantly enhanced CO and O3 at PMO. Summertime CO enhancements caused by NA-Anthro were found to have been decreasing by a rate of 0.67 ± 0.60 ppbv/year in the ten-year period, due possibly to reduction of emissions in North America. Downward mixing from the upper troposphere and stratosphere due to the persistent Azores-Bermuda anticyclone causes enhanced O3 and nitrogen oxides. The 'd' [O3]/'d' [CO] value was used to investigate O3 sources and chemistry in different transport patterns. The transport pattern affected by Fire had the lowest 'd' [O3]/'d' [CO], which was likely due to intense CO production and depressed O3 production in wildfire plumes. Slightly enhanced O3 and 'd' [O3]/'d' [CO] were found in the background air, suggesting that weak downward mixing from the upper troposphere is common at PMO. Enhancements of both butane isomers were found during upslope flow periods, indicating contributions from local sources. The consistent ratio of butane isomers associated with the background air and NA-anthro implies no clear difference in the oxidation rates of the butane isomers during long transport. Based on observed relationships between non-methane hydrocarbons, the averaged photochemical age of the air masses at

  19. Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism--a gas-phase ab initio study.

    Science.gov (United States)

    Bharadwaj, Vivek S; Vyas, Shubham; Villano, Stephanie M; Maupin, C Mark; Dean, Anthony M

    2015-02-14

    The fumarate addition reaction mechanism is central to the anaerobic biodegradation pathway of various hydrocarbons, both aromatic (e.g., toluene, ethyl benzene) and aliphatic (e.g., n-hexane, dodecane). Succinate synthase enzymes, which belong to the glycyl radical enzyme family, are the main facilitators of these biochemical reactions. The overall catalytic mechanism that converts hydrocarbons to a succinate molecule involves three steps: (1) initial H-abstraction from the hydrocarbon by the radical enzyme, (2) addition of the resulting hydrocarbon radical to fumarate, and (3) hydrogen abstraction by the addition product to regenerate the radical enzyme. Since the biodegradation of hydrocarbon fuels via the fumarate addition mechanism is linked to bio-corrosion, an improved understanding of this reaction is imperative to our efforts of predicting the susceptibility of proposed alternative fuels to biodegradation. An improved understanding of the fuel biodegradation process also has the potential to benefit bioremediation. In this study, we consider model aromatic (toluene) and aliphatic (butane) compounds to evaluate the impact of hydrocarbon structure on the energetics and kinetics of the fumarate addition mechanism by means of high level ab initio gas-phase calculations. We predict that the rate of toluene degradation is ∼100 times faster than butane at 298 K, and that the first abstraction step is kinetically significant for both hydrocarbons, which is consistent with deuterium isotope effect studies on toluene degradation. The detailed computations also show that the predicted stereo-chemical preference of the succinate products for both toluene and butane are due to the differences in the radical addition rate constants for the various isomers. The computational and kinetic modeling work presented here demonstrates the importance of considering pre-reaction and product complexes in order to accurately treat gas phase systems that involve intra and inter

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

    Science.gov (United States)

    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.

  1. Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation.

    Science.gov (United States)

    Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen

    2013-06-01

    Two polyoxometallate-based compounds, tris[1,1'-(butane-1,4-diyl)bis(1H-imidazol-3-ium)] bis[tetracosa-μ2-oxido-dodecaoxido-μ12-phosphato-dodecamolybdenum(VI)], (C10H16N4)3[PMo12O40]2, (I), and 1,1'-(butane-1,4-diyl)bis(1H-imidazol-3-ium) 1-[4-(1H-imidazol-1-yl)butyl]-1H-imidazol-3-ium tetracosa-μ2-oxido-dodecaoxido-μ12-phosphato-dodecamolybdenum(VI) dihydrate, (C10H16N4)(C10H15N4)[PMo12O40]·2H2O, (II), were synthesized by hydrothermal techniques at different pH values. The stoichiometric ratio between the polyoxometallate (POM) anions and organic cations is 2:3 in (I), with one of the cations lying on an inversion centre. The doubly protonated 1,1'-(butane-1,4-diyl)diimidazole (BIM) cations are linked to the [PMo12O40](3-) anions by hydrogen bonds to form a three-dimensional supramolecular network. The stoichiometric ratio of POM anions and organic cations is 1:2 in (II), and the anion is located about a centre of inversion. The partly protonated BIM cations and solvent water molecules form hydrogen bonds with the [PMo12O40](3-) anions, yielding a two-dimensional supramolecular layer. The different lattice architectures of (I) and (II) may be governed by the ratio between the POM anions and organic cations, which, in turn, is determined by the pH value.

  2. Examination of DFT and TDDFT Methods II

    Science.gov (United States)

    Wang, Yi-Gui

    2009-09-01

    We investigated the isomerization energies for C8 alkanes (n-octane and 2,2,3,3-tetra-methyl butane) and 1-X-propenes (X = CH3, F, Cl, Br) and the excited states for tropolone. The recently implemented TDDFT gradients enabled us to optimize the adiabatic excited-state structures and to obtain wave function files for excited-state electron density analyses with 25 functionals. The dispersion interactions had been found to be important for predicting the isomerization energies for n-octane and 2,2,3,3-tetra-methyl butane and for cis- and trans-1-X-propenes (X = CH3, F, Cl, Br). B3LYP failed to predict the isomerization energies for the first case but succeeded for the latter. We noticed that the integrated electron density and the merging contour values in the electron density difference plots were related to the isomerization energies; the DFT functionals (LSDA, BHandH, VSXC, and M052X) that could correctly account for the dispersion forces produced a greater electron density response for 2,2,3,3-tetramethyl butane than n-octane. Although the faster proton transfer reaction rate in the Ã1B2 excited state relative to the X˜1A1 ground state of tropolone could be reproduced only by M052X, the three newly designed functionals (BMK, CAM-B3LYP, and M052X) apparently performed better than other DFT functionals. The C-C' bond lengths of the Cs symmetry excited state were possibly underestimated by DFT methods; the underestimation of C-C' bond lengths contributed to the high proton transfer barriers in the Ã1B2 excited state of tropolone.

  3. Estimation of lower flammability limits of C-H compounds in air at atmospheric pressure, evaluation of temperature dependence and diluent effect.

    Science.gov (United States)

    Mendiburu, Andrés Z; de Carvalho, João A; Coronado, Christian R

    2015-03-21

    Estimation of the lower flammability limits of C-H compounds at 25 °C and 1 atm; at moderate temperatures and in presence of diluent was the objective of this study. A set of 120 C-H compounds was divided into a correlation set and a prediction set of 60 compounds each. The absolute average relative error for the total set was 7.89%; for the correlation set, it was 6.09%; and for the prediction set it was 9.68%. However, it was shown that by considering different sources of experimental data the values were reduced to 6.5% for the prediction set and to 6.29% for the total set. The method showed consistency with Le Chatelier's law for binary mixtures of C-H compounds. When tested for a temperature range from 5 °C to 100 °C, the absolute average relative errors were 2.41% for methane; 4.78% for propane; 0.29% for iso-butane and 3.86% for propylene. When nitrogen was added, the absolute average relative errors were 2.48% for methane; 5.13% for propane; 0.11% for iso-butane and 0.15% for propylene. When carbon dioxide was added, the absolute relative errors were 1.80% for methane; 5.38% for propane; 0.86% for iso-butane and 1.06% for propylene. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Dehidroisomerización de n-butano sobre catalizadores bifuncionales tipo Al-MCM-41 y Ga-MCM-41 impregnados con Pt o Ga

    Directory of Open Access Journals (Sweden)

    Dino Brisigotti

    2006-05-01

    Full Text Available A series of bi-functional catalysts was prepared by using Al-MCM-41 and Ga-MCM-41 with Si/Me ratios of 15 and 50 impregnated with 0,5 Wt% of Pt or Ga. The n-butane dehydroisomerization was studied at 773 K. Catalysts based on Pt/Al-MCM-41 were less selective (more hydrogenolyzing than those based on Ga-MCM-41. For the latter, Ga species segregated to extra-framework positions might exercise a kind of geometric effect on the Pt clusters inhibiting hydrogenolysis. The catalyst Ga/Al-MCM-41 showed the closest approach to the ideal dehydroisomerization catalyst.

  5. A micro heater platform with fluid channels for testing micro-solid oxide fuel cell components

    OpenAIRE

    Jiang, Bo; Muralt, Paul; Heeb, Peter; Santis-Alvarez, Alejandro J.; Nabavi, Majid; Poulikakos, Dimos; Niedermann, Philippe; Maeder, Thomas

    2012-01-01

    Micro-scale solid oxide fuel cell is a promising power generation technology for portable devices such as laptop, medical devices and personal electronics. One of the key goals in design of μ-SOFC systems is to use common hydrocarbon fuels such as propane/butane, which requires an additional micro-scale gas-processing unit (GPU) to reform the fuel, avoiding the coking on the μ-SOFC membranes. However, no integrated micro-fabricated testing platform has been reported for evaluating the stabili...

  6. Benchmark thermochemistry of the C_nH_{2n+2} alkane isomers (n=2--8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria

    OpenAIRE

    Karton, Amir; Gruzman, David; Martin, Jan M. L.

    2009-01-01

    The thermochemistry of linear and branched alkanes with up to eight carbons has been reexamined by means of W4, W3.2lite and W1h theories. `Quasi-W4' atomization energies have been obtained via isodesmic and hypohomodesmotic reactions. Our best atomization energies at 0 K (in kcal/mol) are: 1220.04 n-butane, 1497.01 n-pentane, 1774.15 n-hexane, 2051.17 n-heptane, 2328.30 n-octane, 1221.73 isobutane, 1498.27 isopentane, 1501.01 neopentane, 1775.22 isohexane, 1774.61 3-methylpentane, 1775.67 di...

  7. Modification of the performance of WO3-ZrO2 catalysts by metal addition in hydrocarbon reactions

    Directory of Open Access Journals (Sweden)

    Gerardo Carlos Torres

    2012-01-01

    Full Text Available A study of the different hydrocarbon reactions over Ni doped WO3-ZrO2 catalysts was performed. Ni was found as NiO at low Ni concentration while at high Ni concentrations a small fraction was present as a metal. For both cases, Ni strongly modified total acidity and concentration of strong acid sites. In the cyclohexane dehydrogenation reaction, Ni addition promotes both benzene and methyl cyclopentane production. The hydroconversion activity (n-butane and n-octane increases with the augment of total acidity produced by Ni. The selectivity to reaction products is modified according to the acid strength distribution changes produced by Ni addition.

  8. Cosmic ray tests of a 4.6 m-long test drift chamber for JLC

    CERN Document Server

    Kurihara, Y; Sudo, S; Abe, T; Fujii, K; Ishihara, N; Khalatyan, N; Matsui, T; Nitoh, O; Ohama, T; Okuno, H; Sugiyama, A; Takahashi, K; Watanabe, T; Yoshida, T

    2000-01-01

    Performance of a 4.6 m-long drift chamber filled with a CO sub 2 iso-butane (90:10) mixture was studied using cosmic-ray data, in the course of detector R and D for JLC. After correcting the data for wire displacements due to gravitational and electrostatic forces, a spatial resolution of 100 mu m per wire was achieved over the full length of the chamber. The relation between wire efficiency and oxygen remnant in the chamber gas is also discussed.

  9. Enhanced gas sensing of Au nanocluster-doped or -coated zinc oxide thin films

    Science.gov (United States)

    Socol, G.; Axente, E.; Ristoscu, C.; Sima, F.; Popescu, A.; Stefan, N.; Mihailescu, I. N.; Escoubas, L.; Ferreira, J.; Bakalova, S.; Szekeres, A.

    2007-10-01

    We demonstrated that doping or covering with Au nanoclusters boosts gas sensing effectiveness of optical metal oxide sensors. The sensing response of pulsed laser deposited ZnO films as sensing element was tested by m-line technique for low concentration (1000ppm) of butane in environmental N2. The optical interrogation was performed for three types of coatings: undoped ZnO, undoped ZnO structures partially covered with Au nanoclusters, or obtained from Au (0.5wt%) doped ZnO targets. Nanocluster coating tripled the sensitivity, while doping resulted in an increase of up to 45% as compared with simple structures.

  10. Purification and characterization of a major glycoprotein in rat hepatoma plasma membranes. One of the membrane proteins released by phosphatidylinositol-specific phospholipase C.

    OpenAIRE

    Ikehara, Y; Hayashi, Y; Ogata, S; Miki, A; Kominami, T

    1987-01-01

    A major glycoprotein of rat hepatoma plasma membranes was selectively released as a soluble form by incubating the membrane with phosphatidylinositol-specific phospholipase C. The soluble form corresponding to the glycoprotein was also prepared by butan-1-ol extraction of microsomal membranes at pH 5.5, whereas extraction at pH 8.5 yielded an electrophoretically different form with a hydrophobic nature. The soluble glycoprotein extracted at pH 5.5 was purified by sequential chromatography on ...

  11. High-resolution mid-IR spectrometer based on frequency upconversion

    DEFF Research Database (Denmark)

    Hu, Qi; Dam, Jeppe Seidelin; Pedersen, Christian

    2012-01-01

    We demonstrate a novel approach for high-resolution spectroscopy based on frequency upconversion and postfiltering by means of a scanning Fabryx2013;Perot interferometer. The system is based on sum-frequency mixing, shifting the spectral content from the mid-infrared to the near-visible region al......-frequency 1064xA0;nm laser. We investigate water vapor emission lines from a butane burner and compare the measured results to model data. The presented method we suggest to be used for real-time monitoring of specific gas lines and reference signals....

  12. Perfluorocarbons and their use in Cooling Systems for Semiconductor Particle Detectors

    CERN Document Server

    Vacek, V; Ilie, S; Lindsay, S

    2000-01-01

    We report on the development of evaporative fluorocarbon cooling for the semiconductor pixel and micro-strip sensors of inner tracking detector of the ATLAS experiment at the future CERN Large Hadron Collider (LHC). We proceeded with studies using perfluoro-n-propane (3M-"PFG 5030"; C3F8), perfluoro-n-butane (3M-"PFG 5040"; C4F10), trifluoro-iodo-methane (CF3I) and custom C3F8/C4F10 mixtures. Certain thermo-physical properties had to be verified for these fluids.

  13. 4,6-Dichloro-2-((E-{4-[(E-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methylphenol

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title compound, C18H16Cl4N2O2, comprises half of a potentially tetradentate Schiff base ligand. It is located about a twofold rotation axis that bisects the central C—C bond of the butane-1,4-diamine group. There are two intramolecular O—H...N hydrogen bonds making S(6 ring motifs. In the crystal, molecules are linked by pairs of weak C—H...Cl interactions, forming inversion dimers, which are further connected by C—H...O hydrogen bonds into two-dimensional frameworks that lie parallel to (001.

  14. Highly efficient resistive plate chambers for high rate environment

    CERN Document Server

    Cwiok, M; Górski, M; Królikowski, J

    1999-01-01

    The full scale prototype of an inverted double gap RPC module for ME-1/1 station of the CMS detector was tested in the gamma irradiation facility at the CERN SPS muon beam. The chamber made of medium resistivity bakelite and filled with "green gas" mixture of C /sub 2/H/sub 2/F/sub 4//iso-butane/SF/sub 6/ has wide efficiency plateau and good timing properties when operated in avalanche mode under continuous irradiation with strong /sup 137/Cs source for rates up to about 5 kHz/cm/sup 2//gap. (10 refs).

  15. Synthesis and properties of highly hydrophilic polyurethane based on diisocyanate with ether group

    OpenAIRE

    Kojio, Ken; Mitsui, Yoshitaka; Furukawa, Mutsuhisa

    2009-01-01

    Highly hydrophilic polyurethane elastomers (PUEs) were synthesized from 1,2-bis(isocyanate) ethoxyethane (TEGDI), poly(ethylene oxide-co-propylene oxide) copolyol (EOPO) and 1,4-butane diol/1,1,1-trimethylol propane (75/25) (wt/wt) by a prepolymer method. 4,4′-Diphenylmethane diisocyanate (MDI)-based PUEs were synthesized as a control as well. Fourier transform infrared spectroscopy (FT-IR) and differential scanning calorimetry (DSC) measurements revealed that the degree of microphase separat...

  16. Modification of the performance of WO{sub 3}-ZrO{sub 2} catalysts by metal addition in hydrocarbon reactions

    Energy Technology Data Exchange (ETDEWEB)

    Torres, Gerardo Carlos; Manuale, Debora Laura; Benitez, Viviana Monica; Vera, Carlos Roman; Yori, Juan Carlos, E-mail: jyori@fiq.unl.edu.ar [Instituto de Investigaciones en Catalisis y Petroquimica, Facultad de Ingenieria Quimica, Universidad Nacional del Litoral, Consejo Nacional de Investigaciones Cientifica y Tecnicas, Santiago del Estero Santa Fe (Argentina)

    2012-07-01

    A study of the different hydrocarbon reactions over Ni doped WO{sub 3}-ZrO{sub 2} catalysts was performed. Ni was found as NiO at low Ni concentration while at high Ni concentrations a small fraction was present as a metal. For both cases, Ni strongly modified total acidity and concentration of strong acid sites. In the cyclohexane dehydrogenation reaction, Ni addition promotes both benzene and methyl cyclopentane production. The hydroconversion activity (n-butane and n-octane) increases with the augment of total acidity produced by Ni. The selectivity to reaction products is modified according to the acid strength distribution changes produced by Ni addition. (author)

  17. A novel triterpenoid carbon skeleton in immature sulphur-rich sediments

    Science.gov (United States)

    Schouten, Stefan; Sinninghe Damsté, Jaap S.; de Leeuw, Jan W.

    1995-03-01

    A novel S compound, 1,4-bis(2',5',5',8a'-tetramethylhexahydrothiochroman)-butane has been detected in several immature S-rich sediments, of which the desulphurized counterpart was unambiguously identified by synthesis of an authentic standard and coinjection experiments. This C skeleton of the S compound, 1,10-bis(2',2',6'-trimethylcyclohexyl)-3,8-dimethyldodecane(I), has not been reported yet in any sediment or organism. We suggest that it may be biosynthesized through an enzymatic cyclization reaction of squalene (II), which shows similarities with the biosynthesis of β,β-carotene (III) from lycopene (IV).

  18. Discovery of novel indazole-linked triazoles as antifungal agents.

    Science.gov (United States)

    Park, Joon Seok; Yu, Kyung A; Kang, Tae Hee; Kim, Sunghoon; Suh, Young-Ger

    2007-06-15

    The in vitro and in vivo activities of a series of (2R,3R)-2-(2,4-difluorophenyl)-3-(substituted indazol-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol as potential antifungal agents are described. In particular, the analog 12j having 5-bromo substitution on the indazole ring exhibited significant antifungal activity against a variety of fungal cultures (Candida spp. and Aspergillus spp.). In addition, oral administration of 12j showed its excellent efficacy against Candida albicans in a murine infection model and the significantly improved survival rates of the infected mice.

  19. Equilibrium phase compositions, phase densities, and interfacial tensions for CO/sub 2/ + hydrocarbon systems; CO/sub 2/ + n-tetradecane

    Energy Technology Data Exchange (ETDEWEB)

    Gasem, K.A.M.; Dickson, K.B.; Dulcamara, P.B.; Nagarajan, N.; Robinson, R.L. (Oklahoma State Univ., Stillwater, OK (USA). School of Chemical Engineering)

    1989-04-01

    Experimental vapor-liquid phase compositions, phase densities, and interfacial tensions are presented for CO/sub 2/ + n-tetradecane at 160 {sup 0}F and pressures from 1000 psia to the critical point (interfacial tensions as low as 0.01 mN/m). These data, in combination with their previously reported results for CO/sub 2/ + n-butane and CO/sub 2/ + n-decane, provide useful information on the effects of molecular size on the behavior of CO/sub 2/ + n-paraffin systems.

  20. Energy Conversion and Combustion Sciences

    Science.gov (United States)

    2013-03-08

    History and Recent Progress 10 1 10 2 10 3 10 4 10 2 10 3 10 4 JetSURF 2.0 Ranzi mechanism comlete, ver 1201 methyl palmitate (CNRS) Gasoline (Raj et...al) 2-methyl alkanes (LLNL) Biodiesel (LLNL) before 2000 2000-2004 2005-2009 since 2010 iso- octane (LLNL) iso- octane (ENSIC-CNRS) n-butane (LLNL...heptane (LLNL) skeletal iso- octane (Lu & Law) skeletal n-heptane (Lu & Law) 1,3-Butadiene DME (Curran) C1-C3 (Qin et al) GRI3.0 N um be r of r ea

  1. Selectivity of Ni-Cu and Pt-Au alloys in reactions of butanol and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Van Der Burg, A.; Doornbos, J.; Kos, N.J.; Ultee, W.J.; Ponec, V.

    1978-09-01

    Experiments on the rates and product distributions of the reactions of cyclopentanone, 1-butanol, and 1-butanal with hydrogen on unsupported 0-100% nickel/copper alloys and silica-supported gold, platinum, 14% Pt/Au, and 98% Pt/Au showed that the addition of copper to nickel and gold to platinum had only a small effect on the hydrogenation and dehydrogenation activity of the catalyst but inhibited the intermolecular and intramolecular dehydration of 1-butanol to olefins and ethers. An analysis of these and available data suggested that the dehydration selectivity is controlled by the availability of ensembles of active sites. The surface mechanism is discussed.

  2. Structural elucidation, optical, magnetic and nonlinear optical properties of oxystyryl dyes

    Science.gov (United States)

    Koleva, Bojidarka B.; Stoyanov, Stanimir; Kolev, Tsonko; Petkov, Ivan; Spiteller, Michael

    2009-01-01

    Structure, magnetic and optical properties of tetraphenylborate salts of 2,5-[1-methyl-4-[2-(4-hydroxyphenyl)ethenyl]piridinium]-propane and butane are performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV-vis and fluorescence methods, HPLC tandem ESI mess spectrometry (MS/MS), 1H, 13C and 1H- 1H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are used for performing of the structures, optical and nonlinear optical properties of the studied compounds.

  3. Nuclear magnetic resonance study of alkane conformational statistics.

    Science.gov (United States)

    Burnell, E Elliott; Weber, Adrian C J; de Lange, Cornelis A; Meerts, W Leo; Dong, Ronald Y

    2011-12-21

    NMR spectra of ethane, propane, and n-butane as solutes in the nematic liquid crystals 4-n-pentyl-4(')-cyanobiphenyl (5CB) and Merck ZLI 1132 (1132) are investigated over a wide temperature range. The ratios of dipolar couplings of ethane to propane are constant over the entire temperature range. Assuming that this constancy applies to the butane conformers facilitates the separation of probability from order parameter. This separation allows the investigation of conformational distribution without the need of invoking any model for the anisotropic intermolecular potential. The results give an order matrix that is consistent with that predicted from model potentials that describe the orientational potential in terms of short-range size and shape effects. The isotropic intermolecular potential contribution to the trans-gauche energy difference E(tg) is found to be temperature dependent with the values and variation in agreement with that found when the same results are analyzed using the chord model for anisotropic interactions [A. C. J. Weber and E. E. Burnell, Chem. Phys. Lett. 506, 196 (2011)]. The fit obtained for 9 spectra in 5CB (63 dipolar couplings) has an RMS difference between experimental and calculated dipolar couplings of 2.7 Hz, while that for the 16 spectra in 1132 (112 couplings) is 6.2 Hz; this excellent fit with nine adjustable parameters suggests that the assumption of equal temperature dependencies of the order parameters for ethane, propane, and each conformer of butane is correct. Also the fit parameters (E(tg) and the methyl angle increase) obtained for 1132 and 5CB agree. The results indicate that the chord model, which was designed to treat hydrocarbon chains, is indeed the model of choice for these chains. The temperature variation of E(tg) provides a challenge for theoreticians. Finally, even better fits to the experimental dipolar couplings are obtained when the energy in the Boltzmann factor is used for scaling ethane to butane results

  4. Performance enhancement of organic photovoltaic cells through nanostructuring and molecular doping

    OpenAIRE

    Yu, Shuwen

    2015-01-01

    Die vorliegende Arbeit beschäftigt sich mit der Leistungssteigerung organischer Solarzellen durch Änderung der Geometrie an der Donor-Akzeptor Grenzfläche und dem Einstellen der elektronischen Eigenschaften von Grenzflächen durch molekulares p-Dotieren. Kristalline und gleichmäßige Nanosäulen aus dem organischen Halbleiter Pentazen wurden durch glancing angle deposition (GLAD) hergestellt, die einen ineinandergreifenden Heteroübergang zu Methanofulleren [6,6]-Phenyl-C61-Butansäure Methylest...

  5. In situ laser Raman spectroscopy during sequential oxidizing and reducing conditions for a vanadium-phosphorous-oxide catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Soejarto, A. D.; Schrader, G. L. [Iowa State Univ. of Science and Technology, Ames, IA (United States). Dept. of Chemical Engineering; Coulston, G. W. [Dupont Central Research and Development, Wilmington, DE (United States)

    1996-10-01

    A vanadium-phosphorous-oxide (VPO) catalyst was studied by in situ laser Raman spectroscopy for n-butane oxidation to maleic anhydride. Raman characterization during steady-state flow revealed the presence of (VO){sub 2}P{sub 2}O{sub 7}. Sequential oxidizing and reducing conditions were explored at 350 degrees C and 400 degrees C. These unsteady-state operations showed that the formation of V(5+) phases was enhanced during oxidizing conditions, while Raman bands increased during reducing conditions, the latter due to the presence of (VO){sub 2}P{sub 2}O{sub 7}. 16 refs., 2 tabs. 6 figs.

  6. Emisi Gas Buang Kendaraan Bermotor Berbahan Bakar Gas Cair (Lgv) Dan Pertamax Pada Kondisi Uji Awal Dingin Dan Panas

    OpenAIRE

    Prawoto, Prawoto

    2011-01-01

    Liquid Gas Vehicle (LGV) is one of an alternative hydrocarbon fuel, which is the dominant composition are propane and butane, and now is already available in the market. With low sulfur content and high octane number, theoritically vehicle emissions using LGV are better than gasoline. But it is need a good mixture ratio of air to LGV (AFR) in the gas mixer before enter to the engine. This paper describes a study that compared emission test results from gasoline engine using LGV with standard ...

  7. EMISI GAS BUANG KENDARAAN BERMOTOR BERBAHAN BAKAR GAS CAIR (LGV) DAN PERTAMAX PADA KONDISI UJI AWAL DINGIN DAN PANAS

    OpenAIRE

    Prawoto, Prawoto

    2016-01-01

    Liquid Gas Vehicle (LGV) is one of an alternative hydrocarbon fuel, which is the dominant composition are propane and butane, and now is already available in the market. With low sulfur content and high octane number, theoritically vehicle emissions using LGV are better than gasoline. But it is need a good mixture ratio of air to LGV (AFR) in the gas mixer before enter to the engine. This paper describes a study that compared emission test results from gasoline engine using LGV with standard ...

  8. Two new norphenylpropanoid glucosides and hemipholin from the flowers of Ononis vaginalis

    OpenAIRE

    Abdel-Kader, Maged S.

    1997-01-01

    The butanol extract of the flowers of Ononis vaginalis Vahl. Symb. afforded two new norphenylpropanoid glucosides, 1-b-D-glucopyranosyl-2-(4-hydroxyphenyl) (E)-ethene (trans-vaginoside), 1-b-D-glucopyranosyl-2-(4-hydroxyphenyl) (Z)-ethene (cis-vaginoside) as well as the known flavanone C-glucoside, (+)-6-C-b-D-glucopyranosyl (2S) naringenin (hemipholin). The structures of the isolated compounds were established utilizing chemical and spectroscopic methods. Do extrato butanólico das flores ...

  9. Differential diagnosis between occupational chronic intoxication with organic solvents and ethanol abuse by biological markers. Case report and literature review

    Directory of Open Access Journals (Sweden)

    Rascu Agripina

    2016-11-01

    Full Text Available Given the occupational exposure to substances contained in petroleum heated to high temperature, cholestatic liver disease, neurological signs and symptoms can occur. We present a case report of a male patient with no tobacco exposure or alcohol use, but with prolonged occupational exposure to petroleum vapours and natural gases like methane, propane butane who developed liver and neurologic disease, in the absence of protective equipment. Delayed diagnosis was established after 9 years of the first symptoms occurrence. Differential diagnosis with alcoholic etiology was considered and biological biomarkers were useful.

  10. Electricity Generation and the Present Challenges in the Nigerian Power Sector

    Energy Technology Data Exchange (ETDEWEB)

    Sambo, Abubakar Sani; Garba, Bashiru; Zarma, Ismaila Haliru; Gaji, Muhammed Musa

    2010-09-15

    Adequate power supply is an unavoidable prerequisite to any nation's development, and electricity generation, transmission and distribution are capital-intensive requiring huge resources for both funds and capacity. In Nigeria where funds are available and has an estimated of 176 trillion cubic feet of proven natural gas reserves, giving the country one of the top ten natural gas endowments in Africa. Natural gas is a natural occurring gaseous mixture of hydrocarbons gases found in underground reservoirs. It consists mainly of methane (70% - 95%). With small percentage of ethane, butane and other heavier hydrocarbons with some impurities such as water vapour, etc.

  11. Thermal non-oxidative aromatization of light alkanes catalyzed by gallium nitride.

    Science.gov (United States)

    Li, Lu; Mu, Xiaoyue; Liu, Wenbo; Kong, Xianghua; Fan, Shizhao; Mi, Zetian; Li, Chao-Jun

    2014-12-15

    The thermal catalytic activity of GaN in non-oxidative alkane dehydroaromatization has been discovered for the first time. The origin of the catalytic activity was studied experimentally and theoretically. Commercially available GaN powders with a wurtzite crystal structure showed superior stability and reactivity for converting light alkanes, including methane, propane, n-butane, n-hexane and cyclohexane into benzene at an elevated temperature with high selectivity. The catalyst is highly robust and can be used repeatedly without noticeable deactivation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Amorphous Insulator Films With Controllable Properties

    Science.gov (United States)

    Alterovitz, Samuel A.; Warner, Joseph D.; Liu, David C.; Pouch, John J.

    1987-01-01

    In experiments described in report, amorphous hydrogenated carbon films grown at room temperature by low-frequency plasma deposition, using methane or butane gas. Films have unique array of useful properties; (a) adhere to wide variety of materials; (b) contain only carbon and hydrogen; (c) smooth and free of pinholes; (d) resistant to attack by moisture and chemicals; and (e) have high electric-breakdown strength and electrical resistivity. Two of optical properties and hardness of this film controlled by deposition conditions. Amorphous a-C:H and BN films used for hermetic sealing and protection of optical, electronic, magnetic, or delicate mechanical systems, and for semiconductor field dielectrics.

  13. Thermal and photo-induced spin switching dynamics in Fe(II) spin-crossover complexes: tuning the cooperative effects

    OpenAIRE

    Chakraborty, Pradip

    2013-01-01

    During the course of the present thesis, I have studied the thermal and light-induced spin switching dynamics in Fe(II) spin-crossover complexes both in bulk single-crystal form and in nanoparticles form. In the bulk single-crystal form, I have worked with three different classes of spin-crossover complexes, (a) the 2D coordination polymeric network of [Fe(bbtr)3]X2 (where bbtr = [1,4-di (1,2,3-triazol-1-yl) butane] and X= ClO4-, BF4-) and their diluted mixed crystals in the Zn-host matrices;...

  14. Raspberry ketone from submerged cultured cells of the basidiomycete Nidula niveo-tomentosa.

    Science.gov (United States)

    Böker, A; Fischer, M; Berger, R G

    2001-01-01

    The basidiomycete Nidula niveo-tomentosa produced 4-(4-hydroxyphenyl)-butan-2-one (raspberry ketone), one of the character impact components of raspberry flavor, and its corresponding alcohol. A systematic attempt was made to improve the productivity of this fungus. Variation of nutrient medium composition, precursor amount, time of supplementation, and cultivation period yielded a 50-fold increase in metabolite concentrations. Raspberry ketone and alcohol were easily isolated from the culture medium by solvent extraction. Glycosidically bound forms or accumulation of raspberry compounds in fungal cells were not detected. This microbial process offers an alternative for the production of natural raspberry flavor.

  15. Structure of molecules and internal rotation

    CERN Document Server

    Mizushima, San-Ichiro

    1954-01-01

    Structure of Molecules and Internal Rotation reviews early studies on dihalogenoethanes. This book is organized into two parts encompassing 8 chapters that evaluate the Raman effect in ethane derivatives, the energy difference between rotational isomers, and the infrared absorption of ethane derivatives. Some of the topics covered in the book are the potential barrier to internal rotation; nature of the hindering potential; entropy difference between the rotational isomers; internal rotation in butane, pentane, and hexane; and internal rotation in long chain n-paraffins. Other chapters deal wi

  16. Adsorption equilibrium of light hydrocarbon mixtures by monte carlo simulation

    Directory of Open Access Journals (Sweden)

    V. F. Cabral

    2007-12-01

    Full Text Available The procedure presented by Cabral et al. (2003 was used to predict the adsorption of multicomponent mixtures of methane, ethane, propane, and n-butane adsorbed on Silicalite S-115 at 300 K. The methodology employed uses the algorithm of molecular simulation for the grand canonical ensemble as an equation of state for the adsorbed phase. The adsorbent surface is modeled as a two-dimensional lattice in which solid heterogeneity is represented by of two kinds of sites with different adsorption energies. In all cases presented, the simulations described well the adsorption characteristics of the systems.

  17. Composite films purify the natural gas; Les films composites purifient le gaz naturel

    Energy Technology Data Exchange (ETDEWEB)

    Lepetit, V.

    2002-05-01

    American researchers from different universities have developed an ultra-selective polymer membrane made of poly(4-methyl-2-pentyne) (PMP) which can separate methane from the other hydrocarbons (butane and propane) present in the natural gas. This membrane combines the diffusion and the permeability effects to trap the smallest molecules (methane) and to release the biggest ones. The permeability of the membrane has been enhanced by a factor three thanks to the introduction of silica particulates between the polymer chains. Short paper. (J.S.)

  18. Efficacy of eugenol and the methanolic extract of Condalia buxifolia during the transport of the silver catfish Rhamdia quelen

    OpenAIRE

    Becker,Alexssandro Geferson; Cunha,Mauro Alves da; Garcia,Luciano de Oliveira; Zeppenfeld,Carla Cristina; Parodi,Thaylise Vey; Maldaner,Graciela; Morel,Ademir Farias; Baldisserotto,Bernardo

    2013-01-01

    This study evaluated extracts of Condalia buxifolia as anesthetics for the silver catfish Rhamdia quelen. The effectiveness of eugenol and of the methanolic extract (ME) of C. buxifolia during the transport of this species was also assessed. Fish of two different weights (1.50±0.02 g and 165.70±22.50 g) were transferred to aquaria containing water with the C. buxifolia ME or with fractions obtained from the ME, such as the n-hexane, dichloromethane, ethyl acetate, n-butane and aqueou...

  19. Anti-Inflammatory and Anti-Oxidative Activities of Phenolic Compounds from Alnus sibirica Stems Fermented by Lactobacillus plantarum subsp. argentoratensis.

    Science.gov (United States)

    Le, Thi Tam; Yin, Jun; Lee, MinWon

    2017-09-18

    Fermentation of Alnus sibirica (AS) stems using Lactobacillus plantarum subsp. argentoratensis was conducted and three compounds isolated from the Alnus species were identified for the first time, 7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-heptan-3-one, 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-heptan-3-one and 4-(3,4-dihydroxyphenyl)-butan-2-one, along with 14 known compounds. The anti-oxidative and anti-inflammatory abilities of AS and fermented AS (FAS) as well as the isolated phenolic compounds from FAS were investigated. FAS showed stronger anti-oxidative and anti-inflammatory activities than non-fermented AS.

  20. Micro solid oxide fuel cell on the chip. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Stutz, M.; Hotz, N.; Bieri, N.; Poulikakos, D.

    2006-07-01

    The aim of this project is the numerical and experimental investigation of hydrocarbon-to-syngas reforming in micro reformers for incorporation into an entire micro fuel cell system. Numerical simulations are used to achieve deeper understanding of several determining aspects in such a micro reformer. These insights are used to optimize the reforming performance by proper choice of operational and geometrical parameters of a reformer. These numerical results are continued by comprehensive experimental studies. In the first chapter, the effect of wall conduction of a tubular methane micro reformer is investigated numerically. Methane is used as the representative hydrocarbon because its detailed surface reaction mechanism is known. It is found that the axial wall conduction can strongly influence the performance of the microreactor and should not be neglected without a careful a priori investigation of its impact. In the second chapter, the effect of the catalyst amount and reactor geometry on the reforming process was investigated. It was found that the hydrogen selectivity changes significantly with varying catalyst loading. Thus, the reaction path leading to higher hydrogen production becomes more important by increasing the catalyst surface site density on the active surface. Another unexpected result is the presence of optimum channel geometry and optimum catalyst amount. In the third chapter of this project, the capability of flame-made Rh/Ce{sub 0.5}Zr{sub 0.5}O{sub 2} nanoparticles catalyzing the reforming of butane to H{sub 2}- and CO-rich syngas was investigated experimentally in a packed bed reactor. The main goal of this study was the efficient reforming of butane at temperatures between 500 and 600 {sup o}C for a micro intermediate-temperature SOFC system. Our results showed that Rh/Ce{sub 0.5}Zr{sub 0.5}O{sub 2} nanoparticles proved to be a very promising material for butane-to-syngas reforming with complete butane conversion and a hydrogen yield of 77

  1. Production of hydrogen and separation of cycle gases for the liquefaction of coal

    Energy Technology Data Exchange (ETDEWEB)

    Becker, H.; Brauer, O.; Heucke, C.; Lohmueller, R.; Ranke, G.

    1984-03-01

    As with the IG-Farbenindustrie coal-hydrogenation process of the forties, low-temperature processes are now again being considered in industrial-scale coal liquefaction processes. Hydrogen can be generated by gasification of heavy residues and by steam reforming of the ethane fraction. Alternatives to the separation of cycle gas into hydrogen and product gases are butane or methane scrubbing processes and low-temperature condensation at high and medium pressures. These processes additionally use a number of absorption and adsorption stages for gas purification. They have proved successful on an industrial scale and they satisfy the legal requirements of environmental protection.

  2. A Marine Hazardous Substances Data System. Volume 2.

    Science.gov (United States)

    1985-12-01

    CARGOS (CONT’D) 20-DEC-85 * CHEMICAL NAME CHRIS CFR OTHER TLV-TWA SEQ CODE ROUTE PPM NO. TOLUENE 2,4-DI ISOCYANATE TDI 0 . 005 633 TOLUENE...LESS) AAM 0 SKIN 0.3 MG/M3 009 ACRYLIC ACID ACR 0 10 010 N-AMYL ACETATE AML D 100 026 . ASPHALT ASP D 5 MG/M3 036 ASPHALT BLENDING STOCKS: ROOFERS...FLUX ARF D 5 MG/M3 037 ASPHALT BLENDING STOCKS: STRAIGHT RUN RE ASR D 5 MG/M3 03- BUTANE BUT 0 80 052 N-BUTYL ACETATE BCN D 150 053 SEC-BUTYL

  3. Regioselective alkane hydroxylation with a mutant CYP153A6 enzyme

    Science.gov (United States)

    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.

  4. Volatile Profiles of Emissions from Different Activities Analyzed Using Canister Samplers and Gas Chromatography-Mass Spectrometry (GC/MS Analysis: A Case Study

    Directory of Open Access Journals (Sweden)

    Santino Orecchio

    2017-02-01

    Full Text Available The objective of present study was to identify volatile organic compounds (VOCs emitted from several sources (fuels, traffic, landfills, coffee roasting, a street-food laboratory, building work, indoor use of incense and candles, a dental laboratory, etc. located in Palermo (Italy by using canister autosamplers and gas chromatography-mass spectrometry (GC-MS technique. In this study, 181 VOCs were monitored. In the atmosphere of Palermo city, propane, butane, isopentane, methyl pentane, hexane, benzene, toluene, meta- and para-xylene, 1,2,4 trimethyl benzene, 1,3,5 trimethyl benzene, ethylbenzene, 4 ethyl toluene and heptane were identified and quantified in all sampling sites.

  5. Macroseepage of Methane and Light Alkanes at the La Brea Tar Pits in Los Angeles

    Science.gov (United States)

    Doezema, L. A.; Weber, D.; Schuffels, S.; Marquez, A.; Taylor, C.; Raya, P.; Howard, D.; Contreras, P.; Fusco, K.; Morales, F.; Nwachuku, I.

    2015-12-01

    Natural seepage of methane has been theorized to be an underreported source of global methane. Recent studies have also suggested that light alkane flux that is given off in combination with the methane also is underreported in local and global budgets. This study investigated macroseepage, visible seepage, at the La Brea Tar Pits in Los Angeles, CA. More than 100 samples were collected from individual seeps using stainless steel flux chambers and canisters and were analyzed for methane and C2-C5 alkanes using gas chromatography equipped with flame ionization detectors (GC-FID). Maximum hourly fluxes from individual seeps were over 70 g of methane and over 720 mg, 670 mg, 200 mg, 20 mg, 14 mg, and 0.2 mg for ethane, propane, i-butane, n-butane, i-pentane, and n-pentane respectively. In addition to the active seepage sites, a significant amount of methane and light alkanes was also found to come from outgassing from standing tar deposits. Using gas ratios found in this study along with overall methane emission estimates from another recent study, the La Brea Tar Pits were found to be a significant source of light alkanes in the South Coast Air Basin, contributing approximately 2% towards the overall budget.

  6. Highly tunable molecular sieving and adsorption properties of mixed-linker zeolitic imidazolate frameworks.

    Science.gov (United States)

    Eum, Kiwon; Jayachandrababu, Krishna C; Rashidi, Fereshteh; Zhang, Ke; Leisen, Johannes; Graham, Samuel; Lively, Ryan P; Chance, Ronald R; Sholl, David S; Jones, Christopher W; Nair, Sankar

    2015-04-01

    Nanoporous zeolitic imidazolate frameworks (ZIFs) form structural topologies equivalent to zeolites. ZIFs containing only one type of imidazole linker show separation capability for limited molecular pairs. We show that the effective pore size, hydrophilicity, and organophilicity of ZIFs can be continuously and drastically tuned using mixed-linker ZIFs containing two types of linkers, allowing their use as a more general molecular separation platform. We illustrate this remarkable behavior by adsorption and diffusion measurements of hydrocarbons, alcohols, and water in mixed-linker ZIF-8(x)-90(100-x) materials with a large range of crystal sizes (338 nm to 120 μm), using volumetric, gravimetric, and PFG-NMR methods. NMR, powder FT-Raman, and micro-Raman spectroscopy unambiguously confirm the mixed-linker nature of individual ZIF crystals. Variation of the mixed-linker composition parameter (x) allows continuous control of n-butane, i-butane, butanol, and isobutanol diffusivities over 2-3 orders of magnitude and control of water and alcohol adsorption especially at low activities.

  7. Sampling, storage, and analysis of C2-C7 non-methane hydrocarbons from the US National Oceanic and Atmospheric Administration Cooperative Air Sampling Network glass flasks.

    Science.gov (United States)

    Pollmann, Jan; Helmig, Detlev; Hueber, Jacques; Plass-Dülmer, Christian; Tans, Pieter

    2008-04-25

    An analytical technique was developed to analyze light non-methane hydrocarbons (NMHC), including ethane, propane, iso-butane, n-butane, iso-pentane, n-pentane, n-hexane, isoprene, benzene and toluene from whole air samples collected in 2.5l-glass flasks used by the National Oceanic and Atmospheric Administration, Earth System Research Laboratory, Global Monitoring Division (NOAA ESRL GMD, Boulder, CO, USA) Cooperative Air Sampling Network. This method relies on utilizing the remaining air in these flasks (which is at below-ambient pressure at this stage) after the completion of all routine greenhouse gas measurements from these samples. NMHC in sample aliquots extracted from the flasks were preconcentrated with a custom-made, cryogen-free inlet system and analyzed by gas chromatography (GC) with flame ionization detection (FID). C2-C7 NMHC, depending on their ambient air mixing ratios, could be measured with accuracy and repeatability errors of generally storage (<10 pptv yr(-1)) of samples in these glass flasks. Results from flask NMHC analyses were compared to in-situ NMHC measurements at the Global Atmospheric Watch station in Hohenpeissenberg, Germany. This 9-months side-by-side comparison showed good agreement between both methods. More than 94% of all data comparisons for C2-C5 alkanes, isoprene, benzene and toluene fell within the combined accuracy and precision objectives of the World Meteorological Organization Global Atmosphere Watch (WMO-GAW) for NMHC measurements.

  8. Avaliação do potencial anti-hiperglicemiante da Pfaffia glomerata (Spreng. Pedersen (Amaranthaceae Evaluation of antihyperglyicemic potential of Pfaffia glomerata (Spreng. Pedersen (Amaranthaceae

    Directory of Open Access Journals (Sweden)

    Roberto Barbosa Bazotte

    2001-05-01

    Full Text Available As raízes de Pfaffia glomerata (Spreng. Pedersen, conhecida como ginseng brasileiro, são utilizadas na medicina popular como tônico afrodisíaco e antidiabético. O extrato metanólico bruto e suas frações obtidos das raízes foram utilizados para avaliar a atividade anti-hiperglicemiante em ratos da linhagem Wistar. Das quatro frações obtidas do extrato metanólico bruto, o extrato butanólico apresentou maior atividade anti-hiperglicemiante a partir de 50 mg/kg e o seu fracionamento resultou em perda desta atividade. A β-ecdisona identificada no extrato butanólico não está relacionada com a atividade anti-hiperglicemianteThe roots of Pfaffia glomerata (Spreng. Pedersen (Amaranthaceae, commonly known as Brazilian ginseng, are used in folk medicine as a tonic and as an aphrodisiac and antidiabetic medicine. The methanolic extract and its fractions obtained from roots were used to evaluate their antihyperglycemic potential in male Wistar rats. While the methanolic extract yielded four fractions, the butanolic extract had larger antihyperglycemic potential, starting from 50 mg/kg. No activity was shown by its fractionation. The β-ecdisone identified in the butanolic extract is not related with the antihyperglycemic effect

  9. Comparative analysis of two members of the metal ion-containing group III-alcohol dehydrogenases from Dickeya zeae.

    Science.gov (United States)

    Elleuche, Skander; Klippel, Barbara; von der Heyde, Amélie; Antranikian, Garabed

    2013-05-01

    A pair of NAD(+)- and NADP(+)-dependent group III-alcohol dehydrogenases was characterized from the enterobacterium, Dickeya zeae, to expand our understanding of the distribution and biochemical properties of this interesting group of enzymes. Two putative group III-alcohol dehydrogenases (ADHs) were identified in the genome of Dickeya zeae. Amino acid alignments and phylogenetic analysis revealed that Adh3.1 and Adh3.2 are only distantly related (~25 % identity at the protein level). Both proteins were purified to homogeneity after heterologous expression in E. coli. A specific activity of 1.8 U/mg was measured for the NAD(+)-dependent enzyme Adh3.1 with ethanol used as substrate, while NADPH-dependent Adh3.2 preferred butanal (29.1 U/mg) as substrate. Maximum activity for Adh3.1 was at 50 °C and pH 10 and for Adh3.2 at 70 °C and pH 6. Cell viability assays were used to confirm activity towards butanal and glyoxals. Biochemical characterization and phylogenetic analyses led to the hypothesis that Adh3.1 and Adh3.2 are probably the result of an ancient gene duplication event followed by functional diversification.

  10. Drug vaping applied to cannabis: Is "Cannavaping" a therapeutic alternative to marijuana?

    Science.gov (United States)

    Varlet, Vincent; Concha-Lozano, Nicolas; Berthet, Aurélie; Plateel, Grégory; Favrat, Bernard; De Cesare, Mariangela; Lauer, Estelle; Augsburger, Marc; Thomas, Aurélien; Giroud, Christian

    2016-05-26

    Therapeutic cannabis administration is increasingly used in Western countries due to its positive role in several pathologies. Dronabinol or tetrahydrocannabinol (THC) pills, ethanolic cannabis tinctures, oromucosal sprays or table vaporizing devices are available but other cannabinoids forms can be used. Inspired by the illegal practice of dabbing of butane hashish oil (BHO), cannabinoids from cannabis were extracted with butane gas, and the resulting concentrate (BHO) was atomized with specific vaporizing devices. The efficiency of "cannavaping," defined as the "vaping" of liquid refills for e-cigarettes enriched with cannabinoids, including BHO, was studied as an alternative route of administration for therapeutic cannabinoids. The results showed that illegal cannavaping would be subjected to marginal development due to the poor solubility of BHO in commercial liquid refills (especially those with high glycerin content). This prevents the manufacture of liquid refills with high BHO concentrations adopted by most recreational users of cannabis to feel the psychoactive effects more rapidly and extensively. Conversely, "therapeutic cannavaping" could be an efficient route for cannabinoids administration because less concentrated cannabinoids-enriched liquid refills are required. However, the electronic device marketed for therapeutic cannavaping should be carefully designed to minimize potential overheating and contaminant generation.

  11. Drug vaping applied to cannabis: Is “Cannavaping” a therapeutic alternative to marijuana?

    Science.gov (United States)

    Varlet, Vincent; Concha-Lozano, Nicolas; Berthet, Aurélie; Plateel, Grégory; Favrat, Bernard; De Cesare, Mariangela; Lauer, Estelle; Augsburger, Marc; Thomas, Aurélien; Giroud, Christian

    2016-01-01

    Therapeutic cannabis administration is increasingly used in Western countries due to its positive role in several pathologies. Dronabinol or tetrahydrocannabinol (THC) pills, ethanolic cannabis tinctures, oromucosal sprays or table vaporizing devices are available but other cannabinoids forms can be used. Inspired by the illegal practice of dabbing of butane hashish oil (BHO), cannabinoids from cannabis were extracted with butane gas, and the resulting concentrate (BHO) was atomized with specific vaporizing devices. The efficiency of “cannavaping,” defined as the “vaping” of liquid refills for e-cigarettes enriched with cannabinoids, including BHO, was studied as an alternative route of administration for therapeutic cannabinoids. The results showed that illegal cannavaping would be subjected to marginal development due to the poor solubility of BHO in commercial liquid refills (especially those with high glycerin content). This prevents the manufacture of liquid refills with high BHO concentrations adopted by most recreational users of cannabis to feel the psychoactive effects more rapidly and extensively. Conversely, “therapeutic cannavaping” could be an efficient route for cannabinoids administration because less concentrated cannabinoids-enriched liquid refills are required. However, the electronic device marketed for therapeutic cannavaping should be carefully designed to minimize potential overheating and contaminant generation. PMID:27228348

  12. Analyse technico-économique et évaluation de l’impact environnemental de la cuisson solaire directe au Maroc

    Directory of Open Access Journals (Sweden)

    Ndiaga MBODJI

    2017-09-01

    Full Text Available The objective of this study is to present a design methodology, carry out economic analysis and evaluate the environmental impact of direct solar cooking systems in Morocco. To satisfy the energy needs of a 5 people household, consuming a 3 kg meal at noon for a cooking time of 2.5 hours, a parabolic concentrator having a diameter of 1.4 m (useful area of 1.6 m² is required. At the household level, the economic analysis revealed that the payback period of a direct solar cooker compared to butane varies from 4 to 10 years, depending on the rate of public subsidy. Where firewood is used, the payback period varies from 0.6 to 10 years, depending on the stove performance and the firewood price. At the national level, a 50% subsidy of direct solar cookers with a penetration rate of 50% in rural areas requires a budget of 1.61 billion dirhams (1$US=10 Dirhams. This investment will allow the government to save 185 million dirhams a year in butane subsidies reduction, which corresponds to a payback period of about 8.7 years and a total profit of 1.45 billion dirhams over the cookers 15-year lifetime. On the ecological aspect, the area of forest saved would be about 10 000 ha/year, and the annual amount of CO2 emissions avoided would be 1.08 Mt/year.

  13. Advanced liquefaction using coal swelling and catalyst dispersion techniques. Quarterly technical progress report, July--September 1992

    Energy Technology Data Exchange (ETDEWEB)

    Curtis, C.W. [Auburn Univ., AL (United States); Gutterman, C. [Foster Wheeler Development Corp., Livingston, NJ (United States); Chander, S. [Pennsylvania State Univ., University Park, PA (United States)

    1992-12-31

    The experimental study of coal swelling ratios have been determined with a wide variety of solvents. Only marginal levels of coal swelling were observed for the hydrocarbon solvents, but high levels were found with solvents having heteroatom functionality. Blends were superior to pure solvents. The activity of various catalyst precursors for pyrene hydrogenation and coal conversion was measured. Higher coal conversions were observed for the S0{sub 2}-treated coal than the raw coal, regardless of catalyst type. Coal conversions were highest for Molyvan-L, molybdenum naphthenate, and nickel octoate, respectively. Bottoms processing consists of a combination of the ASCOT process coupling solvent deasphalting with delayed coking. Initial results indicate that a blend of butane and pentane used near the critical temperature of butane is the best solvent blend for producing a yield/temperature relationship of proper sensitivity and yet retaining an asphalt phase of reasonable viscosity. The literature concerning coal swelling, both alone and in combination with coal liquefaction, and the use of dispersed or unsupported catalysts in coal liquefaction has been updated.

  14. New Steroidal Erythrityl Triesters from the Heat Processed Roots of Panax ginseng

    Directory of Open Access Journals (Sweden)

    Ill-Min Chung

    2013-01-01

    Full Text Available Two new compounds stigmasta-3α-ol-3α-(2′R,3′S-butane-1′,2′,3′,4′-tetraolyl-2′,3′-dioctadec-9″/9‴-enoyl-4′-octadec-9″″,12″″-dienoate (1 and stigmasta-5-en-3β-ol-3β-(2′R,3′S-butane-1′,2′,3′,4′-tetraolyl-2′,3′-dioctadec-9″/9‴-enoyl-4′-octadec-9″″,12″″-dienoate (2 along with β-sitosterol-β-D-glucoside were isolated and identified from the heat processed roots of Panax ginseng. The structures of the new compounds were elucidated by 1D and 2D NMR (COSY, HSQC, and HMBC spectroscopic techniques aided by FAB-MS, ESI FT/MS, and IR spectra.

  15. Production of 2,3-butanediol from pretreated corn cob by Klebsiella oxytoca in the presence of fungal cellulase

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Ningjun; Xia Youkun; Gong, Cheng, S.; Tsao, G.T. [Purdue Univ., West Lafayette, IN (United States)

    1997-12-31

    A simple and effective method of treatment of lignocellulosic material was used for the preparation of corn cob for the production of 2,3-butane-diol by Klebsiella oxytoca ATCC 8724 in a simultaneous saccharification and fermentation process. During the treatment, lignin, and alkaline extractives were solubilized and separated from cellulose and hemicellulose fractions by dilute ammonia (10%) steeping. Hemicellulose was then hydrolyzed by dilute hydrochloric acid (1%, w/v) hydrolysis at 100{degrees}C at atmospheric pressure and separated from cellulose fraction. The remaining solid, with 90% of cellulose, was then used as the substrate. A butane-diol concentration of 25 g/L and an ethanol concentration of 7 g/L were produced by K. oxytoca from 80 g/L of corn cob cellulose with a cellulose dosage of 8.5 IFPU/g corn cob cellulose after 72 h of SSF. With only dilute acid hydrolysis, a butanediol production rate of 0.21 g/L/h was obtained that is much lower than the case in which corn cob was treated with ammonia steeping prior to acid hydrolysis. The butanediol production rate for the latter was 0.36 g/L/h. 26 refs., 5 figs., 1 tab.

  16. Study on the Application of the Combination of TMD Simulation and Umbrella Sampling in PMF Calculation for Molecular Conformational Transitions

    Directory of Open Access Journals (Sweden)

    Qing Wang

    2016-05-01

    Full Text Available Free energy calculations of the potential of mean force (PMF based on the combination of targeted molecular dynamics (TMD simulations and umbrella samplings as a function of physical coordinates have been applied to explore the detailed pathways and the corresponding free energy profiles for the conformational transition processes of the butane molecule and the 35-residue villin headpiece subdomain (HP35. The accurate PMF profiles for describing the dihedral rotation of butane under both coordinates of dihedral rotation and root mean square deviation (RMSD variation were obtained based on the different umbrella samplings from the same TMD simulations. The initial structures for the umbrella samplings can be conveniently selected from the TMD trajectories. For the application of this computational method in the unfolding process of the HP35 protein, the PMF calculation along with the coordinate of the radius of gyration (Rg presents the gradual increase of free energies by about 1 kcal/mol with the energy fluctuations. The feature of conformational transition for the unfolding process of the HP35 protein shows that the spherical structure extends and the middle α-helix unfolds firstly, followed by the unfolding of other α-helices. The computational method for the PMF calculations based on the combination of TMD simulations and umbrella samplings provided a valuable strategy in investigating detailed conformational transition pathways for other allosteric processes.

  17. Levels and source apportionment of volatile organic compounds in southwestern area of Mexico City

    Energy Technology Data Exchange (ETDEWEB)

    Rodolfo Sosa, E. [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, C.P. 04510, D.F. (Mexico); Humberto Bravo, A. [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, C.P. 04510, D.F. (Mexico)], E-mail: hbravo@servidor.unam.mx; Violeta Mugica, A. [Universidad Autonoma Metropolitana, Azcapotzalco, D.F. (Mexico); Pablo Sanchez, A. [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, C.P. 04510, D.F. (Mexico); Emma Bueno, L. [Centro Nacional de Investigacion y Capacitacion Ambiental, Instituto Nacional de Ecologia (Mexico); Krupa, Sagar [Department of Plant Pathology, University of Minnesota, St. Paul, MN 55108 (United States)

    2009-03-15

    Thirteen volatile organic compounds (VOCs) were quantified at three sites in southwestern Mexico City from July 2000 to February 2001. High concentrations of different VOCs were found at a Gasoline refueling station (GS), a Condominium area (CA), and at University Center for Atmospheric Sciences (CAS). The most abundant VOCs at CA and CAS were propane, n-butane, toluene, acetylene and pentane. In comparison, at GS the most abundant were toluene, pentane, propane, n-butane, and acetylene. Benzene, a known carcinogenic compound had average levels of 28, 35 and 250 ppbC at CAS, CA, and GS respectively. The main contributing sources of the measured VOCs at CA and CAS were the handling and management of LP (Liquid Propane) gas, vehicle exhaust, asphalt works, and use of solvents. At GS almost all of the VOCs came from vehicle exhaust and fuel evaporation, although components of LP gas were also present. Based on the overall results possible abatement strategies are discussed. - Volatile organic compounds were quantified in order to perform their source apportionment in southwestern area of Mexico City.

  18. Isolation and Structure Elucidation of Uncommon Secondary Metabolites from Cistus salviifolius L.

    Directory of Open Access Journals (Sweden)

    Perihan Gürbüz

    2015-01-01

    Full Text Available To our knowledge this is the first report on the isolation of a flavonoid glycoside: quercetin 3-O-α-arabinopyranoside (5, two phenylbutanon glycosides: 4-(4'-O-[6''-O-galloyl-β-galactopyranosyl]-3'-hydroxyphenyl-butan-2-on (8, 4-(3'-O-β-glucopyranosyl-4'-hydroxyphenyl-butan-2-on (9, one phloroglucinol glycoside: 1-O-β-glucopyranosyl-3,5-dimethoxybenzene (10 and a steroid glycoside: sitosterol-3-O-(6''-O-butanoyl-β-galactopyranoside (14 from the Cistus species (Cistaceae. Additional to these compounds three flavonol aglycones: kaempferol (1, quercetin (2, myricetin (3; three flavonoid glycosides; kaempferol 3-O-β-(6''-O-trans-p-coumaroyl-glucopyranoside (4, quercetin 3-O-β-galactopyranoside (6, myricetin 3-O-β-galactopyranoside (7; one phloroglucinol glycoside: 1-O-β-glucopyranosyl-3,5-dimethoxybenzene (11; one steroid aglycone: β-sitosterol (12; one steroid glycoside: Sitosterol-3-O- β-glucopyranoside (13 were isolated from the aerial parts of the Cistus salviifolius L.. Their structures were identified using spectral methods (UV, IR, 1D- and 2D-NMR, and ESI-MS.

  19. Integrated network-diversity analyses suggest suppressive effect of Hodgkin's lymphoma and slightly relieving effect of chemotherapy on human milk microbiome.

    Science.gov (United States)

    Ma, Zhanshan Sam; Li, Lianwei; Li, Wendy; Li, Jie; Chen, Hongju

    2016-07-08

    We aim to investigate the effects of Hodgkin's lymphoma and the chemotherapy for treating the disease on the human milk microbiome through integrated network and community diversity analyses. Our analyses suggest that Hodgkin's lymphoma seems to have a suppressing effect on the milk microbiome by lowering the milk microbial community diversity, as measured by the Hill numbers profiles. Although the diversity analysis did not reveal an effect of chemotherapy on community diversity, bacterial species interaction network analysis shows that chemotherapy may help to slightly restore the milk microbiome impacted by Hodgkin's lymphoma through its influence on the interactions among species (or OTUs). We further constructed diversity-metabolites network, which suggests that the milk microbial diversity is positively correlated with some beneficial milk metabolites such as DHA (DocosaHexaenoic Acid), and that the diversity is negatively correlated with some potentially harmful metabolites such as Butanal. We hence postulate that higher milk microbial diversity should be a signature of healthy mothers and beneficial to infants. Finally, we constructed metabolites OTU correlation networks, from which we identified some special OTUs. These OTUs deserve further investigations given their apparent involvements in regulating the levels of critical milk metabolites such as DHA, Inositol and Butanal.

  20. Integrated network-diversity analyses suggest suppressive effect of Hodgkin’s lymphoma and slightly relieving effect of chemotherapy on human milk microbiome

    Science.gov (United States)

    Ma, Zhanshan (Sam); Li, Lianwei; Li, Wendy; Li, Jie; Chen, Hongju

    2016-01-01

    We aim to investigate the effects of Hodgkin’s lymphoma and the chemotherapy for treating the disease on the human milk microbiome through integrated network and community diversity analyses. Our analyses suggest that Hodgkin’s lymphoma seems to have a suppressing effect on the milk microbiome by lowering the milk microbial community diversity, as measured by the Hill numbers profiles. Although the diversity analysis did not reveal an effect of chemotherapy on community diversity, bacterial species interaction network analysis shows that chemotherapy may help to slightly restore the milk microbiome impacted by Hodgkin’s lymphoma through its influence on the interactions among species (or OTUs). We further constructed diversity-metabolites network, which suggests that the milk microbial diversity is positively correlated with some beneficial milk metabolites such as DHA (DocosaHexaenoic Acid), and that the diversity is negatively correlated with some potentially harmful metabolites such as Butanal. We hence postulate that higher milk microbial diversity should be a signature of healthy mothers and beneficial to infants. Finally, we constructed metabolites OTU correlation networks, from which we identified some special OTUs. These OTUs deserve further investigations given their apparent involvements in regulating the levels of critical milk metabolites such as DHA, Inositol and Butanal. PMID:27386954

  1. Predicting autoignition characteristics of premixed natural gas mixture under lean conditions by using a detailed chemical kinetics model; Kagaku hanno sokudoron wo koryoshita tennen gas kihaku yokongoki no jiko chakka tokusei

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, T.; Ikeda, T.; Kusaka, J.; Daisho, Y. [Waseda University, Tokyo (Japan)

    1998-10-15

    Study was made on autoignition characteristics of natural gas by using a detailed chemical kinetics model. An engine is being watched which is featured by autoignition by compressing homogeneous lean premixture of air and natural gas as clean alternative fuel. However, because natural gas is composed of major methane, and minor ethane, propane and butane, autoignition is difficult, while rapid pressure rise is predicted at autoignition. Intake temperature rise and compression ratio rise bring autoignition timing forward by rising temperature in a cylinder. The effect of an air excess ratio on ignition timing and autoignition region is small under constant intake pressure and smaller air excess ratios, because of the negation between an effect bringing ignition timing forward by increase in fuel concentration and an effect delaying ignition timing by increase in polyatomic molecules in the premixture. Since combustion starts from n-butane, ignition timing is delayed with an increase in methane ratio. Although the feasibility of compressive ignition combustion using the lean premixture was confirmed, measures against excess pressure rise rates are necessary. 7 refs., 8 figs., 3 tabs.

  2. Compressed gas domestic aerosol valve design using high viscous product

    Directory of Open Access Journals (Sweden)

    A Nourian

    2016-10-01

    Full Text Available Most of the current universal consumer aerosol products using high viscous product such as cooking oil, antiperspirants, hair removal cream are primarily used LPG (Liquefied Petroleum Gas propellant which is unfriendly environmental. The advantages of the new innovative technology described in this paper are: i. No butane or other liquefied hydrocarbon gas is used as a propellant and it replaced with Compressed air, nitrogen or other safe gas propellant. ii. Customer acceptable spray quality and consistency during can lifetime iii. Conventional cans and filling technology There is only a feasible energy source which is inert gas (i.e. compressed air to replace VOCs (Volatile Organic Compounds and greenhouse gases, which must be avoided, to improve atomisation by generating gas bubbles and turbulence inside the atomiser insert and the actuator. This research concentrates on using "bubbly flow" in the valve stem, with injection of compressed gas into the passing flow, thus also generating turbulence. The new valve designed in this investigation using inert gases has advantageous over conventional valve with butane propellant using high viscous product (> 400 Cp because, when the valving arrangement is fully open, there are negligible energy losses as fluid passes through the valve from the interior of the container to the actuator insert. The use of valving arrangement thus permits all pressure drops to be controlled, resulting in improved control of atomising efficiency and flow rate, whereas in conventional valves a significant pressure drops occurs through the valve which has a complex effect on the corresponding spray.

  3. Phase behaviour in water/hydrocarbon mixtures involved in gas production systems; etude des equilibres des systemes: eau-hydrocarbures-gaz acides dans le cadre de la production de gaz

    Energy Technology Data Exchange (ETDEWEB)

    Chapoy, A.

    2004-11-15

    Inside wells, natural gases frequently coexist with water. The gases are in equilibrium with the sub-adjacent aquifer. Many problems are associated with the presence of water during the production, transport and processing of natural gases. Accurate knowledge of the thermodynamic properties of the water/hydrocarbon and water-inhibitor/hydrocarbon equilibria near the hydrate forming conditions, at sub-sea pipeline conditions and during the transport is crucial for the petroleum industry. An apparatus based on a static/analytic method combined with a dilutor apparatus to calibrate on the gas chromatograph (GC) detectors with water was used to measure the water content of binary systems (i.e.: water - methane, ethane - water, nitrogen - water...) as well of a synthetic hydrocarbon gas mixture (i.e.: 94% methane, 4% ethane and 2% n-butane) with and without inhibitor. This same apparatus was also used generate data of methane, ethane, propane, n-butane and nitrogen solubility in water and also the solubilities of a synthetic mixture in water. In-house software has been developed in order to fit and model the experimental data. (author)

  4. Novel volatiles of skin-borne bacteria inhibit the growth of Gram-positive bacteria and affect quorum-sensing controlled phenotypes of Gram-negative bacteria.

    Science.gov (United States)

    Lemfack, Marie Chantal; Ravella, Srinivasa Rao; Lorenz, Nicola; Kai, Marco; Jung, Kirsten; Schulz, Stefan; Piechulla, Birgit

    2016-12-01

    The skin microbiota is import for body protection. Here we present the first comprehensive analysis of the volatile organic compound (VOC) profiles of typical skin-resident corynebacterial and staphylococcal species. The VOC profile of Staphylococcus schleiferi DSMZ 4807 was of particular interest as it is dominated by two compounds, 3-(phenylamino)butan-2-one and 3-(phenylimino)butan-2-one (schleiferon A and B, respectively). Neither of these has previously been reported from natural sources. Schleiferon A and B inhibited the growth of various Gram-positive species and affected two quorum-sensing-dependent phenotypes - prodigiosin accumulation and bioluminescence - of Gram-negative bacteria. Both compounds were found to inhibit the expression of prodigiosin biosynthetic genes and stimulate the expression of prodigiosin regulatory genes pigP and pigS. This study demonstrates that the volatile schleiferons A and B emitted by the skin bacterium S. schleiferi modulate differentially and specifically its interactions with members of diverse bacterial communities. A network of VOC-mediated interspecies interactions and communications must be considered in the establishment of the (skin) microbiome and both compounds are interesting candidates for further investigations to better understand how VOCs emitted by skin bacteria influence and modulate the local microbiota and determine whether they are relevant to antibiotic and anti-virulence therapies. Copyright © 2016 Elsevier GmbH. All rights reserved.

  5. CONSEQUENCES OF FAILURE OF GAS NETWORK INFRASTRUCTURE

    Directory of Open Access Journals (Sweden)

    Marek URBANIK

    2016-06-01

    Full Text Available Ecology today is becoming increasingly important. Increasing air pollution and greenhouse gas emissions make the search for such fuels which will not have such a negative effect on the environment as the fuel use currently - mainly coal. At present it seems that the substitute fuel can be gaseous fuels (propane-butane, methane. Their combustion is less harmful to the environment and their transport is relatively not very complicated. As it turns out, the use of gas is increasing in industry, automotive, heating systems (power plants that operate in the so-called cogeneration. The increase in demand carries continuous development of gas infrastructure, which in turn may increase probability of failure. As a conclusion of this article, taking into account all the construction disasters induced by the gas, the number of such failures is relatively small. It should be remembered, that the disaster caused by gas explosion may cause very large material and human losses. Not without significance is the impact of gas leakage, eg. of the pipeline on the environment. An example is the methane which is a greenhouse gas, less persistent in the air, but much more active than CO2. The article presents selected disasters associated with natural gas or propane-butane and the impact of these gases on the environment because these fuels are most commonly used in most sectors of the economy.

  6. Sensors for online determination of CNG gas quality; Sensorer foer onlinebestaemnning av fordonsgaskvalitet

    Energy Technology Data Exchange (ETDEWEB)

    Stenlaaaas, Ola; Roedjegaard, Henrik

    2012-07-01

    Swedish automotive gas has until now been a very uniform, high quality automotive fuel. Elsewhere in Europe the quality of automotive gas varies significantly. Gas from different sources with different flammability require engine settings adjusted to the chosen gas' unique composition. The prospects for a vehicle-mounted sensor based on infrared technology for gas quality measurement has been studied and solutions are presented with questions that must be answered in a possible future work. The proposed vehicle mounted sensor is based on two channels, one of which measures the partial pressure of methane and the other measures the partial pressure of heavier hydrocarbons in 'equivalents of butane'. Ethane produces a signal of about 0.6 equivalents of butane and propane about 0.8 equivalents. The sensor can be accommodated in a cube with 5 cm side and should be equipped with nipple connections to the existing system. The sensor is expected to work throughout their entire lifetime without manual calibration, through continuous automatic calibration, so-called ABC (Automatic Baseline Compensation). The sensor will have to meet tough quality and environmental standards in which primarily contact ring, vibration and prevention of leakage are identified as extra difficult. Working temperatures and the electrical conditions of power supply and communication interface is considered less challenging. In one million volumes, the cost per sensor could be 200 to 300 SEK.

  7. Investigations of the effects of gravitation on gas flames using O{sub 2} solid electrolyte sensors. Final report; Untersuchungen des Gravitationseinflusses auf Gasflammen unter Anwendung von O{sub 2}-Festelektrolyt-Sensoren. Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Rau, H.

    2001-10-01

    The influence of gravitation on the combustion process in laminar diffusion flames was investigated using hydrogen, methane, propane and butane as combustible gases and air as oxidant. Experiments and theoretical studies were carried at varying gravitational forces. A test stand was constructed for the experiments, and oxygen sensors and microthermo-elements were developed which provided quantitative information on the concentration and temperature fields. The theoretical studies comprised the development of concepts which, apart from the commonly used parameters, also took account of gravitation. The models were validated by experimental data. [German] Hauptgegenstand des Forschungsprojektes bildeten Untersuchungen zum Einfluss der Gravitation als aeussere Kraft auf den Verbrennungsprozess in laminaren Diffusionsflammen, die mit unterschiedlichen Brenngasen wie Wasserstoff, Methan, Propan und Butan sowie Luft als Oxidationsmittel betrieben wurden. Die Aufgabe bestand darin, bei sich aendernden Gravitationskraeften sowohl Experimente als auch theoretische Untersuchungen zur Flammenbildung vorzunehmen. Experimentell war dazu ein Versuchsstand aufzubauen, der das sichere Betreiben und Vermessen von Flammen unter den Bedingungen von Fallturmversuchen zuliess. Ueber Messungen mit zu entwickelnden O{sub 2}-Sensoren und Mikrothermoelementen sollten quantitative Aussagen zum Konzentrations- und Temperaturfeld erhalten werden. Theoretisch waren Konzepte zu erarbeiten, die neben den in den Erhaltungsgleichungen sonst ueblichen Groessen auch die Gravitation beruecksichtigten. Die Validierung der Modelle sollte ueber experimentelle Daten erfolgen. (orig.)

  8. Splitting a C-O bond in dialkylethers with bis(1,2,4-tri-t-butylcyclopentadienyl) cerium-hydride does not occur by a sigma-bond metathesis pathway: a combined experimental and DFT computational study

    Energy Technology Data Exchange (ETDEWEB)

    Werkema, Evan; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile; Andersen, Richard

    2010-04-06

    Addition of diethylether to [1,2,4(Me3C)3C5H2]2CeH, abbreviated Cp'2CeH, gives Cp'2CeOEt and ethane. Similarly, di-n-propyl- or di-n-butylether gives Cp'2Ce(O-n-Pr) and propane or Cp'2Ce(O-n-Bu) and butane, respectively. Using Cp'2CeD, the propane and butane contain deuterium predominantly in their methyl groups. Mechanisms, formulated on the basis of DFT computational studies, show that the reactions begin by an alpha or beta-CH activation with comparable activation barriers but only the beta-CH activation intermediate evolves into the alkoxide product and an olefin. The olefin then inserts into the Ce-H bond forming the alkyl derivative, Cp'2CeR, that eliminates alkane. The alpha-CH activation intermediate is in equilibrium with the starting reagents, Cp'2CeH and the ether, which accounts for the deuterium label in the methyl groups of the alkane. The one-step sigma-bond metathesis mechanism has a much higher activation barrier than either of the two-step mechanisms.

  9. Comparison of solvents for extraction of krill oil from krill meal: Lipid yield, phospholipids content, fatty acids composition and minor components.

    Science.gov (United States)

    Xie, Dan; Jin, Jun; Sun, Jiang; Liang, Li; Wang, Xiaosan; Zhang, Wei; Wang, Xingguo; Jin, Qingzhe

    2017-10-15

    The effects of seven different extraction solvents (ethanol, isopropanol, acetone, ethyl acetate, isohexane, n-hexane, and subcritical butane) on the lipid yield and quality of the oil extracted from krill meal were investigated in this study. Phospholipids (PL), fatty acids (FA) composition and minor components including sterols, astaxanthin, vitamin A and tocopherols in the extracted krill oil were analyzed. The results indicated that ethanol and isopropanol led to comparatively higher lipid yields (16.33 and 14.52%, respectively) and PL contents (39.2 and 38.7%, respectively) but lower contents of the minor components than the other solvents. The krill oil extracted with acetone had the lowest PL content (20.63%) but contained more astaxanthin (206.74mg/kg), vitamin A (27.84mg/100g), and sterols (39.00mg/g). Moreover, high levels of n-3 FA were present in the extracts with high PL contents. Further analysis revealed that 23.65-28.10% of eicosapentaenoic acid (EPA) and 16.71-21.03% of docosahexaenoic acid (DHA) were present in the PL, while only 2.83-3.48% of EPA and 1.40-1.74% of DHA were detected in the triacylglycerols (TAG). In addition, subcritical butane proved to be an alternative to n-hexane and isohexane; krill oil extracted with these three solvents had similar qualities. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Propane refrigerators - an environment-friendly technology; Propan-Kaelteanlagen - eine umweltfreundliche Technologie

    Energy Technology Data Exchange (ETDEWEB)

    Volkmer, R. [ISAD, Gesellschaft fuer Informationsmanagement in der Umwelttechnik mbH, Berlin (Germany)

    1996-07-01

    In view of the increasing global environmental problems, it is necessary for the refrigerating industry to take a closer look at halogen-free refrigerants. Hydrocarbons like propan, butane etc. have excellent environmental compatibility characteristics and are suited as long-term alternatives. Propane has the following advantages: - Propane is generally available at low cost; Propane is classified as a substance with 0 water pollution hazard and has no adverse effects on human health; Propane has 0 ozone depletion and does not contribute to global heating. Provided that appropriate safety measures are taken, propane can be recommended for long-term application. (orig.) [Deutsch] Auf Grund der globalen Umweltprobleme (Ozonabbau und Treibhauseffekt) erscheint es angeraten, dass sich die Kaeltebranche verstaerkt dem Einsatz halogenfreier Kaeltemittel zuwendet. Durch ihre ausgezeichnete Umweltvertraeglichkeit bieten sich Kohlenwasserstoffe wie Propan, Butan u.a. als langfristige Alternative an. Die Verwendung von Propan bietet u.a. folgende Vorteile: die uneingeschraenkte und kostenguenstige Verfuegbarkeit; die problemlose Entsorgung; Propan entspricht der Wassergefaehrdungsklasse 0 und ist nicht gesundheitsgefaehrdend; das Ozonabbaupotential (ODP) von Propan betraegt 0 und auch das Treibhauspotential (GWP) ist zu vernachlaessigen. Der Einsatz von Propan und anderer Kohlenwasserstoffe ist aus heutiger Sicht bei Absicherung der notwendigen Sicherheitstechnik unbedenklich und sichert dem Betreiber auch langfristig eine umweltrechtliche Akzeptanz. (orig.)

  11. Hydrogen transfer on USY zeolites during gas oil cracking: Influence of the adsorption characteristics of the zeolite catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Corma, A.; Faraldos, M.; Martinez, A.; Mifsud, A. (CSIC, Madrid (Spain))

    1990-04-01

    In this work, the hydrogen transfer activity of two series of HY zeolites dealuminated by steam and by SiCl{sub 4} (24.47-24.24 {angstrom} unit cell) has been measured from the butene/butane ratio in the products obtained during the cracking of a vacuum gas oil at 756 K. With the steam-dealuminated zeolites, a sharp decrease in the ratio of hydrogen transfer to cracking is observed when the number of Al atoms per unit cell falls below 10. On the other hand, in samples dealuminated by SiCl{sub 4}, this ratio changes very little with dealumination. These results cannot be explained assuming the need for adjacent acid sites for the hydrogen transfer. The authors have found, by adsorption measurements of n-butane and 1-butene, that the changes in the relative rates of bimolecular (hydrogen transfer) to monomolecular (cracking) reactions, observed with dealuminated HY zeolites, can be explained by the changes in the adsorption capacity and adsorption selectivity which occur on zeolites dealuminated at different levels by different dealumination procedures, and which are due to changes in the electric fields inside the pores.

  12. The synthesis and spectroscopic study of stable free radicals related to piperidine-n-oxyl, including a stable bi-radical; Syntheses et etudes spectroscopiques de radicaux libres piperidiniques et d'un biradical stable, du type nitroxyde

    Energy Technology Data Exchange (ETDEWEB)

    Briere, R. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires, Laboratoire de chimie organique physique

    1967-06-01

    A new synthesis of di-tert-butyl nitroxide using the reaction between tert-butyl magnesium chloride and nitro-tert-butane is presented in the first section. Synthesis and investigation of stable free piperidine-N-oxyl radicals are described in the second section. All these nitroxides have been characterised by their I. R., U. V. and E. P. R. absorption spectra. The final section contains a description of the synthesis of a stable bi-radical of the nitroxide type by condensation of 2,2, 6, 6-tetramethyl-piperid-4-one-l-oxyl with hydrazine. (author) [French] La premiere partie expose une nouvelle methode de synthase du di-t-butyl nitroxyde, par action d'halogenures de t-butyl magnesium sur le nitro-t-butane (Rdt maximum 45 pour cert, purete 86 pour cent). Une etude de radicaux. libres stables pipericliniques est faite dans une seconde partie. Ces composes sont obtenus par oxydation de derives de la triacetonamine. Les caracteristiques spectroscopiques ultra-violette, infra-rouge, et paramagnetique electronique de ces radicaux sont donnees. La grande inertie chimique du groupement nitroxyde a permis la syn-these d'un biradical stable par formation d'azine d'une cetone radicalaire, ce qui fait 1'objet de la troisieme partie. (auteur)

  13. iHWG-μNIR: a miniaturised near-infrared gas sensor based on substrate-integrated hollow waveguides coupled to a micro-NIR-spectrophotometer.

    Science.gov (United States)

    Rohwedder, J J R; Pasquini, C; Fortes, P R; Raimundo, I M; Wilk, A; Mizaikoff, B

    2014-07-21

    A miniaturised gas analyser is described and evaluated based on the use of a substrate-integrated hollow waveguide (iHWG) coupled to a microsized near-infrared spectrophotometer comprising a linear variable filter and an array of InGaAs detectors. This gas sensing system was applied to analyse surrogate samples of natural fuel gas containing methane, ethane, propane and butane, quantified by using multivariate regression models based on partial least square (PLS) algorithms and Savitzky-Golay 1(st) derivative data preprocessing. The external validation of the obtained models reveals root mean square errors of prediction of 0.37, 0.36, 0.67 and 0.37% (v/v), for methane, ethane, propane and butane, respectively. The developed sensing system provides particularly rapid response times upon composition changes of the gaseous sample (approximately 2 s) due the minute volume of the iHWG-based measurement cell. The sensing system developed in this study is fully portable with a hand-held sized analyser footprint, and thus ideally suited for field analysis. Last but not least, the obtained results corroborate the potential of NIR-iHWG analysers for monitoring the quality of natural gas and petrochemical gaseous products.

  14. A parametric study of AC electric field-induced toroidal vortex formation in laminar nonpremixed coflow flames

    KAUST Repository

    Xiong, Yuan

    2017-05-02

    This study presents an experimental work investigating the controlling parameters on the formation of an electrically-induced inner toroidal vortex (ITV) near a nozzle rim in small, laminar nonpremixed coflow flames, when an alternating current is applied to the nozzle. A systematic parametric study was conducted by varying the flow parameters of the fuel and coflowing-air velocities, and the nozzle diameter. The fuels tested were methane, ethylene, ethane, propane, n-butane, and i-butane, each representing different ion-generation characteristics and sooting tendencies. The results showed that the fluid dynamic effects on ITV formation were weak, causing only mild variation when altering flow velocities. However, increased fuel velocity resulted in increased polycyclic aromatic hydrocarbon (PAH) formation, which promoted ITV formation. When judging the ITV-formation tendency based on critical applied voltage and frequency, it was qualitatively well correlated with the PAH concentration and the relative location of PAHs to the nozzle rim. The sooting tendency of the fuels did not affect the results much. A change in the nozzle diameter highlighted the importance of the relative distance between the PAH zone and the nozzle rim, indicating the role of local electric-field intensity on ITV formation. Detailed onset conditions, characteristics of near-nozzle flow patterns, and PAH distributions are also discussed.

  15. Highly porous polytriazole ion exchange membranes cast from solutions in non-toxic cosolvents

    KAUST Repository

    Chisca, Stefan

    2017-04-04

    The development of highly functionalized porous materials for protein separation is important for biotech processes. We report the preparation of highly porous polytriazole with sulfonic acid functionalization. The resulting ion exchange membranes are selective for protein adsorption. The starting material was a hydroxyl-functionalized polytriazole, which is an advantageous platform for further modification. The polymer was dissolved in a mixture of 1-ethyl-3-methylimidazolium acetate ([C2mim]OAc) and dimethyl carbonate (DMC), which can be both considered green solvents. The polymer solubilization was only possible due to an interesting effect of cosolvency, which is discussed, based in phase diagrams. Membranes were prepared by solution casting, followed by immersion in a non-solvent bath. We then grafted sulfone groups on the membranes, by reacting the hydroxyl groups with 1,3-propane sultone and 1,4-butane sultone. Lysozyme adsorption was successfully evaluated. Membranes modified with 1,4-butane sultone adsorbed more protein than those with 1,3-propane sultone.

  16. A simulation for predicting potential cooling effect on LPG-fuelled vehicles

    Science.gov (United States)

    Setiyo, M.; Soeparman, S.; Wahyudi, S.; Hamidi, N.

    2016-03-01

    Liquefied Petroleum Gas vehicles (LPG Vehicles) provide a potential cooling effect about 430 kJ/kg LPG consumption. This cooling effect is obtained from the LPG phase change from liquid to vapor in the vaporizer. In the existing system, energy to evaporate LPG is obtained from the coolant which is circulated around the vaporizer. One advantage is that the LPG (70/30 propane / butane) when expanded from 8 bar to at 1.2 bar, the temperature is less than -25 °C. These conditions provide opportunities to evaporate LPG with ambient air flow, then produce a cooling effect for cooling car's cabin. In this study, some LPG mix was investigated to determine the optimum condition. A simulation was carried out to estimate potential cooling effects of 2000 cc engine from 1000 rpm to 6000 rpm. In this case, the mass flow rate of LPG is a function of fuel consumption. The simulation result shows that the LPG (70/30 propane/butane) provide the greatest cooling effect compared with other mixtures. In conclusion, the 2000 cc engine fueled LPG at 3000 rpm provides potential cooling effect more than 1.3 kW, despite in the low engine speed (1000 rpm) only provides about 0.5 kW.

  17. Double C-H bond activation of hydrocarbons by a gas phase neutral oxide cluster: the importance of spin state.

    Science.gov (United States)

    Wang, Zhe-Chen; Yin, Shi; Bernstein, Elliot R

    2013-03-21

    The neutral cluster V2O5 is generated and detected in the gas phase. Its reactivity toward butane is studied both experimentally and theoretically. Experimental results show clearly that neutral V2O5 can react with n-butane (C4H10) to generate V2O5H2, indicating double hydrogen atom transfer from C4H10 to V2O5 to produce C4H8. Further experimental evidence indicates that V2O5 is only partially reacted even at very high concentrations of C4H10. Density functional theory (DFT) studies show that the lowest energy triplet state of V2O5 is reactive toward C4H10, whereas the ground state singlet V2O5 is inert. Calculated results are in agreement with experimental findings, and a detailed reaction mechanism is provided. Reactions of V2O5H2 with several oxidants are also studied theoretically to find a path to regenerate V2O5. Neutral (3)V2O5 can also react with C2H6 to form V2O5H2 and C2H4, but only as a minor reaction channel; the major product is the adsorption product V2O5(C2H6).

  18. Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop

    Energy Technology Data Exchange (ETDEWEB)

    González-Páez, Gonzalo E.; Wolan, Dennis W. (Scripps)

    2012-09-05

    Cysteine protease SpeB is secreted from Streptococcus pyogenes and has been studied as a potential virulence factor since its identification almost 70 years ago. Here, we report the crystal structures of apo mature SpeB to 1.06 {angstrom} resolution as well as complexes with the general cysteine protease inhibitor trans-epoxysuccinyl-L-leucylamido(4-guanidino)butane and a novel substrate mimetic peptide inhibitor. These structures uncover conformational changes associated with maturation of SpeB from the inactive zymogen to its active form and identify the residues required for substrate binding. With the use of a newly developed fluorogenic tripeptide substrate to measure SpeB activity, we determined IC{sub 50} values for trans-epoxysuccinyl-L-leucylamido(4-guanidino)butane and our new peptide inhibitor and the effects of mutations within the C-terminal active site loop. The structures and mutational analysis suggest that the conformational movements of the glycine-rich C-terminal loop are important for the recognition and recruitment of biological substrates and release of hydrolyzed products.

  19. Nanostructured composite TiO{sub 2}/carbon catalysts of high activity for dehydration of n-butanol

    Energy Technology Data Exchange (ETDEWEB)

    Cyganiuk, Aleksandra [Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Torun (Poland); Klimkiewicz, Roman [Institute of Low Temperature and Structure Research PAN, 50-422 Wroclaw (Poland); Bumajdad, Ali [Faculty of Science, Kuwait University, PO Box 5969 Safat, Kuwait 13060 (Kuwait); Ilnicka, Anna [Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Torun (Poland); Lukaszewicz, Jerzy P., E-mail: jerzy_lukaszewicz@o2.pl [Faculty of Chemistry, Nicolaus Copernicus University, 87-100 Torun (Poland)

    2015-08-15

    Highlights: • New biotechnological method for fabrication of composite catalysts. • In situ synthesis of nanosized TiO{sub 2} clusters in the carbon matrix. • High dispersion of TiO{sub 2} in carbon matrix. • High catalytic activity achieved for very low active phase content. • Efficient dehydration of n-butanol to butane-1. - Abstract: A novel method of wood impregnation with titanium ions is presented. Titanium(IV) ions were complexed to peroxo/hydroxo complexes which were obtained by treating a TiCl{sub 4} water solution with H{sub 2}O{sub 2}. The solution of chelated titanium ions was used for the impregnation of living stems of Salix viminalis wood. Saturated stems were carbonized at 600–800 °C, yielding a microporous carbon matrix, in which nanoparticles of TiO{sub 2} were uniformly distributed. A series of composite TiO{sub 2}–carbon catalysts was manufactured and tested in the process of n-butanol conversion to butane-1. The composite catalysts exhibited very high selectivity (ca. 80%) and yield (ca. 30%) despite a low content of titanium (ca. 0.5% atomic). The research proved that the proposed functionalization led to high dispersion of the catalytic phase (TiO{sub 2}), which played a crucial role in the catalyst performance. High dispersion of TiO{sub 2} was achieved due to a natural transport of complexed titanium ions in living plant stems.

  20. Free Energy-Based Coarse-Grained Force Field for Binary Mixtures of Hydrocarbons, Nitrogen, Oxygen, and Carbon Dioxide.

    Science.gov (United States)

    Cao, Fenglei; Deetz, Joshua D; Sun, Huai

    2017-01-23

    The free energy based Lennard-Jones 12-6 (FE-12-6) coarse-grained (CG) force field developed for alkanes1 has been extended to model small molecules of light hydrocarbons (methane, ethane, propane, butane, and isobutane), nitrogen, oxygen, and carbon dioxide. The adjustable parameters of the FE-12-6 potential are determined by fitting against experimental vapor-liquid equilibrium (VLE) curves and heat of vaporization (HOV) data for pure substance liquids. Simulations using the optimized FE-12-6 parameters correctly reproduced experimental measures of the VLE, HOV, density, vapor pressure, compressibility, critical point, and surface tension for pure substances over a wide range of thermodynamic states. The force field parameters optimized for pure substances were tested on methane/butane, nitrogen/decane, and carbon dioxide/decane binary mixtures to predict their vapor-liquid equilibrium phase diagrams. It is found that for nonpolar molecules represented by different sized beads, a common scaling factor (0.08) that reduces the strength of the interaction potential between unlike beads, generated using Lorentz-Berthelot (LB) combination rules, is required to predict vapor-liquid phase equilibria accurately.

  1. Predicting the High-Pressure Phase Equilibria of Binary Mixtures of n-Alkanes Using the SAFT-VR Approach

    Science.gov (United States)

    McCabe, C.; Galindo, A.; Gil-Villegas, A.; Jackson, G.

    1998-11-01

    The phase behavior of selected alkane binary mixtures is studied using SAFT-VR, a version of the statistical associating fluid theory for potentials of variable attractive range (SAFT). We treat the n-alkane molecules as chains formed from united-atom hard-sphere segments with square-well potentials of variable range to describe the attractive interactions. We use a simple relationship between the number of carbon atoms in the n-alkane molecule and the number of segments in the united atom chains in order to predict the phase behavior of n-butane with other n-alkanes. The calculated vapor pressures and saturated liquid densities of the pure components are fitted to experimental data from the triple point to the critical point. These optimized parameters are rescaled by the respective experimental critical points and used to determine the critical lines and phase behavior of the mixtures. We use the Lorentz-Berthelot combining rule for the unlike interactions. We predict the phase behavior of n-butane + n-alkane binary mixtures, concentrating mainly on the critical region. The gas-liquid critical lines predicted by SAFT-VR for the n-alkane mixtures are in excellent agreement with the experimental data, and improve significantly on the results obtained with the simpler SAFT-HS approach where the attractive interactions are treated at the mean-field level.

  2. Volatile Organic Compounds in Naturally Fermented Milk and Milk Fermented Using Yeasts, Lactic Acid Bacteria and Their Combinations As Starter Cultures

    Directory of Open Access Journals (Sweden)

    Bennie C. Viljoen

    2007-01-01

    Full Text Available The volatile organic compounds present in 18 Zimbabwean naturally fermented milk (amasi samples and those produced by various yeasts, lactic acid bacteria (LAB and yeast/ LAB combinations were determined using headspace gas chromatography. The yeast strains used were: Candida kefyr 23, C. lipolytica 57, Saccharomyces cerevisiae 71, C. lusitaniae 68, C. tropicalis 78, C. lusitaniae 63, C. colliculosa 41, S. dairenensis 32, and Dekkera bruxellensis 43, and were coded Y1 to Y9, respectively. The LAB strains used were Lactococcus lactis subsp. lactis Lc39, L. lactis subsp. lactis Lc261, Lactobacillus paracasei Lb11, and L. lactis subsp. lactis biovar. diacetylactis C1, and were coded B1 to B4, respectively. Some of the volatile organic compounds found in amasi were acetaldehyde, ethanol, acetone, 2-methyl propanal, 2-methyl-1-propanol and 3-methyl-1-butanol. However, the levels of volatile organic compounds in the naturally fermented milk (NFM samples varied from one sample to another, with acetaldehyde ranging from 0.1–18.4 ppm, 3-methyl butanal from <0.1–0.47 ppm and ethanol from 39.3–656 ppm. The LAB/C. kefyr 23 (B/Y1 co-cultures produced significantly (p<0.05 higher levels of acetaldehyde and ethanol than the levels found in the NFM. The acetaldehyde levels in the B/Y1 samples ranged from 26.7–87.7 ppm, with L. lactis subsp. lactis biovar. diacetylactis C1 (B4 producing the highest level of acetaldehyde in combination with C. kefyr 23 (Y1. Using principal component analysis (PCA, most of the NFM samples were grouped together with single and co-cultures of Lc261, Lb11 and the non-lactose fermenting yeasts, mainly because of the low levels of ethanol and similar levels of 3-methyl butanal. Chromatograms of amasi showed prominent peak of methyl aldehydes and their alcohols including 3-methyl-butanal and 3-methyl-butanol, suggesting that these compounds are important attributes of Zimbabwean naturally fermented milk.

  3. An experimental study of different hydrocarbon components in natural gas and their impact on engine performance in a HCCI engine

    Energy Technology Data Exchange (ETDEWEB)

    Aaberg, Kristoffer

    2000-07-01

    Natural gas is a well suited fuel for HCCI (Homogenous Charge Compression Ignition) operation. Commercial natural gas consists of many different hydrocarbons where the lighter hydrocarbons, methane, ethane propane and butane are the most common and methane having the highest percentage. The composition of natural gas varies widely all over the world. It is well known that the higher hydrocarbons have a great impact on the ignition characteristics. As a spontaneous auto-ignition process initiates HCCI, this type of engine is very sensitive of the fuels ignition characteristics. To investigate the influence of the higher hydrocarbons an extensive test series was carried out. The impact of different concentrations of ethane, propane, iso- and n-butane were tested. Using different equivalence ratios, concentrations of the hydrocarbons, levels of EGR and levels of boost pressure the tests were carried out. Data collected during the testing were emission, mass flow, indicated mean effective pressure, inlet temperature and engine speed. From these data, specific emissions and efficiencies could be calculated. As a test a value of released heat per cycle was also evaluated, and used to check the mass flow. The results show that the ignition characteristics of the charge is very sensitive to fuel composition. A strong connection between the required inlet air temperature and the fuel composition was detected. With an increasing amount of heavier components in the gas, this temperature was decreased. This is connected to the octane number of the components. Much of the engine performance can be related to this change of temperature. Emissions and power output (imep) showed the highest dependency of the concentration of component gas. Butanes had the highest impact on the inlet temperature, followed by propane and ethane. With the use of 20% EGR the inlet temperature had to be raised. The impact of the component gases was the same as with no EGR. The combustion efficiency

  4. Synthesis, structure and characterization of two new metal-organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate.

    Science.gov (United States)

    Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin

    2015-09-01

    Two new coordination polymers (CPs) formed from 5-iodobenzene-1,3-dicarboxylic acid (H2iip) in the presence of the flexible 1,4-bis(1H-imidazol-1-yl)butane (bimb) auxiliary ligand, namely poly[[μ2-1,4-bis(1H-imidazol-1-yl)butane-κ(2)N(3):N(3')](μ3-5-iodobenzene-1,3-dicarboxylato-κ(4)O(1),O(1'):O(3):O(3'))cobalt(II)], [Co(C8H3IO4)(C10H14N4)]n or [Co(iip)(bimb)]n, (1), and poly[[[μ2-1,4-bis(1H-imidazol-1-yl)butane-κ(2)N(3):N(3')](μ2-5-iodobenzene-1,3-dicarboxylato-κ(2)O(1):O(3))zinc(II)] trihydrate], {[Zn(C8H3IO4)(C10H14N4)]·3H2O}n or {[Zn(iip)(bimb)]·3H2O}n, (2), were synthesized and characterized by FT-IR spectroscopy, thermogravimetric analysis (TGA), solid-state UV-Vis spectroscopy, single-crystal X-ray diffraction analysis and powder X-ray diffraction analysis (PXRD). The iip(2-) ligand in (1) adopts the (κ(1),κ(1)-μ2)(κ(1), κ(1)-μ1)-μ3 coordination mode, linking adjacent secondary building units into a ladder-like chain. These chains are further connected by the flexible bimb ligand in a trans-trans-trans conformation. As a result, a twofold three-dimensional interpenetrating α-Po network is formed. Complex (2) exhibits a two-dimensional (4,4) topological network architecture in which the iip(2-) ligand shows the (κ(1))(κ(1))-μ2 coordination mode. The solid-state UV-Vis spectra of (1) and (2) were investigated, together with the fluorescence properties of (2) in the solid state.

  5. Superacid catalysis of light hydrocarbon conversion. DOE PETC seventh quarterly progress report, April 1, 1995--July 31, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Gates, B.C. [Univ. of California, Davis, CA (United States). Dept. of Chemical Engineering and Materials Science

    1996-02-01

    Iron- and manganese-promoted sulfated zirconia is a catalyst for the conversion of propane, but the rate of conversion of propane is much less than the rate of conversion of butane. Whereas this catalyst appears to be a good candidate for practical, industrial conversion of butane, it appears to lack sufficient activity for practical conversion of propane. The propane conversion data reported here provide excellent insights into the chemistry of the catalytic conversion. Solid and catalysts, namely, sulfated zirconia, iron- and manganese-promoted sulfated zirconia, and USY zeolite, were tested for conversion of propane at 1 atm, 200-450{degrees}C, and propane partial pressures in the range of 0.01-0.05 atm. Both promoted and unpromoted sulfated zirconia were found to be active for conversion of propane into butanes, pentanes, methane, ethane, ethylene, and propylene in the temperature range of 200-350{degrees}C, but catalyst deactivation was rapid. At the higher temperatures, only cracking and dehydrogenation products were observed. In contrast to the zirconia-supported catalysts, USY zeolite was observed to convert propane (into propylene, methane, and ethylene) only at temperatures {ge}400{degrees}C. The initial (5 min on stream) rates of propane conversion in the presence of iron- and manganese-promoted sulfated zirconia, sulfated zirconia, and USY zeolite at 450{degrees}C and 0.01 atm propane partial pressure were 3.3 x 10{sup -8}, 0.3 x 10{sup -8}, and 0.06 x 10{sup -8} mol/(s{center_dot}g), respectively. The product distributions in the temperature range 200-450{degrees}C are those of acid-base catalysis, being similar to what has been observed in superacid solution chemistry at temperatures <0{degrees}C. If propane conversion at 450{degrees}C can be considered as a probe of acid strength of the catalyst, the activity comparison suggests that the promoted sulfated zirconia is a stronger acid than sulfated zirconia, which is a stronger acid than USY zeolite.

  6. Design of supported bi-metallic nanoparticles based on Platinum and Palladium using Surface Organometallic Chemistry (SOMC)

    KAUST Repository

    Al-Shareef, Reem A.

    2017-11-01

    Well-defined silica supported bimetallic catalysts Pt100-x Pdx (where x is the molar ratio of Pd) are prepared by Surface Organometallic Chemistry (SOMC) via controlled decomposition of Pd2(allyl)2Cl2 on Pt/SiO2. For comparison purposes, Pt100-x Pdx bimetallic catalysts is also prepared by ion-exchange (IE). According to the results of STEM, XAS and H2 chemisorption, all bimetallic nanoparticles, prepared using neither SOMC nor IE, produce discrete formation of monometallic species (either Pt or Pd). Most catalysts exhibit a narrow particle size distribution with an average diameter ranging from 1 to 3 nm for samples prepared by IE and from 2 to 5 nm for the ones synthesized by SOMC. For all catalysts investigated in the present work, iso-butane reaction with hydrogen under differential conditions (conversions below 5%) leads to the formation of methane and propane (hydrogenolysis), n-butane (isomerization), and traces of iso-butylene (dehydrogenation). The total rate of reaction decreases with increasing the Pd loading for both catalysts series as a result of decreasing turnover rate (expressed as moles converted per total surface metal per second) of both isomerization and hydrogenolysis. In the case of Pt100-x Pdx(SOMC) catalysts, the results suggest a selective coverage of Pt (100) surface by a Pd layer, followed by a buildup of Pd overcoat onto a Pd layer assuming that each metal keeps its intrinsic catalytic properties. There is no mutual electronic charge transfer between the two metals (DFT). For the PtPd catalysts prepared by IE, the catalytic behavior cannot simply be explained by a surface coverage of highly active Pt metal by less active Pd (not observed), suggesting there is formation of a surface alloy between Pt and Pd collaborated by EXAFS and DFT. The catalytic results are explained by a simple structure activity relationship based on the previously proposed mechanism of C-H bond and C-C Bond activation and cleavage for iso-butane hydrogenolysis

  7. Shock tube measurements of the rate constants for seven large alkanes+OH

    KAUST Repository

    Badra, Jihad

    2015-01-01

    Reaction rate constants for seven large alkanes + hydroxyl (OH) radicals were measured behind reflected shock waves using OH laser absorption. The alkanes, n-hexane, 2-methyl-pentane, 3-methyl-pentane, 2,2-dimethyl-butane, 2,3-dimethyl-butane, 2-methyl-heptane, and 4-methyl-heptane, were selected to investigate the rates of site-specific H-abstraction by OH at secondary and tertiary carbons. Hydroxyl radicals were monitored using narrow-line-width ring-dye laser absorption of the R1(5) transition of the OH spectrum near 306.7 nm. The high sensitivity of the diagnostic enabled the use of low reactant concentrations and pseudo-first-order kinetics. Rate constants were measured at temperatures ranging from 880 K to 1440 K and pressures near 1.5 atm. High-temperature measurements of the rate constants for OH + n-hexane and OH + 2,2-dimethyl-butane are in agreement with earlier studies, and the rate constants of the five other alkanes with OH, we believe, are the first direct measurements at combustion temperatures. Using these measurements and the site-specific H-abstraction measurements of Sivaramakrishnan and Michael (2009) [1,2], general expressions for three secondary and two tertiary abstraction rates were determined as follows (the subscripts indicate the number of carbon atoms bonded to the next-nearest-neighbor carbon): S20=1.58×10-11exp(-1550K/T)cm3molecule-1s-1(887-1327K)S30=2.37×10-11exp(-1850K/T)cm3molecule-1s-1(887-1327K)S21=4.5×10-12exp(-793.7K/T)cm3molecule-1s-1(833-1440K)T100=2.85×10-11exp(-1138.3K/T)cm3molecule-1s-1(878-1375K)T101=7.16×10-12exp(-993K/T)cm3molecule-1s-1(883-1362K) © 2014 The Combustion Institute.

  8. Carbon mediated catalysis:A review on oxidative dehydrogenation

    Institute of Scientific and Technical Information of China (English)

    De Chen; Anders Holmen; Zhijun Sui; Xinggui Zhou

    2014-01-01

    Carbon mediated catalysis has gained an increasing attention in both areas of nanocatalysis and nanomaterials. The progress in carbon nanomaterials provides many new opportunities to manip-ulate the types and properties of active sites of catalysts through manipulating structures, function-alities and properties of carbon surfaces. The present review focuses on progresses in carbon medi-ated oxidative dehydrogenation reactions of ethylbenzene, propane, and butane. The state-of-the-art of the developments of carbon mediated catalysis is discussed in terms of fundamental studies on adsorption of oxygen and hydrocarbons, reaction mechanism as well as effects of carbon nano-material structures and surface functional groups on the catalytic performance. We highlight the importance and challenges in tuning of the electron density of carbon and oxygen on carbon surfac-es for improving selectivity in oxidative dehydrogenation reactions.

  9. Minutes of the tenth meeting of the centers for the analysis of thermal/mechanical energy conversion concepts

    Energy Technology Data Exchange (ETDEWEB)

    DiPippo, R.

    1981-03-01

    The agenda, list of participants, and minutes of the meeting are presented. Included in the appendices are figures, data, outlines, etc. from the following presentations: 500 kW Direct-Contact Heat Exchanger Pilot Plant; LBL/EPRI Heat Exchanger Field Test, Critical Temperature and Pressure Comparisons for n-Butane/n-Pentane Mixtures; Second Law Techniques in the Correlation of Cost-Optimized Binary Power Plants; Outline of Chapter on Geothermal Well Logging; Outline and Highlights from Geothermal Drilling and Completion Technology Development Program Annual Progress: October 1979-September 1980; Geothermal Well Stimulation; World Update on Installed Geothermal Power Plants; Baca No. 1 Demonstration Flask Plant: Technical and Cost Data; Heber Binary Project; 45 mw Demonstration Plant; Raft River 5 mw Geothermal Dual-Boiling-Cycle Plant; Materials Considerations in the Design of Geothermal Power Plants; Raft River Brine Treatment for Tower Make-up; and Site Photographs of Raft River Valley.

  10. Supercritical fluid extraction of plant flavors and fragrances.

    Science.gov (United States)

    Capuzzo, Andrea; Maffei, Massimo E; Occhipinti, Andrea

    2013-06-19

    Supercritical fluid extraction (SFE) of plant material with solvents like CO₂, propane, butane, or ethylene is a topic of growing interest. SFE allows the processing of plant material at low temperatures, hence limiting thermal degradation, and avoids the use of toxic solvents. Although today SFE is mainly used for decaffeination of coffee and tea as well as production of hop extracts on a large scale, there is also a growing interest in this extraction method for other industrial applications operating at different scales. In this review we update the literature data on SFE technology, with particular reference to flavors and fragrance, by comparing traditional extraction techniques of some industrial medicinal and aromatic crops with SFE. Moreover, we describe the biological activity of SFE extracts by describing their insecticidal, acaricidal, antimycotic, antimicrobial, cytotoxic and antioxidant properties. Finally, we discuss the process modelling, mass-transfer mechanisms, kinetics parameters and thermodynamic by giving an overview of SFE potential in the flavors and fragrances arena.

  11. Sulforaphane inhibits the Th2 immune response in ovalbumin-induced asthma.

    Science.gov (United States)

    Park, Jun Ho; Kim, Jong Won; Lee, Chang-Min; Kim, Yeong Dae; Chung, Sung Woon; Jung, In Duk; Noh, Kyung Tae; Park, Jin Wook; Heo, Deok Rim; Shin, Yong Kyoo; Seo, Jong Keun; Park, Yeong-Min

    2012-05-01

    Sulforaphane (1-isothiocyanato-4-(methylsulfinyl)-butane), belonging to a family of natural compounds that are abundant in broccoli, has received significant therapeutic interest in recent years. However, the molecular basis of its effects remains to be elucidated. In this study, we attempt to determine whether sulforaphane regulates the inflammatory response in an ovalbumin (OVA)-induced murine asthma model. Mice were sensitized with OVA, treated with sulforaphane, and then challenged with OVA. Sulforaphane administration significantly alleviated the OVA-induced airway hyperresponsiveness to inhaled methacholine. Additionally, sulforaphane suppressed the increase in the levels of SOCS-3 and GATA-3 and IL-4 expression in the OVA-challenged mice. Collectively, our results demonstrate that sulforaphane regulates Th2 immune responses. This sutdy provides novel insights into the regulatory role of sulforaphane in allergen-induced Th2 inflammation and airway responses, which indicates its therapeutic potential for asthma and other allergic diseases.

  12. Pillar[5]arene-Diketopyrrolopyrrole Fluorescent Copolymer: A Promising Recognition and Adsorption Material for Adiponitrile by Selective Formation of a Conjugated Polypseudorotaxane.

    Science.gov (United States)

    Cui, Wei; Tang, Hao; Xu, Linxian; Wang, Lingyun; Meier, Herbert; Cao, Derong

    2017-07-01

    Conjugated pillar[5]arene-diketopyrrolopyrrole copolymer (P1) is synthesized by the copolymerization of a difunctionalized pillar[5]arene and a diketopyrrolopyrrole-based monomer, which shows large extinction coefficients (1.1 × 104 m-1 cm-1 ) at 519 nm and strong emission at 587 nm. P1 exhibits very strong host-guest binding affinity towards adiponitrile but low binding affinity towards 1,4-dihalobutane and 1,4-bis(imidazol-1-yl)butane. Such an enhanced selectivity is first found in the polypseudorotaxane between pillararene and neutral guests in organic solution and is successfully used for the recognition and adsorption of adiponitrile by the formation of a P1-adiponitrile polypseudorotaxane. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Using NANO-TiO2 as Co-Catalyst for Improving Wrinkle-Resistance of Cotton Fabric

    Science.gov (United States)

    Yuen, C. W. M.; Ku, S. K. A.; Kan, C. W.; Cheng, Y. F.; Choi, P. S. R.; Lam, Y. L.

    In order to prevent cotton wrinkling, hydroxyl groups in the cellulose chain of cotton are partially crosslinked to keep the chain fixed relative to each other with dimethylol dihydroxy ethylene urea (DMDHEU). However, DMDHEU suffers disadvantages of reduced fabric strength and releasing of free formaldehyde. Recently, 1,2,3,4-butane tetracarboxylic acid (BTCA) has been explored as a new wrinkle-resistant agent providing similar performance to that of DMDHEU. In BTCA finishing, catalyst of inorganic phosphorus-containing acids was used but such phosphorus compounds have an adverse impact on the environment. In this paper, nano-TiO2 was used as a co-catalyst with sodium hypophophite in the treatment of cotton with BTCA, and the final properties were assessed.

  14. Descomposicion termica del diperoxido de pinacolona (3,6-diterbutil-3,6-dimetil-1,2,4,5-tetraoxaciclohexano en solución de 2-metoxietanol Thermal decomposition of pinacolone diperoxide (3,6-ditertbutyl-3,6-dimethyl-1,2,4,5-tetraoxacyclohexane in 2-methoxyethanol solution

    Directory of Open Access Journals (Sweden)

    Gladys N. Eyler

    2002-05-01

    Full Text Available The thermal decomposition reaction of pinacolone diperoxide (DPP; 0.02 mol kg-1 in 2-methoxyethanol solution studied in the temperature range of 110.0-150.0 °C, follows a first-order kinetic law up to at least 50% DPP conversion. The organic products observed were pinacolone, methane and tert-butane. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DPP in 2-methoxyethanol were calculated (deltaH# = 43.8 ± 1.0 kcal mol-1 and deltaS# = 31.9 ± 2.6 cal mol-1K-1 and compared with those obtained in other solvents to evaluate the solvent effect.

  15. Performance Analysis of Supercritical Binary Geothermal Power Plants

    Directory of Open Access Journals (Sweden)

    Ahmet Dagdas

    2015-01-01

    Full Text Available It is possible to generate electricity by utilizing medium-temperature geothermal sources in various closed cycles. These geothermal power plants are very important and valuable as they utilize the sources which have low exergy. In recent years, medium-temperature sources that are around 150°C are used widely for electricity generation. In this study, performance of a supercritical binary power plant, that uses such a geothermal source, is analyzed to find the optimum turbine inlet pressure that maximizes power generation. In this power plant different working fluids are analyzed to find the appropriate fluid that maximizes power generation and efficiency. The observed working fluids are R134a, isobutane, R404a, n-Butane, and R152a. The performance of the plant is calculated with these fluids separately and it is found that the best fluid for performance is R152a for pure fluid and R404a for mixture fluid.

  16. Mass Spectrometry Study of OH-initiated Photooxidation of Toluene

    Science.gov (United States)

    Huang, Ming-qiang; Zhang, Wei-jun; Wang, Zhen-ya; Fang, Li; Kong, Rui-hong; Shan, Xiao-bin; Liu, Fu-yi; Sheng, Liu-si

    2011-12-01

    The composition of products formed from photooxidation of the aromatic hydrocarbon toluene was investigated. The OH-initiated photooxidation experiments were conducted by irradiating toluene/CH3ONO/NO/air mixtures in a smog chamber, the gaseous products were detected under the supersonic beam conditions by utilizing vacuum ultraviolet photoionization mass spectrometer using synchrotron radiation in real-time. And an aerosol time-of-flight mass spectrometer was used to provide on-line measurements of the individual secondary organic aerosol particle resulting from irradiating toluene. The experimental results demonstrated that there were some differences between the gaseous products and that of particle-phase, the products of glyoxal, 2-hydroxyl-3-oxo-butanal, nitrotoluene, and methyl-nitrophenol only existed in the particle-phase. However, furane, methylglyoxal, 2-methylfurane, benzaldehyde, cresol, and benzoic acid were the predominant photooxidation products in both the gas phase and particle phase.

  17. Beowawe Bottoming Binary Unit - Final Technical Report for EE0002856

    Energy Technology Data Exchange (ETDEWEB)

    McDonald, Dale Edward

    2013-02-12

    This binary plant is the first high-output refrigeration based waste heat recovery cycle in the industry. Its working fluid is environmentally friendly and as such, the permits that would be required with a butane based cycle are not necessary. The unit is modularized, meaning that the unit’s individual skids were assembled in another location and were shipped via truck to the plant site. This project proves the technical feasibility of using low temperature brine The development of the unit led to the realization of low temperature, high output, and environmentally friendly heat recovery systems through domestic research and engineering. The project generates additional renewable energy for Nevada, resulting in cleaner air and reduced carbon dioxide emissions. Royalty and tax payments to governmental agencies will increase, resulting in reduced financial pressure on local entities. The major components of the unit were sourced from American companies, resulting in increased economic activity throughout the country.

  18. Eco-friendly finishing agent for cotton fabrics to improve flame retardant and antibacterial properties.

    Science.gov (United States)

    El-Shafei, A; ElShemy, M; Abou-Okeil, A

    2015-03-15

    This research work deals with flame retardant and antibacterial finishing agent for cellulosic fabrics using TiO2 nanoparticles and chitosan phosphate. TiO2 nanoparticles were prepared by sol-gel method using titanium tetraisopropoxide. The size of TiO2 nanoparticles was characterized using transmission electron microscope (TEM). The application of nano TiO2 onto cellulosic fabrics (cotton 100%) was achieved in presence of polycarboxylic acid [1,2,3,4-butane tetracarboxylic acid (BTCA)] with sodium hypophosphite (SHP) as catalyst and chitosan phosphate through conventional pad-dry-cure method. The effect of the finishing on the physical properties, flammability and antibacterial properties of cross-linked fabrics are investigated. Thermal gravimetric analysis (TGA) was employed to investigate the thermal decomposition behaviour of the treated samples. Limited oxygen indexes (LOI) of the treated cotton fabrics were investigated. The treated cotton fabric also reveals excellent antibacterial properties. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Determination of VOCs in traffic exhaust by FTIR absorption spectrometry

    Science.gov (United States)

    Sedlmaier, Achim; Schaefer, Klaus; Becker, K. H.; Brockmann, Klaus; Heland, Joerg; Kurtenbach, Ralf; Loerzer, J.; Wiesen, Peter

    1999-09-01

    Infrared spectral features of organic hydrocarbons were investigated with respect to single compounds. A separation and consequently a quantitative concentration determination is possible for ethane, ethene, ethyne, propene, iso-butene, benzene, toluene, o-xylene, m-xylene and p-xylene using a MCT detector with a cut-off frequency below 660 cm-1. The spectral features of propane, butane, pentane and hexane cannot be separated. In order to be able to derive parameters, such as detection limits, accuracy, precision and the influence of interfering species or different reference data, validation measurements were carried out in a road tunnel and in the laboratory using an open White mirror compartment and closed White cells. FTIR spectra were collected with two spectrometers at different spectral resolutions. Parallel GC measurements were made for comparison.

  20. Gas Sorption, Diffusion and Permeation in a Polymer of Intrinsic Microporosity (PIM-7)

    KAUST Repository

    Alaslai, Nasser Y.

    2013-05-08

    of He, H2, N2, O2, CH4, CO2, C2H6, C3H8 and n-C4H10 were measured at 35 oC and 2 atm feed pressure using a home-made constant-volume/variable pressure pure-gas permeation system. Hydrocarbon-induced plasticization of PIM-7 was confirmed by measuring the permeability coefficients of C3H8 and n-C4H10 as function of pressure at 35 oC. Diffusion coefficients were calculated from the permeability and solubility data at 2 atm for all penetrants tested and as function of pressure for C3H8 and n-C4H10; the values for C3 and C4 increased significantly with pressure because of plasticization. Physical aging was studied by measuring the permeability coefficients of a number of gases in fresh and aged films. Mixed-gas permeation tests were performed for a feed mixture of 2 vol% n-butane and 98 vol% methane. Based on BET surface area measurements using N2 as a probe molecule, PIM-7 is a microporous polymer (S = 690 m2/g) and it was expected to exhibit selectivity for n-butane over methane, as previously observed for other microporous polymers, such as PIM-1 and PTMSP. Surprisingly, PIM-7 is more permeable to methane than n-butane and exhibits a mixed-gas methane/n-butane selectivity of up to 2.3. This result indicates that the micropore size in PIM-7 is smaller than that in other PIMs materials. Consequently, PIM-7 is not a suitable candidate membrane material for separation of higher hydrocarbons from methane.