Combustion, gaseous and particulate emission of a diesel engine fueled with n-pentanol (C5 alcohol) blended with waste cooking oil biodiesel

International Nuclear Information System (INIS)

Zhu, Lei; Xiao, Yao; Cheung, C.S.; Guan, Chun; Huang, Zhen

2016-01-01

Highlights: • BP blends have fast combustion process at high temperature. • BP blends improve brake thermal efficiency of biodiesel. • Particle mass and number concentration could be reduced by pentanol addition. • Diameter of the primary particle is minimized by pentanol addition. • The addition of 10% pentanol is recommended as a suitable replacement ratio. - Abstract: The combustion, gaseous and particulate emissions of a diesel engine fueled with biodiesel–pentanol (BP) blends were investigated under different engine loads. The results indicate that with the increased pentanol fraction, the start of combustion is delayed. All of the BP blends provide faster combustion than biodiesel and diesel fuel from CA10 to CA90. The faster combustion of BP blends leads to a higher BTE than that of biodiesel and diesel fuel in most cases. The particle mass and number concentrations are reduced by the addition of pentanol in biodiesel in most test conditions, due to the higher oxygen concentration for the fuel/air stoichiometry, longer ignition delay for fuel/air mixing, and lower viscosity for the improvement of atomization. The R−(C=O)O−R′ group in biodiesel is less efficient in suppressing the soot precursor’s formation than the R−OH group in pentanol. The diameter of the primary particles is reduced with the increased addition of pentanol. The particulate emission of BP10 have higher oxidation reactivity that that of BP20 and BP30. Base on this study, pentanol–biodiesel can be considered as an acceptable alternative fuel for diesel engines due to its improved combustion performance and reduced particulate emissions.

Performance and emission analysis on blends of diesel, restaurant yellow grease and n-pentanol in direct-injection diesel engine.

Science.gov (United States)

Ravikumar, J; Saravanan, S

2017-02-01

Yellow grease from restaurants is typically waste cooking oil (WCO) free from suspended food particles with free fatty acid (FFA) content less than 15%. This study proposes an approach to formulate a renewable, eco-friendly fuel by recycling WCO with diesel (D) and n-pentanol (P) to improve fuel-spray characteristics. Three ternary blends (D50-WCO45-P5, D50-WCO40-P10 and D50-WCO30-P20) were selected based on the stability tests and prepared with an objective to substitute diesel by 50% with up to 45% recycled component (WCO) and up to 20% bio-component (n-pentanol) by volume. The fuel properties of these ternary blends were measured and compared. The emission impacts of these blends on a diesel engine were analysed in comparison with diesel and D50-WCO50 (50% of diesel + 50% of WCO) under naturally articulated and EGR (exhaust gas recirculation) approaches. Doping of n-pentanol showed improved fuel properties when compared to D50-WCO50. Viscosity is reduced up to 45%. Cetane number and density were comparable to that of diesel. Addition of n-pentanol to D50-WCO50 presented improved brake specific fuel consumption (BSFC) for all ternary blends. Brake thermal efficiency (BTE) of D50-WCO30-P20 blend is comparable to diesel due to improved atomization. Smoke opacity reduced, HC emissions increased and CO emissions remained unchanged with doping n-pentanol in the WCO. NOx emission increases with increase in n-pentanol and remained lower than diesel and all load conditions. However, NOx can be decreased by up to threefold using EGR. By adopting this approach, WCO can be effectively reused as a clean energy source by negating environmental hazards before and after its use in diesel engines, instead of being dumped into sewers and landfills.

Separate and combined effects of 1-pentanol applied to the eggs and gamma radiation applied to the pupae on some biological aspects of the medfly, ceratitis capitata Wied

International Nuclear Information System (INIS)

Wakid, A.M.; Fadel, A.M.

1996-01-01

Laboratory experiments were conducted on the medfly, ceratitis capitata (Wied) to study the separate and combined effects of the alcohol, l-pentanol (1-3%), applied to the eggs and gamma radiation (50 and 90 Gy) applied to the pupae on egg hatch, pupation, adult emergence. sex ration, adult survival, sterility and male mating competitiveness. The concentrations 1,2 and 3% of 1-pentanol applied to eggs for one or two days did not affect neither egg hatch, pupation, adult emergence nor sec ratio. Also there were no clear differences in adult emergence, sex ration or male and female survival, in different treatments studied (Irradiated, treated and treated irradiated). Male sterility, treated as eggs with 2% 1-pentanol for one or two days and irradiated as pupae (8-9 days), was increased significantly at 90 Gy compared to 50 Gy or the control. Moreover male competitiveness was increased significantly at 50 Gy compared to 90 Gy whether when eggs were treated with the alcohol or not. Treating eggs with the alcohol produced more competitive males especially when treatment was achieved for one day. 2 figs., 3 tabs

Determination and correlation of the solubility for diosgenin in alcohol solvents

International Nuclear Information System (INIS)

Chen Feixiong; Zhao Mingrui; Liu Chuochuo; Peng Feifei; Ren Baozeng

2012-01-01

Highlights: ► The solubilities of diosgenin in different alcohols solvents have been obtained. ► The solubility decreases with the increase of the polarity of the alcohols solvents. ► The results show that the three models agree well with the experimental data. - Abstract: Using a laser monitoring technique, the solubility of diosgenin in ethanol, 1-propanol, 1-butanol, isobutyl alcohol, tert-butanol, 1-pentanol, and iso-octyl alcohol was measured over the temperature range from (290.15 to 330.15) K at atmospheric pressure. Its corresponding (solid + liquid) equilibrium data will provide essential support for industrial design and further theoretical studies. From the experimental results, the solubility of diosgenin in ethanol, 1-propanol, 1-butanol, isobutyl alcohol, tert-butanol, 1-pentanol, and iso-octyl alcohol was found to increase with increasing temperature and decrease with the increase of the polarity of the alcohols solvents. The Apelblat equation, the ideal model and the λh equation were used to correlate the solubility values. The results showed that the three models mentioned above agreed well with the experimental data.

Two types of lamellar phase in TTAB/water/pentanol system as detected by positron lifetime spectroscopy

International Nuclear Information System (INIS)

Khani, P.H.; Yadav, R.; Singh, K.C.; Jain, P.C.

2004-01-01

Positron lifetime measurements were performed in TTAB(Tetradecyl trimethyl ammonium bromide)/water/pentanol ternary systems prepared by adding varying amounts of pentanol to different mother solutions of TTAB/water system having fixed TTAB concentrations. Besides delineating various phase boundaries as obtained by other conventional techniques, positron annihilation parameters were also found to be sensitive in detecting two kinds of lamellar structures in the otherwise considered to be a single liquid crystalline D phase of the system. The existence of such lamellar structures has been demonstrated by a change in the trend of o-Ps lifetime parameter when the system passes from one type of lamellar structure to the other type. The results of such a finding are presented in this paper. (orig.)

Propiedades volumétricas y viscosimétricas de las mezclas binarias de N,N- Dimetilformamida + 1-pentanol a varias temperaturas

Directory of Open Access Journals (Sweden)

Manuel S. Páez

2014-01-01

Full Text Available Se determinaron las densidades y viscosidades de las mezclas binarias de N,N-Dimetilformamida (DMF + 1-pentanol sobre todo el intervalo de concentraciones a las temperaturas de (283,15, 288,15, 293,15, 298,15 y 313,15 K utilizando un densímetro de tubo vibratorio Anton Paar DMA 5000 y un viscosímetro Anton Paar AMVn respectivamente. Se calcularon los volúmenes molares de exceso , las desviaciones de viscosidad, los coeficientes B de viscosidad y los parámetros de activación del flujo viscoso. Se discutieron los efectos de la concentración del 1-pentanol y de la temperatura sobre los parámetros previamente mencionados. Los resultados fueron interpretados en términos de interacciones soluto-solvente en medios orgánicos. Los volúmenes molares de exceso resultaron ser negativos, y fueron atribuidos a la presencia de varios factores: fuerzas atractivas tipo puentes de hidrógeno soluto-solvente, fuerzas físicas más débiles como la fuerza bipolar o cualquier otra fuerza de este tipo; así como, al acomodamiento de las moléculas del alcohol en los espacios de las moléculas de la DMF. Las desviaciones de viscosidad son altas y negativas en todo el intervalo de concentraciones y se incrementan al aumentar la temperatura, lo cual podría indicar la presencia de interacciones específicas entre las moléculas de 1-pentanol y la DMF, mientras que los altos valores negativos se pueden interpretar considerando la fuerza de los enlaces de hidrógeno, la forma y el tamaño de las moléculas estudiadas.

Preparation of zeolite supported TiO{sub 2}, ZnO and ZrO{sub 2} and the study on their catalytic activity in NO{sub x} reduction and 1-pentanol dehydration

Energy Technology Data Exchange (ETDEWEB)

Fatimah, Is [Chemistry Department, Islamic University of Indonesia Kampus Terpadu UII, Jl. Kaliurang Km 14, Sleman, Yogyakarta (Indonesia)

2016-03-29

Preparation of zeolite supported TiO{sub 2}, ZnO and ZrO{sub 2} and their catalytic activity was studied. Activated natural zeolite from Indonesia was utilized for the preparation and catalytic activity test on NO{sub x} reduction by NH{sub 3} and also 1-pentanol dehydration were examined. Physicochemical characterization of materials was studied by x-ray diffraction (XRD) measurement, scanning electron microscope, solid acidity determination and also gas sorption analysis. The results confirmed that the preparation gives some improvements on physicochemical characters suitable for catalysis mechanism in those reactions. Solid acidity and specific surface area contributed significantly to the activity.

Estimation of VLE of binary systems (tert-butanol + 2-ethyl-1-hexanol) and (n-butanol + 2-ethyl-1-hexanol) using GMDH-type neural network

International Nuclear Information System (INIS)

Ketabchi, S.; Ghanadzadeh, H.; Ghanadzadeh, A.; Fallahi, S.; Ganji, M.

2010-01-01

The group method of data handling (GMDH) method was used to estimate (vapour + liquid) equilibrium (VLE) for the binary systems of (tert-butanol + 2-ethy1-1-hexanol) and (n-butanol + 2-ethy1-1-hexanol). Using this method, a new model was proposed, which is suitable for predicting the VLE data. In this publication, the proposed model was 'trained' before requested predictions. The data set was divided into two parts: 70% were used as data for 'training' (either 10 or 12), and 30% were used as a test set, which were randomly extracted from the database (either 14 or 16). After the training on the input-output process, the predicted values were compared with those of experimental values in order to evaluate the performance of the GMDH neural network method. The model values showed a very good regression with the experimental results.

Isobaric (vapour + liquid) equilibria for the (1-pentanol + propionic acid) binary mixture at (53.3 and 91.3) kPa

International Nuclear Information System (INIS)

Mohsen-Nia, M.; Memarzadeh, M.R.

2010-01-01

Isobaric (vapour + liquid) equilibrium measurements have been reported for the binary mixture of (1-pentanol + propionic acid) at (53.3 and 91.3) kPa. Liquid phase activity coefficients were calculated from the equilibrium data. The thermodynamic consistency of the experimental results was checked using the area test and direct test methods. According to these criteria, the measured (vapour + liquid) equilibrium results were found to be consistent thermodynamically. The obtained results showed a maximum boiling temperature azeotrope at both pressures studied. The measured equilibrium results were satisfactorily correlated by the models of Wilson, UNIQUAC, and NRTL activity coefficients. The results obtained indicate that the performance of the NRTL model is superior to the Wilson and UNIQUAC models for correlating the measured isobaric (vapour + liquid) equilibrium data.

Excess Molar Volumes and Viscosities for Binary Mixtures of 1-Alkoxypropan-2-ols with 1-Butanol,and 2-Butanol at 298.15 K and Atmospheric Pressure

Institute of Scientific and Technical Information of China (English)

PAL Amalendu; GABA Rekha

2007-01-01

Excess molar volumes VEm and kinematic viscosities v have been measured as a function of composition for binary mixtures of propylene glycol monomethyl ether (1-methoxy-2-propanol),MeOCH2CH(OH)Me,propylene glycol monoethyl ether (1-ethoxy-2-propanol), EtOCH2CH(OH)Me,propylene glycol monopropyl ether (1-propoxy-2-propanol), PrOCH2CH(OH)Me, propylene glycol monobutyl ether (1-butoxy-2-propanol),BuOCH2CH(OH)Me,and propylene glycol tert-butyl ether (1-tert-butoxy-2-propanol),t-BuOCH2CH(OH)Me with 1-butanol,and 2-butanol,at 298.15 K and atmospheric pressure.The excess molar volumes are negative across the entire range of composition for all the systems with 1-butanol,and positive for the systems 2-butanol+1-methoxy-2-propanol,and +1-propoxy-2-propanol,negative for the systems 2-butanol+1-butoxy-2-propanol,and change sign for the systems 2-butanol+1-ethoxy-2-propanol,and +1-tert-butoxy-2-propanol.From the experimental data,the deviation in dynamic viscosity η from Σxiηi has been calculated.Both excess molar volumes and viscosity deviations have been correlated using a Redlich-Kister type polynomial equation by the method of least-squares for the estimation of the binary coefficients and the standard errors.

IRIS Toxicological Review of Tert-Butyl Alcohol (Tert-Butanol) (External Review Draft)

Science.gov (United States)

The IRIS Toxicological Review of tert-Butyl Alcohol (tert-Butanol) was released for external peer review in June 2017. EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis supporting ...

IRIS Toxicological Review of Tert-Butyl Alcohol (Tert-Butanol) (Public Comment Draft)

Science.gov (United States)

EPA is developing an Integrated Risk Information System (IRIS) assessment of tert-butyl Alcohol (tert-butanol) and has released the public comment draft assessment for public comment and external peer review. When final, the assessment will appear on the IRIS databa...

Continuous glycerolysis in an immobilized enzyme packed reactor for industrial monoacylglycerol production

DEFF Research Database (Denmark)

. In spite of optimal reaction conditions a complex heterogeneous reactant mixture with a glycerol in oil emulsion occurs. Hence, the movement of material from phase to phase as well as through the catalyst pores becomes important since it can influence the performance of the immobilized enzyme reactor...... and sunflower oil dissolved in a binary tert-butanol:tert-pentanol medium. Practical design-related issues such as required reaction time, enzyme capacity, expansion of the enzyme during wetting, and the effect of different column length-to-diameter ratios, fluid velocities and particle sizes of the enzymes...

Measurement and correlation of solubility of trans-resveratrol in 11 solvents at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K

Energy Technology Data Exchange (ETDEWEB)

Sun Xilan; Peng Bin [Department of Chemistry, Zhejiang University, Hangzhou 310027 (China); Yan Weidong [Department of Chemistry, Zhejiang University, Hangzhou 310027 (China)], E-mail: yanweidong@zju.edu.cn

2008-04-15

The solubilities of trans-resveratrol in methanol, ethanol, 1-propanol, 2- propanol, 1-butanol, 1-pentanol, 1-hexanol, ethyl acetate, tetrahydrofuran, acetone, and water (pH 6.0) solvents were measured at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K. The solubilities of trans-resveratrol in selected solvents increase with temperature, but decrease with increasing the number of carbon in alcohol solvents. The experimental data were correlated using a thermodynamic equation.

Measurement and correlation of solubility of trans-resveratrol in 11 solvents at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K

International Nuclear Information System (INIS)

Sun Xilan; Peng Bin; Yan Weidong

2008-01-01

The solubilities of trans-resveratrol in methanol, ethanol, 1-propanol, 2- propanol, 1-butanol, 1-pentanol, 1-hexanol, ethyl acetate, tetrahydrofuran, acetone, and water (pH 6.0) solvents were measured at T = (278.2, 288.2, 298.2, 308.2, and 318.2) K. The solubilities of trans-resveratrol in selected solvents increase with temperature, but decrease with increasing the number of carbon in alcohol solvents. The experimental data were correlated using a thermodynamic equation

Osmotic and apparent molar properties of binary mixtures alcohol+1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

OpenAIRE

Emilio Gomez; Noelia Simón; Ángeles Domínguez; Maria Eugénia Macedo

2013-01-01

In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich-Meyer type equation. This fit was used to obtain the corresp...

Selective Hydrogenolysis of Furfural Derivative 2-Methyltetrahydrofuran into Pentanediol Acetate and Pentanol Acetate over Pd/C and Sc(OTf)3 Cocatalytic System.

Science.gov (United States)

Zhang, Kun; Li, Xing-Long; Chen, Shi-Yan; Xu, Hua-Jian; Deng, Jin; Fu, Yao

2018-02-22

It is of great significance to convert platform molecules and their derivatives into high value-added alcohols, which have multitudinous applications. This study concerns systematic conversion of 2-methyltetrahydrofuran (MTHF), which is obtained from furfural, into 1-pentanol acetate (PA) and 1,4-pentanediol acetate (PDA). Reaction parameters, such as the Lewis acid species, reaction temperature, and hydrogen pressure, were investigated in detail. 1 H NMR spectroscopy and reaction dynamics study were also conducted to help clarify the reaction mechanism. Results suggested that cleavage of the primary alcohol acetate was less facile than that of the secondary alcohol acetate, with the main product being PA. A PA yield of 91.8 % (150 °C, 3 MPa H 2 , 30 min) was achieved by using Pd/C and Sc(OTf) 3 as a cocatalytic system and an 82 % yield of PDA was achieved (150 °C, 30 min) by using Sc(OTf) 3 catalyst. Simultaneously, the efficient conversion of acetic esters into alcohols by simple saponification was carried out and led to a good yield. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cleaner emissions from a DI diesel engine fueled with waste plastic oil derived from municipal solid waste under the influence of n-pentanol addition, cold EGR, and injection timing.

Science.gov (United States)

Damodharan, Dillikannan; Sathiyagnanam, Amudhavalli Paramasivam; Rajesh Kumar, Babu; Ganesh, Kuttalam Chidambaradhanu

2018-05-01

Urban planning and development is a decisive factor that increases the automobile numbers which leads to increased energy demand across the globe. In order to meet the escalating requirements of energy, it is necessary to find viable alternatives. Waste plastic oil (WPO) is one such alternative which has dual benefits as it reduces the environmental pollution caused by plastic waste and it could possibly meet the energy requirement along with fossil fuels. The study attempted to reduce emissions from a DI diesel engine fueled with WPO using 30% by volume of n-pentanol with fossil diesel (WPO70P30). EGR (10, 20, and 30%) and injection timing modifications were made with the intention to find optimum engine operating conditions. The experimental results indicated that addition of renewable component like n-pentanol had improved the combustion characteristics by igniting WPO more homogeneously producing a higher premixed combustion phase. Smoke density for WPO70P30 was found to be twice lower than that of neat WPO at standard injection timing of 23°CA bTDC at any given EGR rate, NOx emissions were slightly on the higher side about 12% for WPO70P30 blend against WPO at same operating conditions. WPO70P30 showed lowest smoke and carbon monoxide emissions than diesel and WPO while delivering BTE's higher than WPO and closer to diesel at all EGR and injection timings. However NOx and HC emissions increased with n-pentanol addition. The use of EGR reduced NOx emissions but was found to aggravate other emissions. It was concluded WPO70P30 can be favorably used in a DI diesel engine at the engines advanced injection timing for better performance than diesel with a slight penalty in NOx emissions.

Investigation on molecular interactions of binary mixtures of isobutanol with 1-alkanols (C1 - C6) at different temperatures. Application of the Peng-Robinson-Stryjek-Vera (PSRV) equation of state (EOS)

Science.gov (United States)

Khanlarzadeh, K.; Iloukhani, H.; Soleimani, M.

2017-07-01

Densities were measured for binary mixtures of isobutanol with 1-alkanols, namely: methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-hexanol at the temperatures of (288.15, 298.15 and 308.15) K and ambient pressure. Excess molar volumes, VmE , thermal expansion coefficients α, excess thermal expansion coefficients αE, and isothermal coefficients of pressure excess molar enthalpy, (∂HmE / ∂ P) T , x , were derived from the experimental data and the computed results were fitted to the Redlich-Kister equation. The Peng-Robinson-Stryjek-Vera (PRSV) equation of state was applied, in combination with simple mixing rules to predict the excess molar volume. The VmE results were positive for the mixtures of isobutanol with methanol, ethanol, 1-propanol, 1-butanol, and negative for isobutanol with 1-pentanol and 1-hexanol over the whole composition range. The results showed very small deviations from the behavior of ideal solutions in these mixtures and were analyzed to discuss the nature and strength of intermolecular interactions.

Thermodynamic investigation of methyl salicylate/1-pentanol binary system in the temperature range from 278.15K to 303.15K

International Nuclear Information System (INIS)

Tsierkezos, Nikos G.; Molinou, Ioanna E.

2007-01-01

Densities (ρ), speeds of sound (u), isentropic compressibilities (k s ), refractive indices (n D ), and surface tensions (σ) of binary mixtures of methyl salicylate (MSL) with 1-pentanol (PEN) have been measured over the entire composition range at the temperatures of 278.15K, 288.15K, and 303.15K. The excess molar volumes (V E ), excess surface tensions (σ E ), deviations in speed of sound (Δu), deviations in isentropic compressibility (Δk s ), and deviations in molar refraction (ΔR) have been calculated. The excess thermodynamic properties V E , σ E , Δu, Δk s , and ΔR were fitted to the Redlich-Kister polynomial equation and the A k coefficients as well as the standard deviations (d) between the calculated and experimental values have been derived. The surface tension (σ) values have been further used for the calculation of the surface entropy (S S ) and the surface enthalpy (H S ) per unit surface area. The lyophobicity (β) and the surface mole fraction (x 2 S ) of the surfactant component PEN have been also derived using the extended Langmuir model. The results provide information on the molecular interactions between the unlike molecules that take place at the surface and the bulk

Molecular dynamics of tert-butanol studied by neutron transmission

International Nuclear Information System (INIS)

Amaral, L.Q.; Fulfaro, R.; Vinhas, L.A.

1974-01-01

Neutron transmission of the globular compound tert-butanol (CH 3 ) 3 COH have been measured in the temperature interval O 0 C to 40 0 C for 6.13 A neutrons and in the neutron wavelength range 4A to 7.5A in the liquid and solid states. Results show that the cross-section difference at the state transition in 24 0 C is 13%, while it is only approximately 1% at the first order phase transition in 14 0 C. Evidence of existence of third crystalline phase with the lowest cross-section has been found. The barrier to interval methyl rotation in the solid states is estimated as (3.=+ - 0.5) Kcal/mol and does change much over the phase and state transitions. The observed dynamical changes must be due to movements of the whole molecule and evidence that tert-butanol is not in the strict sense a plastic crystal. Correlation with heat capacity results is discussed

Thermodynamic investigation of methyl salicylate/1-pentanol binary system in the temperature range from 278.15K to 303.15K

Energy Technology Data Exchange (ETDEWEB)

Tsierkezos, Nikos G. [Institut fuer Chemie, Humboldt-Universitaet zu Berlin, Brook-Taylor-Strasse 2, D-12489 Berlin (Germany)]. E-mail: tsierkezos@chemie.hu-berlin.de; Molinou, Ioanna E. [Physical Chemistry Laboratory, Department of Chemistry, University of Athens, Panepistimiopolis, Athens 15771 (Greece)]. E-mail: imolinou@chem.uoa.gr

2007-08-15

Densities ({rho}), speeds of sound (u), isentropic compressibilities (k{sub s}), refractive indices (n{sub D}), and surface tensions ({sigma}) of binary mixtures of methyl salicylate (MSL) with 1-pentanol (PEN) have been measured over the entire composition range at the temperatures of 278.15K, 288.15K, and 303.15K. The excess molar volumes (V{sup E}), excess surface tensions ({sigma}{sup E}), deviations in speed of sound ({delta}u), deviations in isentropic compressibility ({delta}k{sub s}), and deviations in molar refraction ({delta}R) have been calculated. The excess thermodynamic properties V{sup E}, {sigma}{sup E}, {delta}u, {delta}k{sub s}, and {delta}R were fitted to the Redlich-Kister polynomial equation and the A{sub k} coefficients as well as the standard deviations (d) between the calculated and experimental values have been derived. The surface tension ({sigma}) values have been further used for the calculation of the surface entropy (S{sup S}) and the surface enthalpy (H{sup S}) per unit surface area. The lyophobicity ({beta}) and the surface mole fraction (x{sub 2}{sup S}) of the surfactant component PEN have been also derived using the extended Langmuir model. The results provide information on the molecular interactions between the unlike molecules that take place at the surface and the bulk.

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Volatile metabolites associated with one aflatoxigenic and one nontoxigenic Aspergillus flavus strain grown on two different substrates

Directory of Open Access Journals (Sweden)

Z. Jurjevic

2009-01-01

Full Text Available Aflatoxigenic and non-toxigenic Aspergillus flavus strains were grown on corn and on peanut substrates. Microbial volatile organic compounds (MVOCS were collected by trapping headspace volatiles using thermal desorption tubes (TDT packed with Tenax® TA and Carbotrap™ B. Samples were collected at various fungal growth stages. Trapped compounds were thermally desorbed from the adsorbent tubes, separated by gas chromatography, and identified by mass spectrometry. The fungal stage did not have many differences in the MVOCs but the concentrations of some volatiles changed over time depending on the substrate. Volatiles that were associated with both the aflatoxigenic A. flavus strain and the nontoxigenic strain on both substrates included: ethanol, 1-propanol, butanal, 2-methyl-1-propanol, 3-methylfuran, ethyl acetate, 1-butanol, 3-methylbutanal, 3-methyl-1-butanol, propanoic acid-2-methyl-ethyl-ester, 2-methyl-1-butanol, 1-pentanol, 2-pentanol, 3-methyl-3-buten-1-ol, benzaldehyde, 3-octanone, 2-ethyl-1-hexanol and octane. Volatiles that were associated only with the aflatoxigenic A. flavus strain included: dimethyl disulfide and nonanal. Volatiles that were associated only with the nontoxigenic A. fl avus strain included: hexanal, 1-hexanol, 1-octene-3-ol, 1-octen-3-one and 2-pentyl furan.

The effect of tert-butanol on the formation of Cr2O3 nanoparticles by gamma radiolysis

International Nuclear Information System (INIS)

Alrehaily, L.M.; Joseph, J.M.; Wren, J.C.

2014-01-01

Gamma irradiation of an aqueous solution initially containing 0.1 - 10 mM Cr(VI) led to the formation of uniform-sized nanoparticles in the range of 9-30 nm depending on the initial concentration. The particles were characterized using FT-IR and found to be composed of Cr 2 O 3 . Addition of tert-butanol (an ·OH scavenger) was found to be very effective in increasing the particle size to the range of 20-60 nm. (author)

The Mobile Phase Motion in Ascending Micellar Thin-Layer Chromatography with Normal-Phase Plates

NARCIS (Netherlands)

Boichenko, Alexander P.; Makhno, Iryna V.; Renkevich, Anton Yu.; Loginova, Lidia P.

2011-01-01

The physical chemical characteristics (surface tension and viscosity) of micellar mobile phases based on the cationic surfactant cetylpiridinium chloride and additives of alcohols (ethanol, 1-propanol, 1-butanol, 1-pentanol) have been obtained in this work. The effect of mobile phase properties on

Densities and volume properties of (water + tert-butanol) over the temperature range of (274.15 to 348.15) K at pressure of 0.1 MPa

International Nuclear Information System (INIS)

Egorov, Gennadiy I.; Makarov, Dmitriy M.

2011-01-01

The densities of {water (1) + tert-butanol (2)} binary mixture were measured over the temperature range (274.15 to 348.15) K at atmospheric pressure using 'Anton Paar' digital vibrating-tube densimeter. Density measurements were carried out over the whole concentration range at (308.15 to 348.15) K. The following volume parameters were calculated: excess molar volumes and thermal isobaric expansivities of the mixture, partial molar volumes and partial molar thermal isobaric expansivities of the components. Concentration dependences of excess molar volumes were fitted with Redlich-Kister equation. The results of partial molar volume calculations using four equations were compared. It was established that for low alcohol concentrations at T ≤ 208 K the inflection points at x 2 ∼ 0.02 were observed at concentration dependences of specific volume. The concentration dependences of partial molar volumes of both water and tert-butanol had extremes at low alcohol content. The temperature dependence of partial molar volumes of water had some inversion at x 2 ∼ 0.65. The temperature dependence of partial molar volumes of tert-butanol at infinite dilution had minimum at ∼288 K. It was discovered that concentration dependences of thermal isobaric expansivities of the mixture at small alcohol content and low temperatures passed through minimum.

Vapour pressures, osmotic and activity coefficients for binary mixtures containing (1-ethylpyridinium ethylsulfate + several alcohols) at T = 323.15 K

International Nuclear Information System (INIS)

Calvar, Noelia; Gomez, Elena; Dominguez, Angeles; Macedo, Eugenia A.

2010-01-01

Osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1-ethylpyridinium ethylsulfate were determined at T = 323.15 K using the vapour pressure osmometry technique. From the experimental results, vapour pressure and activity coefficients can be determined. For the correlation of osmotic coefficients, the extended Pitzer model modified by Archer, and the modified NRTL (MNRTL) model were used, obtaining deviations lower than 0.017 and 0.047, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the binary mixtures studied were determined from the parameters obtained with the extended Pitzer model modified by Archer.

Isothermal vapour–liquid equilibrium of binary systems containing polyoxyethylene dodecanoate and alcohols

International Nuclear Information System (INIS)

Khoiroh, Ianatul; Lee, Ming-Jer

2013-01-01

Highlights: ► An autoclave apparatus was used to measure binary vapor-liquid equilibrium data. ► The studied systems are polyoxyethylene dodecanoate with 2-butanol, tert-butanol, and 1-pentanol. ► The saturated pressure data were fitted accurately to the Antoine equation. ► The UNIQUAC, the NRTL, and the Flory–Huggins models correlated well the phase equilibrium data. ► The solvent activities have been calculated. - Abstract: Isothermal vapour–liquid equilibrium (VLE) data have been measured with a static method for three binary systems of polyoxyethylene dodecanoate {(POEDDA) + butan-2-ol} at T = (333.4 to 424.5) K, (POEDDA + tert-butanol) at (321.1 to 401.5) K, and (POEDDA + pentan-1-ol) at (340.2 to 419.4) K. Four feed compositions were studied over the concentration range of 0.099 to 0.432 of POEDDA mole fractions. The experimental results were fitted to the Antoine equation to regress the Antoine constants. These VLE data were further treated by using the Barker method to obtain the best fit of binary interaction parameters from the UNIQUAC, the NRTL, and the Flory–Huggins models. The results showed good agreement between the experimental and calculated values. The Flory–Huggins model yielded the best result with an overall average absolute relative deviation (AARD) of 2.1%. The solvent activities were also calculated and showed agree well with the calculated values from those three activity coefficient models.

Excess molar volumes and partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and p = 0.1 MPa

International Nuclear Information System (INIS)

Deenadayalu, N.; Bhujrajh, P.

2006-01-01

The excess molar volumes and the partial molar volumes for (propionitrile + an alkanol) at T = 298.15 K and at atmospheric pressure are reported. The hydrogen bonding between the OH133;NC groups are discussed in terms of the chain length of the alkanol. The alkanols studied are (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-pentanol). The excess molar volume data was fitted to the Redlich-Kister equation The partial molar volumes were calculated from the Redlich-Kister coefficients

ИНФОРМАТИВНОСТЬ АНАЛИЗАТОРА ГАЗОВ «ЭЛЕКТРОННЫЙ НОС» ДЛЯ ОЦЕНКИ КАЧЕСТВА ВИНА Татьяна Анатольевна Кучменко, Раиса Павловна Лисицкая, Анастасия Александровна Шуба

OpenAIRE

Kuchmenko, Т. А.; Lisitskaia, R. P.; Shuba, А. А.

2014-01-01

The sorption of volatile organic compounds which are components of the wine flavor has been studied on thin films of sorbents - modifiers of piezoelectric resonators electrodes forming an sensors array of gas analyzer "electronic nose". The resulting sensor array is trained on the main marker substance (ethanol, 1-butanol, 2-butanol, pentanol-2, ethanoic acid, ethyl acetate, water) and adapted to the flavor of wine. It has been established the correlation between sugar content in wine and int...

Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

KAUST Repository

Grajales Gonzalez, Edwing

2018-03-21

The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol

KAUST Repository

Grajales Gonzalez, Edwing Javier; Monge Palacios, Manuel; Sarathy, Mani

2018-01-01

The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with its favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Enols are important intermediates in the combustion of C4 alcohols, as well as in atmospheric processes. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular tautomerism of propen-2-ol ↔ acetone, which is included in butanol combustion kinetic models, is assigned rate parameters based on the tautomerism vinyl alcohol ↔ acetaldehyde as an analogy. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the titled reaction was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) ab initio calculations, with multistructural torsional anharmonicity and variational transition state theory considerations in a wide temperature and pressure range (200-3000 K; 0.1-108 kPa). Results differ from vinyl alcohol ↔ acetaldehyde analogue reaction, which shows lower rate constant values. It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed rate constants showed important differences in comparison with previous results, such as larger acetone yield and quicker propen-2-ol consumption.

Characterization of Microemulsions Prepared using Isopropyl ...

African Journals Online (AJOL)

HP

subjected to further characterization by polarized light microscopy, differential scanning calorimetry. (DSC) ... preparation and phase inversion. The aim .... propanol, D = butanol, E = pentanol .... and water-soluble compounds in triglycerides. In.

Micellar Liquid Chromatographic Determination of Carbaryl and 1-Naphthol in Water, Soil, and Vegetables

Directory of Open Access Journals (Sweden)

Mei-Liang Chin-Chen

2012-01-01

Full Text Available A liquid chromatographic procedure has been developed for the determination of carbaryl, a phenyl-N-methylcarbamate, and its main metabolite 1-naphthol, using a C18 column (250’mm’ × ’4.6’mm with a micellar mobile phase and fluorescence detection at maximum excitation/emission wavelengths of 225/333’nm, respectively. In the optimization step, surfactants sodium dodecyl sulphate (SDS, Brij-35 and N-cetylpyridinium chloride monohydrate, and organic solvents propanol, butanol, and pentanol were considered. The selected mobile phase was 0.15’M SDS-6% (v/v-pentanol-0.01’M NaH2PO4 buffered at pH 3. Validation studies, according to the ICH Tripartite Guideline, included linearity (r>0.999, limit of detection (5 and 18’ng mL-1, for carbaryl and 1-naphthol, resp., and limit of quantification (15 and 50’ng mL-1, for carbaryl and 1-naphthol, resp., with intra- and interday precisions below 1%, and robustness parameters below 3%. The results show that the procedure was adequate for the routine analysis of these two compounds in water, soil, and vegetables samples.

Synergic effects in the extraction of paracetamol from aqueous NaCl solution by the binary mixtures of diethyl ether and low molecular weight primary alcohols

Science.gov (United States)

Nikolić, G. M.; Živković, J. V.; Atanasković, D. S.; Nikolić, M. G.

2013-12-01

Liquid-liquid extraction of paracetamol from aqueous NaCl solutions was performed with diethyl ether, 1-propanol, 1-butanol, isobutanol, 1-pentanol, and binary mixtures diethyl ether/1-propanol, diethyl ether/1-butanol, and diethyl ether/isobutanol. Among the pure solvents investigated in this study best extraction efficacy was obtained with 1-butanol. Synergic effects in the extraction with binary mixtures was investigated and compared with some other systems used for the extraction of poorly extractable compounds. Results obtained in this study may be of both fundamental and practical importance.

Excess molar volumes and viscosities of (1,1,2,2-tetrabromoethane + 1-alkanols) at T = (293.15 and 303.15) K

International Nuclear Information System (INIS)

Al-Hayan, M.N.M.; Abdul-latif, Abdul-Haq M.

2006-01-01

Density and viscosity measurements for binary mixtures of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-hexanol, or + 1-heptanol, or + 1-octanol, or + 1-decanol) at T = (293.15 and 303.15) K, have been conducted at atmospheric pressure. The excess molar volumes V E , have been calculated from the experimental measurements, and the results were fitted to Redlich-Kister equation. The viscosity data were correlated with the model of Grunberg and Nissan, and McAllister four-body model. The excess molar volumes of (1,1,2,2-tetrabromoethane + 1-pentanol, or + 1-haxanol, or + 1-heptanol, or + 1-octanol) had a sigmoidal shape and the values varied from negative to positive with the increase in the molar fraction of 1,1,2,2-tetrabromoethane. The remaining binary mixture of (1,1,2,2-tetrabromoethane + 1-decanol) was positive over the entire composition range. The effects of the 1-alkanol chain length as well as the temperature on the excess molar volume have been studied. The results have been qualitatively used to explain the molecular interaction between the components of these mixtures

A comparative analysis on combustion and emissions of some next generation higher-alcohol/diesel blends in a direct-injection diesel engine

International Nuclear Information System (INIS)

Rajesh Kumar, B.; Saravanan, S.; Rana, D.; Nagendran, A.

2016-01-01

Highlights: • Four higher-alcohols namely, iso-butanol, n-pentanol, n-hexanol and n-octanol, were used. • Iso-butanol/diesel blend presented longest ignition delay, highest peak pressures and peak heat release rates. • NOx emissions were high for n-pentanol/diesel and n-hexanol/diesel blends at high load conditions. • Smoke opacity is highest for n-octanol/diesel blend and lowest for iso-butanol/diesel blend. • HC emissions are high for iso-butanol/diesel and n-pentanol/diesel blends. - Abstract: Higher alcohols are attractive next generation biofuels that can be extracted from sugary, starchy and ligno-cellulosic biomass feedstocks using sustainable pathways. Their viability for use in diesel engines has greatly improved ever since extended bio-synthetic pathways have achieved substantial yields of these alcohols using engineered micro-organisms. This study sets out to compare and analyze the effects of some higher alcohol/diesel blends on combustion and emission characteristics of a direct-injection diesel engine. Four test fuels containing 30% by vol. of iso-butanol, n-pentanol, n-hexanol and n-octanol (designated as ISB30, PEN30, HEX30 and OCT30 respectively) in ultra-low sulfur diesel (ULSD) were used. Results indicated that ISB30 experienced longest ignition delay and produced highest peaks of pressure and heat release rates (HRR) compared to other higher-alcohol blends. The ignition delay, peak pressure and peak HRR are found to be in the order of (from highest to lowest): ISB30 > PEN30 > HEX30 > OCT30 > ULSD. The combustion duration (CD) for all test fuels is in the sequence (from shortest to longest): ISB30 OCT30 > HEX30 > PEN30 > ISB30. HC emissions are high for ISB30 and PEN30 while it decreased favorably for HEX30 and OCT30. It was of the order (from highest to lowest): ISB30 > PEN30 > ULSD > HEX30 > OCT30. CO emissions of the blends followed the trend of smoke emissions and remained lower than ULSD with the following order (from highest to

Volumetric properties of ternary (IL + 2-propanol or 1-butanol or 2-butanol + ethyl acetate) systems and binary (IL + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate) systems

International Nuclear Information System (INIS)

Bahadur, Indra; Deenadayalu, Nirmala; Tywabi, Zikhona; Sen, Sabyasachi; Hofman, Tadeusz

2012-01-01

Highlights: ► Experimental densities were determined at T = (298.15, 303.15, and 313.15) K. ► IL: methyl trioctylammonium bis(trifluoromethylsulfonyl)imide was used. ► Virial Based Mixing Rule correlation of the binary excess molar volume data. ► Binary excess molar volume was both negative and positive. ► Ternary excess molar volume data was correlated with the Cibulka equation. - Abstract: The experimental densities for the binary or ternary systems were determined at T = (298.15, 303.15, and 313.15) K. The ionic liquid methyl trioctylammonium bis(trifluoromethylsulfonyl)imide ([MOA] + [Tf 2 N] − ) was used for three of the five binary systems studied. The binary systems were ([MOA] + [Tf 2 N] − + 2-propanol or 1-butanol or 2-butanol) and (1-butanol or 2-butanol + ethyl acetate). The ternary systems were {methyl trioctylammonium bis(trifluoromethylsulfonyl)imide + 2-propanol or 1-butanol or 2-butanol + ethyl acetate}. The binary and ternary excess molar volumes for the above systems were calculated from the experimental density values for each temperature. The Redlich–Kister smoothing polynomial was fitted to the binary excess molar volume data. Virial-Based Mixing Rules were used to correlate the binary excess molar volume data. The binary excess molar volume results showed both negative and positive values over the entire composition range for all the temperatures. The ternary excess molar volume data were successfully correlated with the Cibulka equation using the Redlich–Kister binary parameters.

Preparation of H-mordenite/MCM-48 composite and its catalytic performance in the alkylation of toluene with tert-butanol

Science.gov (United States)

Zhou, Zhiwei; Cheng, Fuling; Qin, Juan; Yu, Pengcheng; Xu, Lin; Gu, Zhiqiang; Liu, Xiaoqin; Wu, Wenliang

2017-09-01

A series of HM/MCM-48 samples with different SiO2/Al2O3 molar ratio were prepared by sol-gel method. The prepared catalysts were characterized by XRD, N2 adsorption-desorption, NH3-TPD, FT-IR, SEM, and TEM techniques, and their catalytic performance was investigated in alkylation of toluene with tert-butanol. The adsorption capacity and the acid sites amount of HM/MCM-48-4 sample prepared by growing MCM-48 on the surface of HM zeolite are much higher than that of their mechanical mixture (HM/MCM-48(4) sample) due to its biporous structure; it shows higher catalytic performance than other HM/MCM-48 samples. The influence of reaction conditions on the catalytic performance of HM/MCM-48-4 zeolite was discussed. Toluene conversion of 41.4% and p-tert-butyltoluene selectivity of 73.5% were obtained at the weight ratio of toluene to HM/MCM-48-4 of 5, reaction temperature of 453 K, reaction time of 5 h and the molar ratio of toluene to tert-butanol of 0.5.

Emission and performance analysis on the effect of exhaust gas recirculation in alcohol-biodiesel aspirated research diesel engine.

Science.gov (United States)

Mahalingam, Arulprakasajothi; Munuswamy, Dinesh Babu; Devarajan, Yuvarajan; Radhakrishnan, Santhanakrishnan

2018-05-01

In this study, the effect of blending pentanol to biodiesel derived from mahua oil on emissions and performance pattern of a diesel engine under exhaust gas recirculation (EGR) mode was examined and compared with diesel. The purpose of this study is to improve the feasibility of employing biofuels as a potential alternative in an unmodified diesel engine. Two pentanol-biodiesel blends denoted as MOBD90P10 and MOBD80P20 which matches to 10 and 20 vol% of pentanol in biodiesel, respectively, were used as fuel in research engine at 10 and 20% EGR rates. Pentanol is chosen as a higher alcohol owing to its improved in-built properties than the other first-generation alcohols such as ethanol or methanol. Experimental results show that the pentanol and biodiesel blends (MOBD90P10 and MOBD80P20) have slightly higher brake thermal efficiency (0.2-0.4%) and lower brake-specific fuel consumption (0.6 to 1.1%) than that of neat biodiesel (MOBD100) at all engine loads. Nitrogen oxide (NOx) emission and smoke emission are reduced by 3.3-3.9 and 5.1-6.4% for pentanol and biodiesel blends compared to neat biodiesel. Introduction of pentanol to biodiesel reduces the unburned hydrocarbon (2.1-3.6%) and carbon monoxide emissions (3.1-4.2%) considerably. In addition, at 20% EGR rate, smoke, NO X emissions, and BTE drop by 7.8, 5.1, and 4.4% respectively. However, CO, HC emissions, and BSFC increased by 2.1, 2.8, and 3.8%, respectively, when compared to 0% EGR rate.

Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems

International Nuclear Information System (INIS)

Bejarano, Arturo; Gutierrez, Jorge E.; Araus, Karina A.; Fuente, Juan C. de la

2011-01-01

Research highlights: → (Vapor + liquid) equilibria of three (CO 2 + C 5 alcohol) binary systems were measured. → Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. → No liquid immiscibility was observed at the temperatures and pressures studied. → Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. → Correlation results showed relative deviations ≤8 % (liquid) and ≤2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO 2 + 3-methyl-2-butanol), (CO 2 + 2-pentanol), and (CO 2 + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO 2 + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

Emission of VOC's from modified rendering process

International Nuclear Information System (INIS)

Bhatti, Z.A.; Raja, I.A.; Saddique, M.; Langenhove, H.V.

2005-01-01

Rendering technique for processing of dead animal and slaughterhouse wastes into valuable products. It involves cooking of raw material and later Sterilization was added to reduce the Bovine Spongiform Encephalopathy (BSE). Studies have been carried out on rendering emission, with the normal cooking process. Our study shows, that the sterilization step in rendering process increases the emission of volatile organic compounds (VOC's). Gas samples, containing VOC's, were analyzed by the GC/MS (Gas Chromatograph and Mass Spectrometry). The most important groups of compounds- alcohols and cyclic hydrocarbons were identified. In the group of alcohol; 1-butanol, l-pentanol and l-hexanol compounds were found while in the group of cyclic hydrocarbon; methyl cyclopentane and cyclohexane compounds were detected. Other groups like aldehyde, sulphur containing compounds, ketone and furan were also found. Some compounds, like l-pentanol, 2-methyl propanal, dimethyl disulfide and dimethyl trisulfide, which belong to these groups, cause malodor. It is important to know these compounds to treat odorous gasses. (author)

Theoretical Kinetic Study of the Unimolecular and H-Assisted Keto-Enol Tautomerism Propen-2-ol ↔Acetone. Pressure Effects and Implications in the Pyrolysis and Oxidation of tert- And 2-Butanol

KAUST Repository

Grajales Gonzalez, Edwing Javier

2018-05-01

The need for renewable and cleaner sources of energy has made biofuels an interesting alternative to fossil fuels, especially in the case of butanol isomers, with their favorable blend properties and low hygroscopicity. Although C4 alcohols are prospective fuels, some key reactions governing their pyrolysis and combustion have not been adequately studied, leading to incomplete kinetic models. Butanol reactions kinetics is poorly understood. Specifically, the unimolecular and H-assisted tautomerism of propen-2-ol to acetone, which are included in butanol combustion kinetic models, are assigned rate parameters based on the analogous unimolecular tautomerism vinyl alcohol ↔ acetaldehyde and H addition to the double bound of iso-butene, respectively. In an attempt to update current kinetic models for tert- and 2-butanol, a theoretical kinetic study of the unimolecular and H-assisted tautomerism, i-C3H5OH⟺CH3COCH3 and i-C3H5OH+Ḣ⟺CH3COCH3+Ḣ, was carried out by means of CCSD(T,FULL)/aug-cc-pVTZ//CCSD(T)/6-31+G(d,p) and CCSD(T)/aug-cc-pVTZ//M062X/cc-pVTZ ab initio calculations, respectively. For H-assisted tautomerism, the reaction takes place in two consecutive steps: i-C3H5OH+Ḣ⟺CH3ĊOHCH3 and CH3ĊOHCH3⟺CH3COCH3+Ḣ. Multistructural torsional anharmonicity and variational transition state theory were considered in a wide temperature and pressure range (200 K – 3000 K, 0.1 kPa – 108 kPa). It was observed that decreasing pressure leads to a decrease in rate constants, describing the expected falloff behavior for both isomerizations. Results for unimolecular tautomerism differ from vinyl alcohol ↔ acetaldehyde analogue reactions, which shows lower rate constant values. Tunneling turned out to be important, especially at low temperatures. Accordingly, pyrolysis simulations in a batch reactor for tert- and 2-butanol with computed unimolecular rate constants showed important differences in comparison with previous results, such as larger acetone yield and

Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO{sub 2} + alkanol) binary systems

Energy Technology Data Exchange (ETDEWEB)

Bejarano, Arturo; Gutierrez, Jorge E. [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Araus, Karina A. [Departamento de Ingenieria Quimica y Bioprocesos, Pontificia Universidad Catolica de Chile, Avda. Vicuna Mackenna 4860, Macul, Santiago (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

2011-05-15

Research highlights: (Vapor + liquid) equilibria of three (CO{sub 2} + C{sub 5} alcohol) binary systems were measured. Complementary data are reported at (313, 323 and 333) K and from (2 to 11) MPa. No liquid immiscibility was observed at the temperatures and pressures studied. Experimental data were correlated with the PR-EoS and the van de Waals mixing rules. Correlation results showed relative deviations {<=}8 % (liquid) and {<=}2 % (vapor). - Abstract: Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO{sub 2} + 3-methyl-2-butanol), (CO{sub 2} + 2-pentanol), and (CO{sub 2} + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO{sub 2} + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions <8% and <2% for the liquid and vapor phase, respectively.

Vapor-liquid equilibria for the acetone-ethanol-n-propanol-tert-butanol-water system

Energy Technology Data Exchange (ETDEWEB)

Tochigi, K.; Uchida, K.; Kojima, K.

1981-12-01

This study deals with the measurement of vapor-liquid equilibria for the five-component system acetone-ethanol-n-propanol-tert-butanol-water at 760 mmHg and prediction of vapor-liquid equilibria by the ASOG group contribution method. The five-component system in this work is composed of a part of the components obtained during ethanol production by vapor-phase hydration of ethylene. 6 refs.

Solvent extraction of Th(IV) from aqueous solution with methylimidazole in ionic liquid

Energy Technology Data Exchange (ETDEWEB)

Li, Wenkui; Lv, Hui; Liu, Ziyi; Wu, Jianrong; Li, Shun; Shen, Yinglin [Lanzhou Univ. (China). Radiochemistry Lab.; Yang, Shenghua [State Key Laboratory of Applied Organic Chemistry, Lanzhou (China)

2016-07-01

An extraction of Th(IV) was performed using 1-methylimidazole (1-MIM) or 2-methylimidazole (2-MIM) as the extractant in imidazolium type ionic liquids (ILs) or n-pentanol. The extractability for Th{sup 4+} in ILs was by far higher than that obtained in n-pentanol. The extraction mechanism was determined by slope analysis and ESI-MS. The transfer of Th{sup 4+} with MIM into ILs proceeded through both a cationic exchange and a neutral solvation mechanism, whereas the partitioning of Th{sup 4+} with MIM into n-pentanol only underwent a neutral solvation mechanism. The thermodynamic parameters values (ΔH, ΔS and ΔG) for extraction of Th{sup 4+} with 1-MIM in IL were calculated and the results indicated the extraction reaction was spontaneous and went through endothermic process. Separation of Th{sup 4+} from the solution of lanthanides (III) and uranium was also carried out by 1-MIM in ILs and n-pentanol.

Osmotic coefficients and apparent molar volumes of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid in alcohols

International Nuclear Information System (INIS)

González, Emilio J.; Calvar, Noelia; Macedo, Eugénia A.

2014-01-01

Highlights: • Physical and osmotic properties of [HMim][TfO] in alcohols are reported. • Apparent molar properties and osmotic coefficients were obtained. • Apparent molar volumes were fitted using a Redlich–Meyer type equation. • The osmotic coefficients were modeled with the Extended Pitzer and the MNRTL models. -- Abstract: In this work, density for the binary mixtures of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate in alcohols (1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol) was measured at T = 323.15 K and atmospheric pressure. From this property, the corresponding apparent molar volumes were calculated and fitted to a Redlich–Meyer type equation. For these mixtures, the osmotic and activity coefficients, and vapor pressures of these binary systems were also determined at the same temperature using the vapor pressure osmometry technique. The experimental osmotic coefficients were modeled by the Extended Pitzer model of Archer. The parameters obtained in this correlation were used to calculate the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures

A comprehensive experimental and modeling study of 2-methylbutanol combustion

KAUST Repository

Park, Sungwoo

2015-05-01

2-Methylbutanol (2-methyl-1-butanol) is one of several next-generation biofuels that can be used as an alternative fuel or blending component for combustion engines. This paper presents new experimental data for 2-methylbutanol, including ignition delay times in a high-pressure shock tube and premixed laminar flame speeds in a constant volume combustion vessel. Shock tube ignition delay times were measured for 2-methylbutanol/air mixtures at three equivalence ratios, temperatures ranging from 750 to 1250. K, and at nominal pressures near 20 and 40. bar. Laminar flame speed data were obtained using the spherically propagating premixed flame configuration at pressures of 1, 2, and 5. bar. A detailed chemical kinetic model for 2-methylbutanol oxidation was developed including high- and low-temperature chemistry based on previous modeling studies on butanol and pentanol isomers. The proposed model was tested against new and existing experimental data at pressures of 1-40. atm, temperatures of 740-1636. K, equivalence ratios of 0.25-2.0. Reaction path and sensitivity analyses were conducted for identifying key reactions at various combustion conditions, and to obtain better understanding of the combustion characteristics of larger alcohols.

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.

Concentration dependence of the partial volume, viscosity, and electric conductivity of solutions of lithium salts in aliphatic alcohols

International Nuclear Information System (INIS)

Eliseeva, O.V.; Golubev, V.V.

2003-01-01

Concentration dependence of partial volumes, electric conductivity and viscosity of lithium nitrate and chloride solutions in methanol, propanol, isopropanol, butanol, isobutanol, pentanol and isopentanol at 298.15 K were studied by the methods of densimetry, conductometry and viscosimetry. Structural specific features of the solutions studied are discussed on the basis of the calculated volumetric characteristics of the substance dissolved and solvent [ru

in Binary Liquid Mixtures of Ethyl benzoate

Directory of Open Access Journals (Sweden)

Shaik Babu

2012-01-01

Full Text Available Ultrasonic velocity is measured at 2MHz frequency in the binary mixtures of Ethyl Benzoate with 1-Propanol, 1-Butanol, 1-Pentanol and theoretical values of ultrasonic velocity have been evaluated at 303K using Nomoto's relation, Impedance relation, Ideal mixture relation, Junjie's method and free length theory. Theoretical values are compared with the experimental values and the validity of the theories is checked by applying the chi-square test for goodness of fit and by calculating the average percentage error (APE. A good agreement has been found between experimental and Nomoto’s ultrasonic velocity.

Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO2 + alcohol) binary systems

International Nuclear Information System (INIS)

Gutierrez, Jorge E.; Bejarano, Arturo; Fuente, Juan C. de la

2010-01-01

An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at 2 + 1-propanol), (CO 2 + 2-methyl-1-propanol), (CO 2 + 3-methyl-1-butanol), and (CO 2 + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO 2 + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrabromoethane and 1-alkanols binary mixtures

International Nuclear Information System (INIS)

Al-Hayan, M.N.M.; Al-Bader, Maher A.M.

2006-01-01

Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for (1,1,2,2-tetrabromoethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol) have been determined at T = 293.15 K and at T = 303.15 K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrabromoethane are discussed. In addition, the refractive indices are compared with calculated values using mixing rules proposed by several authors, and a good agreement is obtained

Densities, excess molar volumes, and refractive indices of 1,1,2,2-tetrachloroethane and 1-alkanols binary mixtures

International Nuclear Information System (INIS)

Al-Hayan, M.N.M.

2006-01-01

Densities, excess molar volumes, refractive indices, and changes in refractive index on mixing for 1,1,2,2-tetrachloroethane + 1-pentanol, or 1-hexanol, or 1-heptanol, or 1-octanol, or 1-decanol have been determined at T = (293.15 and 303.15) K. The excess molar volumes and changes in refractive index have been fitted to Redlich-Kister polynomials. The effect of the chain length of the 1-alkanol on the excess molar volume and the change in the refractive index of its mixtures with 1,1,2,2-tetrachloroethane was discussed. In addition, the refractive indices were compared with calculated values using mixing rules proposed by several authors, and a very good agreement was obtained

Micellar Liquid Chromatography for the Determination of Some Less Prescribed Benzodiazepines

Directory of Open Access Journals (Sweden)

Hoonka Subhra

2012-01-01

Full Text Available A simple chromatographic procedure is reported for the determination of some less prescribed but equally important benzodiazepines (Clotiazepam, clozapine and pinazepam in serum. The optimization studies have been made in CN, C18 and C8 columns, using mobile phase containing sodium dodecyl sulphate (SDS modified with either propanol, butanol or pentanol. The method proposed for the determination of the three benzodiazepines using a mobile phase of 0.13 M SDS, 2.4% pentanol-0.01 M phosphate buffer- 0.1% triethylamine (pH 7 at 25°C and UV detection (240 nm in a C8 column. The serum samples was injected directly, without any pretreatment, eluted in less than 8 min, in accordance to their relative polarities, as indicated by their octanol-water partition coefficients. The limits of detection (ng/mL was in the 1.6 to 5.6 and 7 to 87 range, for aqueous and serum samples, respectively. Repeatability and intermediate precision was tested for three different concentrations of the drugs, resulting in the 0.1 to 2 range. The results obtained here for the separation of the three benzodiazepines in serum were also counter checked at Department of Bio-analytical Chemistry, Universitat Jaume I, Castelló, Spain.

Reaction Mechanisms and HCCI Combustion Processes of Mixtures of n-Heptane and the Butanols

Directory of Open Access Journals (Sweden)

Hu eWang

2015-03-01

Full Text Available A reduced primary reference fuel (PRF-Alcohol-Di-tert-butyl Peroxide (DTBP mechanism with 108 species and 435 reactions, including sub-mechanisms of PRF, methanol, ethanol, DTBP and the four butanol isomers, is proposed for homogeneous charge compression ignition (HCCI engine combustion simulations of butanol isomers/n-heptane mixtures. HCCI experiments fuelled with butanol isomer/n-heptane mixtures on two different engines are conducted for the validation of proposed mechanism. The mechanism has been validated against shock tube ignition delays, laminar flame speeds, species profiles in premixed flames and engine HCCI combustion data, and good agreements with experimental results are demonstrated under various validation conditions. It is found that although the reactivity of neat tert-butanol is the lowest, mixtures of tert-butanol/n-heptane exhibit the highest reactivity among the butanol isomer/n-heptane mixtures if the n-heptane blending ratio exceeds 20% (mole. Kinetic analysis shows that the highest C-H bond energy in the tert-butanol molecule is partially responsible for this phenomenon. It is also found that the reaction tC4H9OH+CH3O2 =tC4H9O+CH3O2H plays important role and eventually produces the OH radical to promote the ignition and combustion. The proposed mechanism is able to capture HCCI combustion processes of the butanol/n-heptane mixtures under different operating conditions. In addition, the trend that tert-butanol /n-heptane has the highest reactivity is also captured in HCCI combustion simulations. The results indicate that the current mechanism can be used for HCCI engine predictions of PRF and alcohol fuels.

Measurement and modeling of high-pressure (vapour + liquid) equilibria of (CO{sub 2} + alcohol) binary systems

Energy Technology Data Exchange (ETDEWEB)

Gutierrez, Jorge E.; Bejarano, Arturo [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la, E-mail: juan.delafuente@usm.c [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Centro Regional de Estudios en Alimentos Saludables, Blanco 1623, Valparaiso (Chile)

2010-05-15

An apparatus based on a static-analytic method assembled in this work was utilized to perform high pressure (vapour + liquid) equilibria measurements with uncertainties estimated at <5%. Complementary isothermal (vapour + liquid) equilibria results are reported for the (CO{sub 2} + 1-propanol), (CO{sub 2} + 2-methyl-1-propanol), (CO{sub 2} + 3-methyl-1-butanol), and (CO{sub 2} + 1-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 12) MPa. For all the (CO{sub 2} + alcohol) systems, it was visually monitored to insure that there was no liquid immiscibility at the temperatures and pressures studied. The experimental results were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapour + liquid) equilibria compositions were found to be in good agreement with the experimental values with deviations for the mol fractions <0.12 and <0.05 for the liquid and vapour phase, respectively.

An Expeditious Synthesis of [1,2]Isoxazolidin-5-ones and [1,2]Oxazin-6-ones from Functional Allyl Bromide Derivatives

Directory of Open Access Journals (Sweden)

Imen Beltaïef

2010-06-01

Full Text Available Reaction of allyl bromide (Z-1 and (Z-2 with N-substituted hydroxylamine hydrochlorides in presence of tert-butoxide in tert-butanol at reflux provides a short and effective route to [1,2]isoxazolidin-5-ones 3 and [1,2]oxazin-6-ones 4.

Dielectric study of molecular association in the binary mixtures (2-ethyl-1-hexanol + alcohol) and (cyclohexane + alcohol) at 298.2 K

Energy Technology Data Exchange (ETDEWEB)

Ghanadzadeh, A. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)]. E-mail: aggilani@guilan.ac.ir; Ghanadzadeh, H. [Department of Chemical Engineering, Guilan University, Rasht (Iran, Islamic Republic of); Sariri, R. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of); Ebrahimi, L. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)

2005-04-15

Experimental results of dielectric investigations of three binary mixtures (ethanol + 2-ethyl-1-hexanol), (n-butanol + 2-ethyl-1-hexanol), and (tert-butanol + 2-ethyl-1-hexanol) were reported for various mole fractions at 298.2 K. The variations of dipole moment and correlation factor, g, with mole fraction in these mixtures were investigated using a unified quasichemical method described by Durov. The molecular associations of (ethanol + cyclohexane), (n-butanol + cyclohexane), and (tert-butanol + cyclohexane) binary mixtures were also investigated using the static dielectric method. A similar trend was observed in the variation of the dipole moments with the solute mole fractions in the both binary systems (i.e., alcohol + 2-ethyl-1-hexanol and alcohol + cyclohexane)

FTIR and dielectric studies of molecular interaction between alkyl methacrylates and primary alcohols

International Nuclear Information System (INIS)

Dharmalingam, K.; Ramachandran, K.; Sivagurunathan, P.

2007-01-01

The molecular interaction between alkyl methacrylates (methyl methacrylate, ethyl methacrylate and butyl methacrylate) and primary alcohols (1-propanol, 1-butanol, 1-pentanol, 1-heptanol, 1-octanol and 1-decanol) has been studied in carbon tetrachloride by FTIR spectroscopic and dielectric methods. The results show that the most likely association between alcohol and ester is 1:1 complex through the free hydroxyl group of the alcohol and the carbonyl group of ester, and the alkyl chain length of both the alcohols and esters plays an important role in the determination of the strength of hydrogen bond (O-H:O=C) formed

Formation of self-assembled quantum dots of iron oxide thin films by spray pyrolysis from non-aqueous medium

International Nuclear Information System (INIS)

Desai, J.D.; Pathan, H.M.; Min, Sun-Ki; Jung, Kwang-Deog; Joo, Oh-Shim

2006-01-01

Quantum dots (QDs) of iron oxide have been deposited onto ITO coated glass substrates by spray pyrolysis technique, using ferric chloride (FeCl 3 .7H 2 O) in non-aqueous medium as a starting material. The non-aqueous solvents namely methanol, ethanol, propanol, butanol and pentanol were used as solvents. The effect of solvents on the film structure and morphology was studied. The structural, morphological, compositional and optical properties were studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX), and optical absorption measurement techniques

Higher alcohol–biodiesel–diesel blends: An approach for improving the performance, emission, and combustion of a light-duty diesel engine

International Nuclear Information System (INIS)

Imdadul, H.K.; Masjuki, H.H.; Kalam, M.A.; Zulkifli, N.W.M.; Alabdulkarem, Abdullah; Rashed, M.M.; Teoh, Y.H.; How, H.G.

2016-01-01

Highlights: • The fuel properties of higher alcohol blended biodiesel were improved. • Higher alcohol shows remarkable increase in the BP, BTE and decrease the BSFC. • Alcohols mixed with biodiesel diminishes HC, CO and smoke significantly. • CO 2 emissions of pentanol blended fuel decreases at maximum speed. • Higher alcohol blended biodiesel showed improved combustion. - Abstract: Pentanol is a long-chain alcohol with five carbons in its molecular structure and is produced from renewable feedstock, which may help to improve the challenging problems of energy security and environmental issues. In this investigation, the performance, emission, and combustion characteristics of a single-cylinder, four-stroke, water-cooled, direct-injection diesel engine were evaluated by using 10%, 15%, and 20% pentanol and Calophyllum inophyllum (CI) biodiesel blends in diesel under different speed conditions. The fuel properties of the blended fuels were measured and compared. Combustion attributes, such as cylinder pressure and heat-release rate, were also analyzed. Results indicated that increasing the proportion of pentanol in biodiesel blends improved the fuel properties compared with 20% blend of CI biodiesel (CI 20). The modified blends of pentanol showed reduced brake-specific fuel consumption with higher brake thermal efficiency and brake power than CI 20. Although the modified test blends showed a slightly higher nitric oxide emission, the carbon monoxide emission and unburned hydrocarbon emission for 15% and 20% blends of pentanol showed even better reduction than CI 20. Smoke emission was also reduced significantly. The carbon dioxide emission of the test blends were reduced at the maximum speed condition compared to CI 20. In terms of combustion, the modified test fuels exhibited a significant improvement, thus indicating better performance and emission. This study concluded that the 15% and 20% blends of biodiesel, diesel, and pentanol can optimize engine

Osmotic and apparent molar properties of binary mixtures alcohol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

International Nuclear Information System (INIS)

González, Emilio J.; Calvar, Noelia; Domínguez, Ángeles; Macedo, Eugénia A.

2013-01-01

Highlights: ► Osmotic and physical properties of binary mixtures {alcohol + [BMim][TfO]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer model. -- Abstract: In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich–Meyer type equation. This fit was used to obtain the corresponding apparent molar properties at infinite dilution. On the other hand, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The Extended Pitzer model of Archer was employed to correlate the experimental osmotic coefficients. From the parameters obtained in the correlation, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated

Measurement and modeling of osmotic coefficients of binary mixtures (alcohol + 1,3-dimethylpyridinium methylsulfate) at T = 323.15 K

International Nuclear Information System (INIS)

Gomez, Elena; Calvar, Noelia; Dominguez, Angeles; Macedo, Eugenia A.

2011-01-01

Research highlights: → The osmotic coefficients of binary mixtures (alcohol + ionic liquid) were determined. → The measurements were carried out with a vapor pressure osmometer at 323.15 K. → The Pitzer-Archer, and the MNRTL models were used to correlate the experimental data. → Mean molal activity coefficients and excess Gibbs free energies were calculated. - Abstract: Measurement of osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1,3-dimethylpyridinium methylsulfate were performed at T = 323.15 K using the vapor pressure osmometry technique, and from experimental data, vapor pressure, and activity coefficients were determined. The extended Pitzer model modified by Archer, and the NRTL model modified by Jaretun and Aly (MNRTL) were used to correlate the experimental osmotic coefficients, obtaining standard deviations lower than 0.017 and 0.054, respectively. From the parameters obtained with the extended Pitzer model modified by Archer, the mean molal activity coefficients and the excess Gibbs free energy for the studied binary mixtures were calculated. The effect of the cation is studied comparing the experimental results with those obtained for the ionic liquid 1,3-dimethylimidazolium methylsulfate.

Emulsion liquid membrane for selective extraction of bismuth from nitrate medium

International Nuclear Information System (INIS)

Mokhtari, Bahram; Pourabdollah, Kobra

2013-01-01

The novelty of this work is the selective extraction of bismuth ions from nitrate medium by emulsion liquid membrane. Di(2-ethylhexyl)phosphoric acid was used as extractant of bismuth ions from nitrate medium by emulsion liquid membrane, and Triton X-100 was used as the biodegradable surfactant in n-pentanol n-pentanol bulk membrane. The extraction of bismuth ions was evaluated by the yield of extraction. The experimental parameters were evaluated and were optimized. They included the ratio of di(2-ethylhexyl)phosphoric acid concentration to the concentration of /Triton X-100 concentration (1.0 : 0.5% w/w), nature of diluents (n-pentanol), nature and concentration of the stripping solution (sulfuric acid, 0.5M), stirring speed (1,800 rpm) and equilibrium time of extraction (20min), initial feed solution of bismuth (350 ppm) and the volume ratio of the internal stripping phase to the membrane phase (14 times). The experimental parameters of kinetic extraction revealed that the bismuth ions were extracted at 100% 97%

Emulsion liquid membrane for selective extraction of bismuth from nitrate medium

Energy Technology Data Exchange (ETDEWEB)

Mokhtari, Bahram; Pourabdollah, Kobra [Islamic Azad University, Shahreza (Iran, Islamic Republic of)

2013-07-15

The novelty of this work is the selective extraction of bismuth ions from nitrate medium by emulsion liquid membrane. Di(2-ethylhexyl)phosphoric acid was used as extractant of bismuth ions from nitrate medium by emulsion liquid membrane, and Triton X-100 was used as the biodegradable surfactant in n-pentanol n-pentanol bulk membrane. The extraction of bismuth ions was evaluated by the yield of extraction. The experimental parameters were evaluated and were optimized. They included the ratio of di(2-ethylhexyl)phosphoric acid concentration to the concentration of /Triton X-100 concentration (1.0 : 0.5% w/w), nature of diluents (n-pentanol), nature and concentration of the stripping solution (sulfuric acid, 0.5M), stirring speed (1,800 rpm) and equilibrium time of extraction (20min), initial feed solution of bismuth (350 ppm) and the volume ratio of the internal stripping phase to the membrane phase (14 times). The experimental parameters of kinetic extraction revealed that the bismuth ions were extracted at 100% 97%.

Solvation effect on decomposition rate of 10-methyl-10-phenylphenoxarsonium iodide in some alcohols and ketones

International Nuclear Information System (INIS)

Gavrilov, V.I.; Gumerov, N.S.; Rakhmatullin, R.R.

1989-01-01

By the method of conductometry decomposition kinetics of 10-methyl-10phenylphenoxarsonium iodide in methanol, ethanol, 2-propanol, 1-butanol, 1-pentanol and methyl ethyl ketone at initial concentration of the salt 0.00024-0.003 mol/l, is studied. It is shown that at the temperatures up to 80-95 deg C practically no decomposition of arsonium salt in methanol and ethanol is observed. With an increase in the length of alcohol alkyl radical the decomposition rate increases. The values of activation enrgy both for alcohols and ketone are approximately the same. At the same time, decomposition rate in alcohol proved much slower than in ketone, which is related to iodide-ion solvation in protic solvents

Solvation effect on decomposition rate of 10-methyl-10-phenylphenoxarsonium iodide in some alcohols and ketones

Energy Technology Data Exchange (ETDEWEB)

Gavrilov, V I; Gumerov, N S; Rakhmatullin, R R [Kazanskij Khimiko-Tekhnologicheskij Inst., Kazan (USSR)

1989-03-01

By the method of conductometry decomposition kinetics of 10-methyl-10phenylphenoxarsonium iodide in methanol, ethanol, 2-propanol, 1-butanol, 1-pentanol and methyl ethyl ketone at initial concentration of the salt 0.00024-0.003 mol/l, is studied. It is shown that at the temperatures up to 80-95 deg C practically no decomposition of arsonium salt in methanol and ethanol is observed. With an increase in the length of alcohol alkyl radical the decomposition rate increases. The values of activation enrgy both for alcohols and ketone are approximately the same. At the same time, decomposition rate in alcohol proved much slower than in ketone, which is related to iodide-ion solvation in protic solvents.

Liquid phase PVTx properties of (water + tert-butanol) binary mixtures at temperatures from 278.15 to 323.15 K and pressures from 0.1 to 100 MPa. II. Molar isothermal compressions, molar isobaric expansions, molar thermal pressure coefficients, and internal pressure

International Nuclear Information System (INIS)

Egorov, Gennadiy I.; Makarov, Dmitriy M.; Kolker, Arkadiy M.

2013-01-01

Highlights: ► Molar isothermal compressions and molar isobaric expansions were evaluated. ► Coefficients of thermal pressure and internal pressure were obtained. ► Concentration dependences of coefficients under study display extremes. ► Temperature and pressure dependences of internal pressure of the mixture were linear. -- Abstract: Molar isothermal compressions, molar isobaric expansions, molar coefficients of thermal pressure, and internal pressure were calculated over the whole concentration range of {water (1) + tert-butanol (2)} mixture at pressures from 0.1 to 100 MPa and temperatures from 278.15 to 323.15 K. It was revealed that the extremes, observed on concentration dependences of molar isothermal compression K T,m and molar isobaric expansion E P,m of the mixture, became more pronounced with pressure growth and temperature lowering. Values of molar thermal pressure coefficients of the mixture sharply rose at compositions with small TBA mole fraction and then decreased practically linearly with the alcohol content increasing. Temperature and pressure dependences of the mixture internal pressure were almost linear, and at low TBA concentrations changed significantly from the dependences of water, tert-butanol and their mixtures at large alcohol content

Dielectric studies on binary mixtures of Tri-n-butyl phosphate (TBP) and long-chain primary alcohols (modifiers)

International Nuclear Information System (INIS)

Dash, S.K.; Swain, B.B.

1993-01-01

Dielectric constant (ε) of Tri-n-butyl phosphate (TBP), in binary mixtures with five long-chain primary alcohols viz; 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol and 1-octanol has been measured at ν = 455 kHz and at temperature 302 K. The data is used to evaluate mutual correlation factor g ab , excess molar polarization ΔP and excess free energy of mixing ΔF ab by using Winkelmann-Quitzsch eqn. for binary mixtures to assess the suitability of the alcohols as modifiers. The trend of variation of these parameters exhibit marked dependence on chain-length of the alcohols indicating 1-heptanol to be an efficient modifier. (author)

Analysis of the VLE data in “Measurement and correlations of density, viscosity, and vapour-liquid equilibrium for fluoro alcohols”

International Nuclear Information System (INIS)

Wisniak, Jaime; Ortega, Juan; Fernández, Luis

2017-01-01

Highlights: • A critical analysis on the published data in JCT 102 (2016) 155–163, is carried out. • Different consistency tests are applied to the data used in this work for their thermodynamic evaluation. • It concludes by questioning the quality of the published data. - Abstract: The vapour-liquid equilibrium results reported by Zhang et al. [1] for the binary systems {methanol (1) + 2,2,3,3,4,4,5,5-octafluoro-1-pentanol (2)} and {2,2,3,3-tetrafluoro-1-propanol (1) + 2,2,3,3,4,4,5,5-octafluoro-1-pentanol (2)} have been analysed using the data evaluation methodology published recently [2] and found to be unreliable.

Compressed liquid densities of 1-butanol and 2-butanol at temperatures from 313 K to 363 K and pressures up to 25 MPa

Energy Technology Data Exchange (ETDEWEB)

Zuniga-Moreno, Abel [Laboratorio de Termodinamica, ESIQIE, Instituto Politecnico Nacional, Edif. Z, Secc. 6, 1ER Piso, UPALM, C.P. 07738, Mexico, D.F. (Mexico); Galicia-Luna, Luis A. [Laboratorio de Termodinamica, ESIQIE, Instituto Politecnico Nacional, Edif. Z, Secc. 6, 1ER Piso, UPALM, C.P. 07738, Mexico, D.F. (Mexico)]. E-mail: lgalicial@ipn.mx; Camacho-Camacho, Luis E. [Laboratorio de Termodinamica, ESIQIE, Instituto Politecnico Nacional, Edif. Z, Secc. 6, 1ER Piso, UPALM, C.P. 07738, Mexico, D.F. (Mexico)

2007-02-15

(p, {rho}, T) properties were determined in liquid phase for 1-butanol and 2-butanol at temperatures from 313 K to 363 K and pressures up to 25 MPa using a vibrating tube densimeter. The uncertainty is estimated to be lower than {+-}0.2 kg . m{sup -3} for the experimental densities. Nitrogen and water were used as reference fluids for the calibration of the vibrating tube densimeter. Experimental densities of 1-butanol and 2-butanol were correlated with a short empirical equation and the 11-parameter Benedict-Webb-Rubin-Starling equation of state (BWRS EoS) using a least square optimization. Statistical values to evaluate the different correlations were reported. Published densities of 1-butanol and 2-butanol are compared with values calculated with the BWRS EoS using the parameters obtained in this work. The experimental data determined here are also compared with available correlations for 1-butanol and 2-butanol.

Compressed liquid densities of 1-butanol and 2-butanol at temperatures from 313 K to 363 K and pressures up to 25 MPa

International Nuclear Information System (INIS)

Zuniga-Moreno, Abel; Galicia-Luna, Luis A.; Camacho-Camacho, Luis E.

2007-01-01

(p, ρ, T) properties were determined in liquid phase for 1-butanol and 2-butanol at temperatures from 313 K to 363 K and pressures up to 25 MPa using a vibrating tube densimeter. The uncertainty is estimated to be lower than ±0.2 kg . m -3 for the experimental densities. Nitrogen and water were used as reference fluids for the calibration of the vibrating tube densimeter. Experimental densities of 1-butanol and 2-butanol were correlated with a short empirical equation and the 11-parameter Benedict-Webb-Rubin-Starling equation of state (BWRS EoS) using a least square optimization. Statistical values to evaluate the different correlations were reported. Published densities of 1-butanol and 2-butanol are compared with values calculated with the BWRS EoS using the parameters obtained in this work. The experimental data determined here are also compared with available correlations for 1-butanol and 2-butanol

Quality improvement of biodiesel blends using different promising fuel additives to reduce fuel consumption and NO emission from CI engine

International Nuclear Information System (INIS)

Imdadul, H.K.; Rashed, M.M.; Shahin, M.M.; Masjuki, H.H.; Kalam, M.A.; Kamruzzaman, M.; Rashedul, H.K.

2017-01-01

Highlights: • Pentanol, EHN and DTBP are promising fuel additives for improving properties of biodiesel blends. • The utilization of additives improved the properties such as the cetane number, viscosity and oxidation stability. • BSFC, NO and smoke of the EHN and DTBP treated blends are improved by the addition of fuel additives. • Cylinder pressure and Heat Release Rate are enhanced with EHN and DTBP addition. - Abstract: Considering the low cetane number of biodiesel blends and alcohols, ignition promoter additives 2-ethylhexyl nitrate (EHN) and di-tertiary-butyl peroxide (DTBP) was used in this study at a proportion of 1000 and 2000 ppm to diesel-biodiesel-pentanol blends. Five carbon pentanol was used at a proportion of 10% with 20% jatropha biodiesel-70% diesel blends and engine testing was carried out in a single cylinder DI diesel engine. The fuel properties, engine performance, emission and combustion were studied and mainly the effects of two most widely used ignition promoter on the engine behaviour were compared and analyzed. Experimental results indicated that, the fuel properties like density (0.36–1.45%), viscosity (0.26–3.77%), oxidation stability (5.5–26.4%), cetane number (2–14.58%) are improved remarkably with a moderate change in calorific value for the pentanol and ignition promoter treated biodiesel blends depending on the proportion used and for different benchmark. The brake power (BP) is developed very slightly (0.66–1.52%), which is still below than that of diesel, however, the brake specific energy consumption (BSEC) decreased significantly (0.92–5.84%). Although mixing of pentanol increased the nitric oxide (NO) (2.15% than JB20) with reducing the hydrocarbon (HC), carbon monoxide (CO) and smoke, however, the addition of EHN and DTBP reduced the NO (2–4.62%) and smoke (3.45–15.5%) emissions showing higher CO (1.3–9.15%) and HC (5.1–17.87%) emission based on percentage of ignition promoter used. The NO emission

Preparação e caracterização de catalisadores baseados em pentóxido de nióbio e óxido de cobre(II) aplicados em reações de esterificação e transesterificação

OpenAIRE

Braga, Valdeilson Souza

2007-01-01

Os catalisadores contendo Nb O /SiO -Al O , CuO/Nb O /SiO -Al O , 2 5 2 2 3 2 5 2 2 3 Nb O /CCA (CCA=cinza de casca de arroz) cristalina ou amorfa e CuO/CCA 2 5 investigados neste estudo, foram preparados via diferentes rotas (impregnação em meio aquoso (incipiente ou evaporação) ou grafitização em meio orgânico, em variadas proporções (2, 5, 10, 15, 20 e 25 % em massa). Estes materiais foram aplicados em reações de esterificação de ácido acético com álcoois (etanol, n-butanol e iso-pentanol)...

Phase behaviour of an ionic microemulsion system as a function of the cosurfactant chain length

NARCIS (Netherlands)

Kegel, W.K.; Lekkerkerker, H.N.W.

1993-01-01

The phase behaviour of a microemulsion system consisting of equal volumes of brine and oil, sodium dodecyl sulphate (SDS) as surfactant and alcohols of different chain lengths (pentanol, hexanol and heptanol) as cosurfactant was studied. In the case of pentanol, at low surfactant concentrations and

Analysis of Illicit Liquor by Headspace Gas Chromatography-Mass Spectrometry (HS-GC-MS): A Preliminary Study.

Science.gov (United States)

Punia, Bhupinder Singh; Yadav, Praveen Kumar; Bumbrah, Gurvinder Singh; Sharma, Rakesh Mohan

2017-01-01

Illicit liquors are illegally manufactured to evade taxes and represent the majority of unrecorded liquors in developing countries. Because there are no standards, the composition of illicit liquors varies greatly from sample to sample. In the current study, we analyzed the volatile components of 27 different illicit liquors via samples collected from various locations in the northern region of India. Ethanol content varied drastically and methanol was not present in any of the samples. The components found can be categorized into different groups, namely alcohols, esters, acids, nitrogen-containing components, ketones, and aldehydes. Some components-such as 1-propanol; 1-pentanol; 1-butanol; d-limonene; phenylethyl alcohols; anethole; and decanoic, octanoic, and pentanoic acids-were frequently encountered.

Safety Evaluation of the Grape Marc Spirit by GC-FID Analysis

Directory of Open Access Journals (Sweden)

Teodora Coldea

2013-11-01

Full Text Available There were investigated grape marc spirits regarding their safety on consumers. Major volatile compounds which present risk to human health (such as methanol, furfural, and acetaldehyde and ethyl alcohol content were compared to European Union Regulation and other values found in previous studies.  The aim of our study was to evaluate the safety of grape marc spirits considering their content in major volatile compounds by comparison with the requirements of European Union Regulation. We investigated the ethyl alcohol content by electronic densimetry and 10 major volatile compounds (acetaldehyde, ethyl acetate, methanol, 1-propanol, 1-butanol, 2-butanol, isobutyl alcohol, isoamyl alcohol, amyl active alcohol and furfural by Gas Chromatography coupled with Flame Ionization Detector. We used reference chemicals to identify these compounds and 3-pentanol as internal standard to quantify the volatiles. Results were compared with the requirements of European Union Regulation. All major volatile compounds registered values in accordance to EU Regulation and the grape pomace spirits samples do not present any kind of risk for consumption.

studies dielectric behaviour of some long chain alcohols and their mixtures with a non-polar solvent at various concentration

International Nuclear Information System (INIS)

Yaqub, M.; Ahmed, S.S.; Hussain, A.

2006-01-01

Dielectric constant, refractive index and the Kirkwood linear correlation factor of 1-propanol, 1-butanol and 1-pentanol in mixtures with carbon tetrachloride at various concentration have been measured at fixed frequency (100 KHz) at 303.15 K. For the study of dielectric properties of polar molecules in a non-polar solvent at different concentrations, polarization per unit volume and excess free-energy of mixing were evaluated at this temperature. In order to study the association of polar molecules in such a non-polar solvent, the Kirkwood correlation factor (g) between molecular pairs, which exists due to the hydrogen bond association suggesting the presence of some dimension in the liquid phase with a number of dimmers, was determined. The refractive index and dielectric constant measurements are expected to shed some light on the configuration of molecules in various mixtures, and give some idea about the specific interactions between components, which decrese with the increase in the concentration of alcohol. All the three mixtures showed different behaviour for the value of correlation factor (g) as a function of concentration. The response of 1-pentanol was broadly identical to that of small chain alcohols. The different behaviour of the correlation factor (g) was interpreted in terms of the Kirkwood-Frohlich theory, as it takes into account, explicitly, such type of short and long range interactions of a mixture of polar molecules with non-polar solvents. (author)

Interaction between amylose and 1-butanol during 1-butanol-hydrochloric acid hydrolysis of normal rice starch.

Science.gov (United States)

Hu, Xiuting; Wei, Benxi; Zhang, Bao; Li, Hongyan; Xu, Xueming; Jin, Zhengyu; Tian, Yaoqi

2013-10-01

The aim of this study was to examine the interaction between amylose and 1-butanol during the 1-butanol-hydrochloric acid (1-butanol-HCl) hydrolysis of normal rice starch. The interaction model between amylose and 1-butanol was proposed using gas chromatography-mass spectrometry (GC-MS), (13)C cross polarization and magic angle spinning NMR analysis ((13)C CP/MAS NMR), differential scanning calorimetry (DSC), and thermalgravimetric analysis (TGA). GC-MS data showed that another form of 1-butanol existed in 1-butanol-HCl-hydrolyzed normal rice starch, except in the form of free molecules absorbed on the starch granules. The signal of 1-butanol-HCl-hydrolyzed starch at 100.1 ppm appeared in the (13)C CP/MAS NMR spectrum, indicating that the amylose-1-butanol complex was formed. DSC and TGA data also demonstrated the formation of the complex, which significantly affected the thermal properties of normal rice starch. These findings revealed that less dextrin with low molecular weight formed might be attributed to resistance of this complex to acid during 1-butanol-HCl hydrolysis. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Mixed butanols addition to gasoline surrogates: Shock tube ignition delay time measurements and chemical kinetic modeling

KAUST Repository

AlRamadan, Abdullah S.

2015-10-01

The demand for fuels with high anti-knock quality has historically been rising, and will continue to increase with the development of downsized and turbocharged spark-ignition engines. Butanol isomers, such as 2-butanol and tert-butanol, have high octane ratings (RON of 105 and 107, respectively), and thus mixed butanols (68.8% by volume of 2-butanol and 31.2% by volume of tert-butanol) can be added to the conventional petroleum-derived gasoline fuels to improve octane performance. In the present work, the effect of mixed butanols addition to gasoline surrogates has been investigated in a high-pressure shock tube facility. The ignition delay times of mixed butanols stoichiometric mixtures were measured at 20 and 40bar over a temperature range of 800-1200K. Next, 10vol% and 20vol% of mixed butanols (MB) were blended with two different toluene/n-heptane/iso-octane (TPRF) fuel blends having octane ratings of RON 90/MON 81.7 and RON 84.6/MON 79.3. These MB/TPRF mixtures were investigated in the shock tube conditions similar to those mentioned above. A chemical kinetic model was developed to simulate the low- and high-temperature oxidation of mixed butanols and MB/TPRF blends. The proposed model is in good agreement with the experimental data with some deviations at low temperatures. The effect of mixed butanols addition to TPRFs is marginal when examining the ignition delay times at high temperatures. However, when extended to lower temperatures (T < 850K), the model shows that the mixed butanols addition to TPRFs causes the ignition delay times to increase and hence behaves like an octane booster at engine-like conditions. © 2015 The Combustion Institute.

(R-N-{2-tert-Butyl-2-[(R-tert-butylsulfonamido]ethylidene}-tert-butanesulfonamide

Directory of Open Access Journals (Sweden)

Cong-Bin Fan

2008-10-01

Full Text Available The title compound, C14H30N2O2S2, is the product of the monoaddition reaction of tert-butyl magnesium chloride with bis-[(R-N-tert-butanesulfinyl]ethanediimine. There are two almost identical molecules in the asymmetric unit, the molecular conformation of which is stabilized by an intramolecular N—H...N hydrogen bond.

Molecular Interactions in Binary Mixtures of Benzene with 1-Alkanols(C5,C7,C8) at 35℃:An Ultrasonic Study

Institute of Scientific and Technical Information of China (English)

ALI，A.; IBRAHIM.M; 等

2003-01-01

Densities and ultrasonic speeds have been measured in binary mixtures of benzene with 1-pentanol,1-heptanol and 1-octanol,and in the pure components,as a function of compostion at 35℃.The isentropic compressibility,intermolecular free length,relative association,acoustic impedance,isothermal compressibility,thermal expansion coefficient,deviations in isentropic compressibility,excess freee length,excess volume,deviations in ultrasonic speed,excess acoustic impedance,apparent molar compressibility,apparent molar volume,partial molar volume of 1-alkanol in benzene have been calculated from the experimental data of densities and ultrasonic speeds.The variation of these parameters with composition indicates weak interaction between the component molecules and this interaction decreases in the order:1-pentanol>1-heptanol>1-octanol.Further,theoretical values of ultrasonic speeds were evaluated using free length theory,collision factor theory,Nomoto's relation and Van Dael-Vangeel ideal mixing relation.The relative merits of these theories and relations were discussed for these systems.

6,6'-(1E,1'E-((1R,2R-1,2-Diphenylethane-1,2-diylbis(azan-1-yl-1-ylidenebis(methan-1-yl-1-ylidenebis(2-tert-butyl-4-((trimethylsilylethynylphenol

Directory of Open Access Journals (Sweden)

David Díaz Díaz

2013-03-01

Full Text Available Functionalizable salen derivative, 6,6'-(1E,1'E-((1R,2R-1,2-diphenylethane-1,2-diylbis(azan-1-yl-1-ylidenebis(methan-1-yl-1-ylidenebis(2-tert-butyl-4-((trimethylsilyl ethyn-ylphenol (3, was synthesized by condensation between (1R,2R-1,2-diphenylethane-1,2-diamine (2 and 3-tert-butyl-2-hydroxy-5-((trimethylsilylethynyl benzaldehyde (1 under refluxing conditions. The title compound was characterized by 1H-NMR, 13C-NMR, FT-IR, high-resolution mass spectrometry, optical rotation and melting point determination.

Vapour pressures and osmotic coefficients of binary mixtures containing alcohol and pyrrolidinium-based ionic liquids

International Nuclear Information System (INIS)

Calvar, N.; Domínguez, Á.; Macedo, E.A.

2013-01-01

Highlights: • Osmotic coefficients of alcohols with pyrrolidinium ILs are determined. • Experimental data were correlated with extended Pitzer model of Archer and MNRTL. • Mean molal activity coefficients and excess Gibbs free energies were calculated. • The results have been interpreted in terms of interactions. -- Abstract: The osmotic and activity coefficients and vapour pressures of mixtures containing primary (1-propanol, 1-butanol and 1-pentanol) and secondary (2-propanol and 2-butanol) alcohols with pyrrolidinium-based ionic liquids (1-butyl-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide, C 4 MpyrNTf 2 , and 1-butyl-1-methyl pyrrolidinium trifluoromethanesulfonate, C 4 MpyrTFO) have been experimentally determined at T = 323.15 K. For the experimental measurements, the vapour pressure osmometry technique has been used. The results on the influence of the structure of the alcohol and of the anion of the ionic liquid on the determined properties have been discussed and compared with literature data. For the correlation of the osmotic coefficients obtained, the Extended Pitzer model of Archer and the Modified Non-Random Two Liquids model were applied. The mean molal activity coefficients and the excess Gibbs energy for the studied mixtures were calculated from the parameters obtained in the correlation

Solvent effects on stress corrosion cracking of zirconium and Zircaloy-4 in iodine

International Nuclear Information System (INIS)

Farina, Silvia B.; Duffo, Gustavo S.; Galvele, Jose R.

2000-01-01

Localized corrosion (pitting, intergranular attack and stress corrosion cracking) of Zircaloy-4 and its principal component, zirconium, was investigated in solutions of iodine in different alcohols (methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-octanol). Intergranular attack was found in all of the solutions tested, and the attack velocity increases when the size of the alcohol molecule decreases. In some cases it was found that intergranular attack is accompanied by pitting. Slow strain-rate experiments showed that the propagation rate of stress corrosion cracks also depends on the size of the solvent molecule. From these results it may be inferred that the cause of the variation in the velocity is the steric hindrance of the alcohol molecules. The surface mobility SCC mechanism may account for these results. (author)

Effect of water content on the stress corrosion cracking susceptibility of Zircaloy-4 in iodine-alcoholic solutions

International Nuclear Information System (INIS)

Gomez Sanchez, Andrea; Farina, Silvia B.; Duffo, Gustavo S.

2005-01-01

The stress corrosion cracking (SCC) susceptibility of Zircaloy-4 (UNS R60804) was studied in 10 g/L iodine dissolved in various alcohols: methanol, ethanol, 1 propanol, 1-butanol, 1-pentanol and 1-octanol. SCC was observed in all the systems studied and it was found that the higher the size of alcohol molecule, the lower the SCC susceptibility. The existence of intergranular attack -controlled by the diffusion of the active species- is a condition for the SCC process to occur. In the present work the inhibiting effect of water on the SCC susceptibility of Zircaloy-4 in iodine-alcoholic solutions was also investigated and the results showed that the minimum water content to inhibit the SCC process depends on the type of alcohol used as a solvent. (author) [es

Deuterium isotopic effects connected with unimolecular and concerted mechanisms. The case of 1-deutero-2-chloro alcohols

International Nuclear Information System (INIS)

Jambon, C.

1962-01-01

After a bibliographic analysis of the probable causes of isotopic effects and their comparison, with the simplifications provided by the athermal model, a discussion of the isotopic effect of deuterium in organic molecules in terms of structural influences is presented, showing the important role of the C-D bond length which is shorter than the C-H bond length, and of the D atom's Van der Waals radius, shorter than that of the H atom. Kinetic measurements were carried out on some reactions involving the mechanisms proposed: unimolecular ionizations and halogen concentrates. The structural models chosen are: 2-chloro-cyclo-hexanols cis and trans 1-H and 2-D; 2-chloro-cyclo-pentanols cis trans 1-H and 1-D; 1-phenyl-l-chloro-2-propanol threo 2-H and 2-D. (author) [fr

Isobaric thermal expansivity behaviour against temperature and pressure of associating fluids

Energy Technology Data Exchange (ETDEWEB)

Navia, Paloma; Troncoso, Jacobo [Departamento de Fisica Aplicada, Facultad de Ciencias de Ourense, Campus As Lagoas, 32004 Ourense (Spain); Romani, Luis, E-mail: romani@uvigo.e [Departamento de Fisica Aplicada, Facultad de Ciencias de Ourense, Campus As Lagoas, 32004 Ourense (Spain)

2010-01-15

In order to study the influence of association on the isobaric thermal expansivity, this magnitude has been experimentally determined for a set of associating fluids within the temperature and pressure intervals (278.15 to 348.15) K and (5 to 55) MPa by means of calorimetric measurements. The 1-alcohol series, from methanol to 1-decanol, 2-pentanol, 3-pentanol, and 1-pentylamine were selected. With a view on checking the quality of the experimental data, they are compared with available literature values; good coherence was obtained for most of the studied liquids. The analysis of the experimental results reveals that the association capability presents a strong influence not only on the value of the isobaric thermal expansivity itself, but also on its behaviour against temperature and pressure.

Isobaric thermal expansivity behaviour against temperature and pressure of associating fluids

International Nuclear Information System (INIS)

Navia, Paloma; Troncoso, Jacobo; Romani, Luis

2010-01-01

In order to study the influence of association on the isobaric thermal expansivity, this magnitude has been experimentally determined for a set of associating fluids within the temperature and pressure intervals (278.15 to 348.15) K and (5 to 55) MPa by means of calorimetric measurements. The 1-alcohol series, from methanol to 1-decanol, 2-pentanol, 3-pentanol, and 1-pentylamine were selected. With a view on checking the quality of the experimental data, they are compared with available literature values; good coherence was obtained for most of the studied liquids. The analysis of the experimental results reveals that the association capability presents a strong influence not only on the value of the isobaric thermal expansivity itself, but also on its behaviour against temperature and pressure.

Isothermal Vapour-Liquid Equilibrium in the Binary tert-Butanol or 2,2,4-Trimethylpentane + 1-tert-Butoxy-2-Propanol, and in the Ternary tert-Butanol + 2,2,4-Trimethylpentane + 1-tert-Butoxy-2-Propanol Systems

Czech Academy of Sciences Publication Activity Database

Bernatová, Svatoslava; Wichterle, Ivan

2001-01-01

Roč. 189, 1-2 (2001), s. 111-118 ISSN 0378-3812 R&D Projects: GA ČR GA104/99/0136 Institutional research plan: CEZ:AV0Z4072921 Keywords : vapour-liquid equilibrium * experimental data * molar excess volume Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.217, year: 2001

ANTHRAQUINONE FROM THALLUS OF LICHEN Ramalina javanica Nyl

Directory of Open Access Journals (Sweden)

Suyanto Suyanto

2010-06-01

Full Text Available The isolation of 1,3,8- trihydroxy-2(1'-pentanol-6-methoxy anthraquinone from acetone extract of lichen thallus of Ramalina javanica Nyl. was carried out. Its structure was determined based on spectroscopic evidences.   Keywords: Ramalina javanica Nyl., anthraquinone

Phenotypic characterisation of Saccharomyces spp. for tolerance to 1-butanol.

Science.gov (United States)

Zaki, A M; Wimalasena, T T; Greetham, D

2014-11-01

Biofuels are expected to play a role in replacing crude oil as a liquid transportation fuel, and research into butanol has highlighted the importance of this alcohol as a fuel. Butanol has a higher energy density than ethanol, butanol-gasoline blends do not separate in the presence of water, and butanol is miscible with gasoline (Szulczyk, Int J Energy Environ 1(1):2876-2895, 40). Saccharomyces cerevisiae has been used as a fermentative organism in the biofuel industry producing ethanol from glucose derived from starchy plant material; however, it typically cannot tolerate butanol concentrations greater than 2 % (Luong, Biotechnol Bioeng 29 (2):242-248, 27). 90 Saccharomyces spp. strains were screened for tolerance to 1-butanol via a phenotypic microarray assay and we observed significant variation in response with the most tolerant strains (S. cerevisiae DBVPG1788, S. cerevisiae DBVPG6044 and S. cerevisiae YPS128) exhibiting tolerance to 4 % 1-butanol compared with S. uvarum and S. castelli strains, which were sensitive to 3 % 1-butanol. Response to butanol was confirmed using traditional yeast methodologies such as growth; it was observed that fermentations in the presence of butanol, when using strains with a tolerant background, were significantly faster. Assessing for genetic rationale for tolerance, it was observed that 1-butanol-tolerant strains, when compared with 1-butanol-sensitive strains, had an up-regulation of RPN4, a transcription factor which regulates proteasome genes. Analysing for the importance of RPN4, we observed that a Δrpn4 strain displayed a reduced rate of fermentation in the presence of 1-butanol when compared with the BY4741 background strain. This data will aid the development of breeding programmes to produce better strains for future bio-butanol production.

Low and High Temperature Combustion Chemistry of Butanol Isomers in Premixed Flames and Autoignition Systems

Energy Technology Data Exchange (ETDEWEB)

Sarathy, S M; Pitz, W J; Westbrook, C K; Mehl, M; Yasunaga, K; Curran, H J; Tsujimura, T; Osswald, P; Kohse-Hoinghaus, K

2010-12-12

Butanol is a fuel that has been proposed as a bio-derived alternative to conventional petroleum derived fuels. The structural isomer in traditional 'bio-butanol' fuel is n-butanol, but newer conversion technologies produce iso-butanol as a fuel. In order to better understand the combustion chemistry of bio-butanol, this study presents a comprehensive chemical kinetic model for all the four isomers of butanol (e.g., 1-, 2-, iso- and tert-butanol). The proposed model includes detailed high temperature and low temperature reaction pathways. In this study, the primary experimental validation target for the model is premixed flat low-pressure flame species profiles obtained using molecular beam mass spectrometry (MBMS). The model is also validated against previously published data for premixed flame velocity and n-butanol rapid compression machine and shock tube ignition delay. The agreement with these data sets is reasonably good. The dominant reaction pathways at the various pressures and temperatures studied are elucidated. At low temperature conditions, we found that the reaction of alphahydroxybutyl with O{sub 2} was important in controlling the reactivity of the system, and for correctly predicting C{sub 4} aldehyde profiles in low pressure premixed flames. Enol-keto isomerization reactions assisted by HO{sub 2} were also found to be important in converting enols to aldehydes and ketones in the low pressure premixed flames. In the paper, we describe how the structural features of the four different butanol isomers lead to differences in the combustion properties of each isomer.

Soft-template synthesis and optical Properties of Sb2S3 semiconductor quasi-nanospheres

International Nuclear Information System (INIS)

Wu Qingsheng; Zhang Guoxin; Ding Yaping

2006-01-01

The reverse micelle system composed of four phases of Hexamethylene/Triton-100/n-pentanol/water (containing 1 ml 0.1 M Sb 3+ or 1 ml 0.1 M S 2- ), which ratio is 28:3:1:1, is prepared. Sb 2 S 3 quasi-nanospheres with diameters between 160 and 240 nm are synthesized by above reverse micelle soft-template system. The result shows that the fluorescence peaks have a blue shift about 19 nm when it is excited at 219 nm, and the UV-Vis absorption peaks shift about 453 nm (2.74 eV)

Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

KAUST Repository

Lucassen, Arnas; Park, Sungwoo; Hansen, Nils; Sarathy, Mani

2014-01-01

This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model's capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.

Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

KAUST Repository

Lucassen, Arnas

2014-06-14

This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model\\'s capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.

Atmospheric oxidation of selected alcohols and esters

Energy Technology Data Exchange (ETDEWEB)

Becker, K H; Cavalli, F

2001-03-01

The decision whether it is appropriate and beneficial for the environment to deploy specific oxygenated organic compounds as replacements for traditional solvent types requires a quantitative assessment of their potential atmospheric impacts including tropospheric ozone and other photooxidant formation. This involves developing chemical mechanisms for the gasphase atmospheric oxidation of the compounds which can be reliably used in models to predict their atmospheric reactivity under a variety of environmental conditions. Until this study, there was very little information available concerning the atmospheric fate of alcohols and esters. The objectives of this study were to measure the atmospheric reaction rates and to define atmospheric reaction mechanisms for the following selected oxygenated volatile organic compounds: the alcohols, 1-butanol and 1-pentanol, and the esters, methyl propionate and dimethyl succinate. The study has successfully addressed these objectives. (orig.)

Difunctionalization of alkenes with iodine and tert-butyl hydroperoxide (TBHP) at room temperature for the synthesis of 1-(tert-butylperoxy)-2-iodoethanes.

Science.gov (United States)

Wang, Hao; Chen, Cui; Liu, Weibing; Zhu, Zhibo

2017-01-01

We developed a direct vicinal difunctionalization of alkenes with iodine and TBHP at room temperature. This iodination and peroxidation in a one-pot synthesis produces 1-( tert -butylperoxy)-2-iodoethanes, which are inaccessible through conventional synthetic methods. This method generates multiple radical intermediates in situ and has excellent regioselectivity, a broad substrate scope and mild conditions. The iodine and peroxide groups of 1-( tert -butylperoxy)-2-iodoethanes have several potential applications and allow further chemical modifications, enabling the preparation of synthetically valuable molecules.

Osmotic coefficients of alcoholic mixtures containing BMpyrDCA: Experimental determination and correlation

International Nuclear Information System (INIS)

Calvar, N.; Domínguez, Á.; Macedo, E.A.

2014-01-01

Graphical abstract: - Highlights: • Osmotic coefficients of alcohols with BMpyrDCA ionic liquid are determined. • Experimental data were correlated with Extended Pitzer model of Archer and MNRTL. • Mean molal activity coefficients and excess Gibbs free energies were calculated. • The results have been interpreted in terms of interactions. - Abstract: The vapour pressure osmometry technique (VPO) has been used to obtain the osmotic coefficients of the binary mixtures of the primary and secondary alcohols 1-propanol, 2-propanol, 1-butanol, 2-butanol and 1-pentanol with the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide, BMpyrDCA. From these coefficients, the corresponding activity coefficients and vapour pressures of the mixtures have been also determined. The results have been discussed in terms of solute–solvent and ion–ion interactions and have been compared with those taken from literature in order to analyse the influence of the anion or cation constituting the ionic liquid. For the treatment of the experimental data, the Extended Pitzer model of Archer and the MNRTL model have been applied, obtaining standard deviations from the experimental osmotic coefficients lower than 0.015 and 0.065, respectively. From the parameters obtained with the Extended Pitzer model or Archer, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures have been calculated

Development and application of a rat PBPK model to elucidate kidney and liver effects induced by ETBE and tert-butanol

International Nuclear Information System (INIS)

Salazar, Keith D.; Brinkerhoff, Christopher J.; Lee, Janice S.; Chiu, Weihsueh A.

2015-01-01

Subchronic and chronic studies in rats of the gasoline oxygenates ethyl tert-butyl ether (ETBE) and tert-butanol (TBA) report similar noncancer kidney and liver effects but differing results with respect to kidney and liver tumors. Because TBA is a major metabolite of ETBE, it is possible that TBA is the active toxic moiety in all these studies, with reported differences due simply to differences in the internal dose. To test this hypothesis, a physiologically-based pharmacokinetic (PBPK) model was developed for ETBE and TBA to calculate internal dosimetrics of TBA following either TBA or ETBE exposure. This model, based on earlier PBPK models of methyl tert-butyl ether (MTBE), was used to evaluate whether kidney and liver effects are consistent across routes of exposure, as well as between ETBE and TBA studies, on the basis of estimated internal dose. The results demonstrate that noncancer kidney effects, including kidney weight changes, urothelial hyperplasia, and chronic progressive nephropathy (CPN), yielded consistent dose–response relationships across routes of exposure and across ETBE and TBA studies using TBA blood concentration as the dose metric. Relative liver weights were also consistent across studies on the basis of TBA metabolism, which is proportional to TBA liver concentrations. However, kidney and liver tumors were not consistent using any dose metric. These results support the hypothesis that TBA mediates the noncancer kidney and liver effects following ETBE administration; however, additional factors besides internal dose are necessary to explain the induction of liver and kidney tumors. - Highlights: • We model two metabolically-related fuel oxygenates to address toxicity data gaps. • Kidney and liver effects are compared on an internal dose basis. • Noncancer kidney effects are consistent using TBA blood concentration. • Liver weight changes are consistent using TBA metabolic rate. • Kidney and liver tumors are not consistent using

Development and application of a rat PBPK model to elucidate kidney and liver effects induced by ETBE and tert-butanol

Energy Technology Data Exchange (ETDEWEB)

Salazar, Keith D., E-mail: Salazar.keith@epa.gov [Toxicity Pathways Branch, IRIS Division, NCEA, ORD, US EPA, Washington, DC 20460 (United States); Brinkerhoff, Christopher J., E-mail: Brinkerhoff.Chris@epa.gov [Risk Assessment Division, OPPT, OCSPP, US EPA, Washington, DC 20460 (United States); Lee, Janice S., E-mail: Lee.JaniceS@epa.gov [Toxicity Pathways Branch, IRIS Division, NCEA, ORD, US EPA, Washington, DC 20460 (United States); Chiu, Weihsueh A., E-mail: wchiu@cvm.tamu.edu [Department of Veterinary Integrative Biosciences, College of Veterinary Medicine and Biomedical Sciences, Texas A& M University, College Station, TX 77843 (United States)

2015-11-01

Subchronic and chronic studies in rats of the gasoline oxygenates ethyl tert-butyl ether (ETBE) and tert-butanol (TBA) report similar noncancer kidney and liver effects but differing results with respect to kidney and liver tumors. Because TBA is a major metabolite of ETBE, it is possible that TBA is the active toxic moiety in all these studies, with reported differences due simply to differences in the internal dose. To test this hypothesis, a physiologically-based pharmacokinetic (PBPK) model was developed for ETBE and TBA to calculate internal dosimetrics of TBA following either TBA or ETBE exposure. This model, based on earlier PBPK models of methyl tert-butyl ether (MTBE), was used to evaluate whether kidney and liver effects are consistent across routes of exposure, as well as between ETBE and TBA studies, on the basis of estimated internal dose. The results demonstrate that noncancer kidney effects, including kidney weight changes, urothelial hyperplasia, and chronic progressive nephropathy (CPN), yielded consistent dose–response relationships across routes of exposure and across ETBE and TBA studies using TBA blood concentration as the dose metric. Relative liver weights were also consistent across studies on the basis of TBA metabolism, which is proportional to TBA liver concentrations. However, kidney and liver tumors were not consistent using any dose metric. These results support the hypothesis that TBA mediates the noncancer kidney and liver effects following ETBE administration; however, additional factors besides internal dose are necessary to explain the induction of liver and kidney tumors. - Highlights: • We model two metabolically-related fuel oxygenates to address toxicity data gaps. • Kidney and liver effects are compared on an internal dose basis. • Noncancer kidney effects are consistent using TBA blood concentration. • Liver weight changes are consistent using TBA metabolic rate. • Kidney and liver tumors are not consistent using

Structure of methylene chloride addition product to zirconium tetrachloride complex with 1-tert.-butyl-2,4,4-trimethyl-2-thio-trimethylsilyl-1,3,2,4-diazaphosphasilatedine

International Nuclear Information System (INIS)

Brusilovets, A.I.; Rusanov, Eh.B.; Chernega, A.N.

1995-01-01

Complex of zirconium tetrachloride with 1-tert.-butyl-2,4,4-trimethyl--2-thio-3-trimethyl-silyl-1,3,2,4-diazaphosphasilatedine interacts with methylene chloride with formation of bis[3-tert.-butyl-2,4,4-trimethyl-1--trimethylsilyl-2-chloremethylthio-1,3,2,4-diazaphosphasilatedinium] decachlorodizirconate. Specific features of crystal and molecular structure of the compound prepared have been studied by X-ray diffraction method. 21 refs.; 2 figs.; 2 tabs

Effect of Si/Al2 Ratio on 2-butanol Dehydration over HY Zeolite Catalysts

International Nuclear Information System (INIS)

Jung, Euna; Choi, Hyeonhee; Jeon, Jong-Ki

2015-01-01

Synthesis of butenes through dehydration of 2-butanol was investigated over HY zeolite catalysts. 2-Butanol dehydration reaction was carried out in a fixed bed catalytic reactor. 2-Butanol conversion was increased with increase of Si/Al 2 ratio of HY zeolite catalysts, which can be ascribed to increase of acid strength with increase of Si/Al 2 ratio. Selectivities to 1-butene, trans-2-butene, and cis-2-butene were not greatly influenced by the change of the Si/Al 2 ratio of HY zeolite. As a result, it was advantageous to use a HY zeolite catalyst with 60 Si/Al 2 ratio for maximizing the yield of 1-butene in the dehydration of 2-butanol. The optimal reaction temperature for maximizing the yield of 1-butene was 250 .deg. C over HY (60) catalyst

Biofuels combustion.

Science.gov (United States)

Westbrook, Charles K

2013-01-01

This review describes major features of current research in renewable fuels derived from plants and from fatty acids. Recent and ongoing fundamental studies of biofuel molecular structure, oxidation reactions, and biofuel chemical properties are reviewed, in addition to combustion applications of biofuels in the major types of engines in which biofuels are used. Biofuels and their combustion are compared with combustion features of conventional petroleum-based fuels. Two main classes of biofuels are described, those consisting of small, primarily alcohol, fuels (particularly ethanol, n-butanol, and iso-pentanol) that are used primarily to replace or supplement gasoline and those derived from fatty acids and used primarily to replace or supplement conventional diesel fuels. Research efforts on so-called second- and third-generation biofuels are discussed briefly.

Molar volume and adsorption isotherm dependence of capillary forces in nanoasperity contacts.

Science.gov (United States)

Asay, David B; Kim, Seong H

2007-11-20

The magnitude of the capillary force at any given temperature and adsorbate partial pressure depends primarily on four factors: the surface tension of the adsorbate, its liquid molar volume, its isothermal behavior, and the contact geometry. At large contacting radii, the adsorbate surface tension and the contact geometry are dominating. This is the case of surface force apparatus measurements and atomic force microscopy (AFM) experiments with micrometer-size spheres. However, as the size of contacting asperities decreases to the nanoscale as in AFM experiments with sharp tips, the molar volume and isotherm of the adsorbate become very important to capillary formation as well as capillary adhesion. This effect is experimentally and theoretically explored with simple alcohol molecules (ethanol, 1-butanol, and 1-pentanol) which have comparable surface tensions but differing liquid molar volumes. Adsorption isotherms for these alcohols on silicon oxide are also reported.

Studies of Hydrogen Bonding Between N, N-Dimethylacetamide and Primary Alcohols

Directory of Open Access Journals (Sweden)

M. S. Manjunath

2009-01-01

Full Text Available Hydrogen bonding between N, N-dimethylacetamide (DMA and alcohols has been studied in carbon tetrachloride solution by an X-band Microwave bench at 936GHz. The dielectric relaxation time (τ of the binary system are obtained by both Higasi's method and Gopalakrishna method. The most likely association complex between alcohol and DMA is 1:1 stoichiometric complex through the hydroxyl group of the alcohol and the carbonyl group of amide. The results show that the interaction between alcohols and amides is 1:1 complex through the free hydroxyl group of the alcohol and the carbonyl group of amide and the alkyl chain-length of both the alcohols and amide plays an important role in the determination of the strength of hydrogen bond (O-H: C=O formed and suggests that the proton donating ability of alcohols is in the order: 1-propanol < 1-butanol < 1-pentanol and the accepting ability of DMA.

Comparison of simulation and experimental results for a model aqueous tert-butanol solution

Science.gov (United States)

Overduin, S. D.; Patey, G. N.

2017-07-01

Molecular dynamics simulations are used to investigate the behavior of aqueous tert-butanol (TBA) solutions for a range of temperatures, using the CHARMM generalized force field (CGenFF) to model TBA and the TIP4P/2005 or TIP4P-Ew water model. Simulation results for the density, isothermal compressibility, constant pressure heat capacity, and self-diffusion coefficients are in good accord with experimental measurements. Agreement with the experiment is particularly good at low TBA concentration, where experiments have revealed anomalies in a number of thermodynamic properties. Importantly, the CGenFF model does not exhibit liquid-liquid demixing at temperatures between 290 and 320 K (for systems of 32 000 molecules), in contrast with the situation for several other common TBA models [R. Gupta and G. N. Patey, J. Chem. Phys. 137, 034509 (2012)]. However, whereas real water and TBA are miscible at all temperatures where the liquid is stable, we observe some evidence of demixing at 340 K and above. To evaluate the structural properties at low concentrations, we compare with both neutron scattering and recent spectroscopic measurements. This reveals that while the CGenFF model is a definite improvement over other models that have been considered, the TBA molecules still exhibit a tendency to associate at low concentrations that is somewhat stronger than that indicated by experiments. Finally, we discuss the range and decay times of the long-range correlations, providing an indication of the system size and simulation times that are necessary in order to obtain reliable results for certain properties.

Densities, Ultrasonic Speeds, and Excess Properties of Binary Mixtures of Diethylene Glycol with 1-Butanol, 2-Butanol, and 1,4-Butanediol at Different Temperatures

Science.gov (United States)

Ali, Anwar; Ansari, Sana; Uzair, Sahar; Tasneem, Shadma; Nabi, Firdosa

2015-11-01

Densities ρ and ultrasonic speeds u for pure diethylene glycol, 1-butanol, 2-butanol, and 1,4-butanediol and for their binary mixtures over the entire composition range were measured at 298.15 K, 303.15 K, 308.15 K, and 313.15 K. Using these data, the excess molar volumes, VE_m, deviations in isentropic compressibilities, {\\varDelta }ks, apparent molar volumes, V_{φi} , partial molar volumes, overline{V}_{m,i} , and excess partial molar volumes, overline{V}_{m,i}^E , have been calculated over the entire composition range, and also the excess partial molar volumes of the components at infinite dilution, overline{V}_{m,i}^{E,infty } have been calculated. The excess functions have been correlated using the Redlich-Kister equation at different temperatures. The variations of these derived parameters with composition and temperature are presented graphically.

(R-3-(tert-Butoxycarbonyl-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide

Directory of Open Access Journals (Sweden)

Gerhard Laus

2017-06-01

Full Text Available The chiral title compound, C8H15NO5S, was obtained by cyclization of (R-1-(tert-butoxycarbonylamino-2-propanol with thionyl chloride and subsequent oxidation with sodium metaperiodate/ruthenium(IV oxide. It crystallizes with two independent molecules in the asymmetric unit. In the crystal, C—H...O interactions link the molecules into a three-dimensional network.

Effect of Si/Al{sub 2} Ratio on 2-butanol Dehydration over HY Zeolite Catalysts

Energy Technology Data Exchange (ETDEWEB)

Jung, Euna; Choi, Hyeonhee; Jeon, Jong-Ki [Kongju National University, Cheonan (Korea, Republic of)

2015-02-15

Synthesis of butenes through dehydration of 2-butanol was investigated over HY zeolite catalysts. 2-Butanol dehydration reaction was carried out in a fixed bed catalytic reactor. 2-Butanol conversion was increased with increase of Si/Al{sub 2} ratio of HY zeolite catalysts, which can be ascribed to increase of acid strength with increase of Si/Al{sub 2} ratio. Selectivities to 1-butene, trans-2-butene, and cis-2-butene were not greatly influenced by the change of the Si/Al{sub 2} ratio of HY zeolite. As a result, it was advantageous to use a HY zeolite catalyst with 60 Si/Al{sub 2} ratio for maximizing the yield of 1-butene in the dehydration of 2-butanol. The optimal reaction temperature for maximizing the yield of 1-butene was 250 .deg. C over HY (60) catalyst.

Experimental determination of the high-temperature rate constant for the reaction of OH with sec-butanol.

Science.gov (United States)

Pang, Genny A; Hanson, Ronald K; Golden, David M; Bowman, Craig T

2012-10-04

The overall rate constant for the reaction of OH with sec-butanol [CH(3)CH(OH)CH(2)CH(3)] was determined from measurements of the near-first-order OH decay in shock-heated mixtures of tert-butylhydroperoxide (as a fast source of OH) with sec-butanol in excess. Three kinetic mechanisms from the literature describing sec-butanol combustion were used to examine the sensitivity of the rate constant determination to secondary kinetics. The overall rate constant determined can be described by the Arrhenius expression 6.97 × 10(-11) exp(-1550/T[K]) cm(3) molecule(-1) s(-1), valid over the temperature range of 888-1178 K. Uncertainty bounds of ±30% were found to adequately account for the uncertainty in secondary kinetics. To our knowledge, the current data represent the first efforts toward an experimentally determined rate constant for the overall reaction of OH with sec-butanol at combustion-relevant temperatures. A rate constant predicted using a structure-activity relationship from the literature was compared to the current data and previous rate constant measurements for the title reaction at atmospheric-relevant temperatures. The structure-activity relationship was found to be unable to correctly predict the measured rate constant at all temperatures where experimental data exist. We found that the three-parameter fit of 4.95 × 10(-20)T(2.66) exp(+1123/T[K]) cm(3) molecule(-1) s(-1) better describes the overall rate constant for the reaction of OH with sec-butanol from 263 to 1178 K.

Thermodynamic properties of tert-butylbenzene and 1,4-di-tert-butylbenzene

International Nuclear Information System (INIS)

Chirico, Robert D.; Steele, William V.

2009-01-01

Heat capacities, enthalpies of phase transitions, and derived thermodynamic properties over the temperature range 5 < (T/K) < 442 were determined with adiabatic calorimetry for tert-butylbenzene (TBB) {Chemical Abstracts Service registry number (CASRN) [98-06-6]} and 1,4-di-tert-butylbenzene (DTBB) {CASRN [1012-72-2]}. A crystal to plastic crystal transition very near the triple-point temperature of DTBB was observed. New vapor pressures near the triple-point temperature are also reported for DTBB for the liquid and crystal states. These new measurements, when combined with published results, allow calculation of the thermodynamic properties for the ideal gas state for both compounds. The contribution of the tert-butyl group to the entropy of the ideal gas is determined quantitatively here for the first time based on the calorimetric results over the temperature range 298.15 < (T/K) < 600. Comparisons with literature values are shown for all measured and derived properties, including entropies for the ideal gas derived from quantum chemical calculations

40 CFR 704.33 - P-tert-butylbenzoic acid (P-TBBA), p-tert-butyltoluene (P-TBT) and p-tert-butylbenzaldehyde (P-TBB).

Science.gov (United States)

2010-07-01

...-tert-butyltoluene (P-TBT) and p-tert-butylbenzaldehyde (P-TBB). 704.33 Section 704.33 Protection of... (P-TBBA), p-tert-butyltoluene (P-TBT) and p-tert-butylbenzaldehyde (P-TBB). (a) Definitions. (1) P..., CAS No. 98-73-7. (2) P-TBT means the substance p-tert-butyltoluene, also identified as 1-(1,1...

Deposition of hybrid organic-inorganic composite coatings using an atmospheric plasma jet system.

Science.gov (United States)

Dembele, Amidou; Rahman, Mahfujur; Reid, Ian; Twomey, Barry; MacElroy, J M Don; Dowling, Denis P

2011-10-01

The objective of this study is to investigate the influence of alcohol addition on the incorporation of metal oxide nanoparticles into nm thick siloxane coatings. Titanium oxide (TiO2) nanoparticles with diameters of 30-80 nm were incorporated into an atmospheric plasma deposited tetramethylorthosilicate (TMOS) siloxane coating. The TMOS/TiO2 coating was deposited using the atmospheric plasma jet system known as PlasmaStream. In this system the liquid precursor/nanoparticle mixture is nebulised into the plasma. It was observed that prior to being nebulised the TiO2 particles agglomerated and settled over time in the TMOS/TiO2 mixture. In order to obtain a more stable nanoparticle/TMOS suspension the addition of the alcohols methanol, octanol and pentanol to this mixture was investigated. The addition of each of these alcohols was found to stabilise the nanoparticle suspension. The effect of the alcohol was therefore assessed with respect to the properties of the deposited coatings. It was observed that coatings deposited from TMOS/TiO2, with and without the addition of methanol were broadly similar. In contrast the coatings deposited with octanol and pentanol addition to the TMOS/TiO2 mixture were significantly thicker, for a given set of deposition parameters and were also more homogeneous. This would indicate that the alcohol precursor was incorporated into the plasma polymerised siloxane. The incorporation of the organic functionality from the alcohols was confirmed from FTIR spectra of the coatings. The difference in behaviour with alcohol type is likely to be due to the lower boiling point of methanol (65 degrees C), which is lower than the maximum plasma temperature measured at the jet orifice (77 degrees C). This temperature is significantly lower than the 196 degrees C and 136 degrees C boiling points of octanol and pentanol respectively. The friction of the coatings was determined using the Pin-on-disc technique. The more organic coatings deposited with

Complementary vapor pressure data for 2-methyl-1-propanol and 3-methyl-1-butanol at a pressure range of (15 to 177) kPa

Energy Technology Data Exchange (ETDEWEB)

Bejarano, Arturo; Quezada, Nathalie [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile); Fuente, Juan C. de la [Departamento de Ingenieria Quimica y Ambiental, Universidad Tecnica Federico Santa Maria, Avda. Espana 1680, Valparaiso (Chile)], E-mail: juan.delafuente@usm.cl

2009-09-15

The vapor pressure of pure 2-methyl-1-propanol and 3-methyl-1-butanol, components called congeners that are present in aroma of wine, pisco, and other alcoholic beverages, were measured with a dynamic recirculation apparatus at a pressure range of (15 to 177) kPa with an estimated uncertainty <0.2%. The measurements were performed at temperature ranges of (337 to 392) K for 2-methyl-1-propanol and (358 to 422) K for 3-methyl-1-butanol. Data were correlated using a Wagner-type equation with standard deviations of 0.09 kPa for the vapor pressure of 2-methyl-1-propanol and 0.21 kPa for 3-methyl-1-butanol. The experimental data and correlation were compared with data selected from the literature.

Synthesis of 4-tert-butyl-1,1-dimethylindan and 7-tert-Butyl-3,3-dimethyl-1-indanone and a comparison of isomers

International Nuclear Information System (INIS)

Eisenbraun, E.J.; Harms, W.M.; Paraniswamy, V.A.; Chen, H.H.; Porcaro, P.J.; Wood, T.F.; Chien, M.

1982-01-01

4-tert-Butyl-1,1-dimethylindan was synthesized to help establish the identity of products (5- and 6-tert-butyl-1,1-dimethylindan as minor and major products, respectively) from the sulfuric acid catalyzed condensation of tert-butylbenzene and isoprene. NMR ( 1 H and 13 C) studies of these hydrocarbons and their corresponding indanones, obtained through chromic acid oxidation, provided structural proof. Gated decoupling experiments were crucial to complete assignment

1-[(E-2-(5-tert-Butyl-2-hydroxyphenyldiazen-1-yl]naphthalen-2-ol

Directory of Open Access Journals (Sweden)

Hassiba Bougueria

2014-02-01

Full Text Available The non-H atoms of the title compound, C20H20N2O2, is located on a mirror plane except two methyl groups of the tert-butyl group. Intramolecular N—H...O hydrogen bonds exist between the hydroxy and diazenyl groups. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains running along the a-axis direction.

{2-[Bis(2,4-di-tert-butylphenoxyphosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC1}[(1,2,5,6-η-cycloocta-1,5-diene]rhodium(I toluene monosolvate

Directory of Open Access Journals (Sweden)

Detlef Selent

2012-02-01

Full Text Available The reaction of (η3-allyl[(1,2,5,6-η-cycloocta-1,5-diene]rhodium(I with tris(2,4-di-tert-butylphenylphosphite in toluene produces the title compound, [Rh(C42H62O3P(C8H12]·C7H8, by spontaneous metallation at one of the nonsubstituted phenyl ortho-C atoms of the phosphite molecule. The coordination geometry at the RhI ion is distorted square-planar. The toluene solvent molecule is disordered over two different orientations, with site-occupation factors of 0.810 (2 and 0.190 (2.

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

Science.gov (United States)

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

2013-02-01

In this contribution, we investigate the color transition behavior of polydiacetylene (PDA) vesicles upon exposure to different chemical stimuli. A series of linear and branched alcohols are used as model additives, allowing systematic control of their molecular shape and polarity. The PDA vesicles are fabricated by using three monomers, 10,12-pentacosadiynoic acid (PCDA), 10,12-tricosadyinoic acid (TCDA), and N-(2-amino ethyl)pentacosa-10,12-dyinamide (AEPCDA). When a series of linear alcohols is used, the longer alcohol length causes color transition of all PDA vesicles. In this system, the penetration of linear alcohols into the inner layer of PDA vesicles is dictated by their polarity. The change of -OH position within the alcohol molecule also affects the degree of penetration. It requires a higher amount of the 2-propanol to induce color transitions of the PDAs compared to that of the 1-propanol. The addition of methyl branches into the hydrophobic tail of alcohols causes an increase in steric effect, which hinders the penetration as well. When the 2,2-dimethyl-1-propanol is used as a stimulus, the color transition of PDAs occurs at much higher alcohol concentration compared to 2-methyl-1-butanol, 3-methyl-1-butanol, and 1-pentanol. The variation of PDA structures also affects their ability to interact with the alcohols. The modified head group of poly(AEPCDA) promotes the ability to distinguish between 1-propanol and 2-propanol or 1-propanol and ethanol. Copyright © 2012 Elsevier Inc. All rights reserved.

Dataset on photonic crystal fiber based chemical sensor.

Science.gov (United States)

Ahmed, Kawsar; Paul, Bikash Kumar; Chowdhury, Sawrab; Islam, Md Shadidul; Sen, Shuvo; Islam, Md Ibadul; Asaduzzaman, Sayed; Bahar, Ali Newaz; Miah, Mohammad Badrul Alam

2017-06-01

This article represents the data set of micro porous core photonic crystal fiber based chemical sensor. The suggested structure is folded cladding porous shaped with circular air hole. Here is investigated four distinctive parameters including relative sensitivity, confinement loss, numerical aperture (NA), and effective area ( A eff). The numerical outcomes are computed over the E+S+C+L+U communication band. The useable sensed chemicals are methanol, ethanol, propanol, butanol, and pentanol whose are lies in the alcohol series (Paul et al., 2017) [1]. Furthermore, V -parameter ( V ), Marcuse spot size (MSS), and beam divergence (BD) are also investigated rigorously. All examined results have been obtained using finite element method based simulation software COMSOL Multiphysics 4.2 versions with anisotropic circular perfectly matched layer (A-CPML). The proposed PCF shows the high NA from 0.35 to 0.36; the low CL from ~10 -11 to ~10 -7  dB/m; the high A eff from 5.50 to 5.66 µm 2 ; the MSS from 1.0 to 1.08 µm; the BD from 0.43 to 0.46 rad at the controlling wavelength λ = 1.55 µm for employing alcohol series respectively.

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

International Nuclear Information System (INIS)

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

1991-01-01

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

Extractive separation of tellurium(4)

International Nuclear Information System (INIS)

Gawali, S.B.; Shinde, V.M.

1977-01-01

A method is described for the extraction of tellurium (4) from hydrobromic acid media using 4-methyl-2-pentanol as an extractant. The method affords the determination of tellurium after its separation from Se, Au, Cu, Pb, Fe, Os, V and Al. (author)

Rate constant measurements for the overall reaction of OH + 1-butanol → products from 900 to 1200 K.

Science.gov (United States)

Pang, Genny A; Hanson, Ronald K; Golden, David M; Bowman, Craig T

2012-03-15

The rate constant for the overall reaction OH + 1-butanol → products was determined in the temperature range 900 to 1200 K from measurements of OH concentration time histories in reflected shock wave experiments of tert-butyl hydroperoxide (TBHP) as a fast source of OH radicals with 1-butanol in excess. Narrow-linewidth laser absorption was employed for the quantitative OH concentration measurement. A detailed kinetic mechanism was constructed that includes updated rate constants for 1-butanol and TBHP kinetics that influence the near-first-order OH concentration decay under the present experimental conditions, and this mechanism was used to facilitate the rate constant determination. The current work improves upon previous experimental studies of the title rate constant by utilizing a rigorously generated kinetic model to describe secondary reactions. Additionally, the current work extends the temperature range of experimental data in the literature for the title reaction under combustion-relevant conditions, presenting the first measurements from 900 to 1000 K. Over the entire temperature range studied, the overall rate constant can be expressed in Arrhenius form as 3.24 × 10(-10) exp(-2505/T [K]) cm(3) molecule(-1) s(-1). The influence of secondary reactions on the overall OH decay rate is discussed, and a detailed uncertainty analysis is performed yielding an overall uncertainty in the measured rate constant of ±20% at 1197 K and ±23% at 925 K. The results are compared with previous experimental and theoretical studies on the rate constant for the title reaction and reasonable agreement is found when the earlier experimental data were reinterpreted.

Fragrance material review on 2-methyl-4-phenyl-2-butanol.

Science.gov (United States)

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

2012-09-01

A toxicologic and dermatologic review of 2-methyl-4-phenyl-2-butanol when used as a fragrance ingredient is presented. 2-methyl-4-phenyl-2-butanol is a member of the fragrance structural group Aryl Alkyl Alcohols and is a tertiary alcohol. The AAAs are a structurally diverse class of fragrance ingredients that includes primary, secondary, and tertiary alkyl alcohols covalently bonded to an aryl (Ar) group, which may be either a substituted or unsubstituted benzene ring. The common structural element for the AAA fragrance ingredients is an alcohol group -C-(R1)(R2)OH and generically the AAA fragrances can be represented as an Ar-C-(R1)(R2)OH or Ar-Alkyl-C-(R1)(R2)OH group. This review contains a detailed summary of all available toxicology and dermatology papers that are related to this individual fragrance ingredient and is not intended as a stand-alone document. Available data for 2-methyl-4-phenyl-2-butanol were evaluated then summarized and includes physical properties, acute toxicity, skin irritation, and skin sensitization data. A safety assessment of the entire Aryl Alkyl Alcohols will be published simultaneously with this document; please refer to Belsito et al. (2012) for an overall assessment of the safe use of this material and all Aryl Alkyl Alcohols in fragrances. assessment of aryl alkyl alcohols when used as fragrance ingredients. Copyright © 2011 Elsevier Ltd. All rights reserved.

Evaluation of thermodynamic properties of fluid mixtures by PC-SAFT model

International Nuclear Information System (INIS)

Almasi, Mohammad

2014-01-01

Experimental and calculated partial molar volumes (V ¯ m,1 ) of MIK with (♦) 2-PrOH, (♢) 2-BuOH, (●) 2-PenOH at T = 298.15 K. (—) PC-SAFT model. - Highlights: • Densities and viscosities of the mixtures (MIK + 2-alkanols) were measured. • PC-SAFT model was applied to correlate the volumetric properties of binary mixtures. • Agreement between experimental data and calculated values by PC-SAFT model is good. - Abstract: Densities and viscosities of binary mixtures of methyl isobutyl ketone (MIK) with polar solvents namely, 2-propanol, 2-butanol and 2-pentanol, were measured at 7 temperatures (293.15–323.15 K) over the entire range of composition. Using the experimental data, excess molar volumes V m E , isobaric thermal expansivity α p , partial molar volumes V ¯ m,i and viscosity deviations Δη, have been calculated due to their importance in the study of specific molecular interactions. The observed negative and positive values of deviation/excess parameters were explained on the basis of the intermolecular interactions occur in these mixtures. The Perturbed Chain Statistical Association Fluid Theory (PC-SAFT) has been used to correlate the volumetric behavior of the mixtures

Synthesis of 4-tert-Butyltoluene by Vapor Phase tert-Butylation of Toluene with tert-Butylalcohol over USY Zeolite

Directory of Open Access Journals (Sweden)

Yan Ming Shen

2015-03-01

Full Text Available Vapour phase tert-butylation of toluene with tert-butylalcohol was studied over ultra-stable Y zeolite (USY catalyst. The effects of reaction temperature, toluene/TBA molar ratio and liquid space velocity on conversion of toluene and selectivity for 4-tert-butyltoluene were studied. The deactivation and regeneration of the catalyst was also investigated. The results showed that the USY zeolite catalyst offered better toluene conversion of about 30 % and 4-tert-butyltoluene selectivity of about 89 % at the suitable reaction condition as follows: reaction temperature of 120 oC, toluene/TBA ratio of 2:1 and liquid space velocity of 2 ml/g·h. The clogging of mocropores by the formed carbon or oligomers was the main reason for the deactivation of the catalyst. By combustion at 550 oC, the catalyst just lost about 5 % in toluene conversion and about 2 % in PTBT selectivity. © 2015 BCREC UNDIP. All rights reservedReceived: 17th July 2014; Revised: 31st August 2014; Accepted: 3rd September 2014How to Cite: Shen, Y.M., Yuan, S., Fan, L., Liu, D.B., Li, S.F. (2015. Synthesis of 4-tert-Butyltoluene by Vapor Phase tert-Butylation of Toluene with tert-Butylalcohol over USY Zeolite. Bulletin of Chemical Reaction Engineering & Catalysis, 10 (1: 1-7. (doi:10.9767/bcrec.10.1.7140.1-7Permalink/DOI: http://dx.doi.org/10.9767/bcrec.10.1.7140.1-7

Extraction of low-temperature tar by various alcohols

Energy Technology Data Exchange (ETDEWEB)

Hara, N; Osawa, M; Azuma, H

1948-01-01

MeOH was the most effective of the alcohols tested (MeOH to pentanol) in extracting acid components from low-temperature tar. The optimum concentrations of MeOH were 70 to 80% for 1 extraction and 70 to 75% for repeated or continuous extractions when the solvent-tar ratio was 1:1. By 2 to 3 extractions neutral oil could be separated in about 90% yield including > 3% acidic oil.

Comparative study on heat pipe performance using aqueous solutions of alcohols

Energy Technology Data Exchange (ETDEWEB)

Senthilkumar, R.; Vaidyanathan, S.; Sivaraman, B. [Annamalai University, Department of Mechanical Engineering, Annamalai Nagar, Tamil Nadu (India)

2012-12-15

This paper deals with the performance characterization of heat pipes using an aqueous solution of long chain alcohols like n-Butanol, n-Pentanol, n-Hexanol and n-Heptanol as working mediums. These solutions are called as self-rewetting fluids, since these fluid mixtures possess a non-linear dependence of the surface tension with temperature. A cylindrical heat pipe made up of copper with two layers of wrapped screen is used as a wick material and partially filled with the self-rewetting fluid water mixture and tested for its heat transport capability like thermal efficiency and thermal resistance at different inclinations and input power levels. A number of tests have been performed with heat pipes, filled with various aqueous solutions of alcohols with a concentration of 2 ml/l in de-ionized water (DI water) on volume basis. The results obtained for heat pipes using self rewetting fluids show improved performances, when compared to DI water heat pipes. (orig.)

The synthesis of [1-11C]-butanol

International Nuclear Information System (INIS)

Helus, F.; Maier-Borst, W.; Oberdorfer, F.; Silvester, D.J.

1982-01-01

11 C-labelled butanol has been synthesised for use as a tracer in the assessment of regional blood supply for substrate utilisation in tumors. 11 CO 2 was produced by the 14 N(p,a) 11 C reactions in a cyclotron. 11 C-butanol was formed by the carboxylation of n-propyl magnesium chlorides with 11 CO 2 , and reduction of the resulting 11 C-butyric acid with LiAlH 4 . (U.K.)

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

Science.gov (United States)

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

2014-01-15

Most processes involving bubbling in a liquid require small bubbles to maximise mass/energy transfer. A common method to prevent bubbles from coalescing is by the addition of surfactants. In order to get an insight into the coalescence process, capillary bubbles were observed using a high speed cinematography. Experiments were performed in solutions of 1-pentanol, 4-methyl-2-pentanol, tri(propylene glycol) methyl ether, and poly(propylene glycol) for which information such as the coalescence time and the deformation of the resultant bubble upon coalescence was extracted. It is shown in this study that the coalescence time increases with surfactant concentration until the appearance of a plateau. The increase in coalescence time with surfactant concentration could not be attributed only to surface elasticity. The oscillation of the resultant bubble was characterised by the damping of the oscillation. The results suggested that a minimum elasticity is required to achieve an increased damping and considerable diffusion has a detrimental effect on the dynamic response of the bubble, thereby reducing the damping. Copyright © 2013 Elsevier Inc. All rights reserved.

Reliable Evaluation of Temperature-Independent Parameters in Correlation of Vapour–Liquid Equilibrium Data.

Czech Academy of Sciences Publication Activity Database

Pavlíček, Jan; Wichterle, Ivan

2007-01-01

Roč. 260, 1 (2007) , s. 70-73 ISSN 0378-3812 R&D Projects: GA ČR(CZ) GA104/03/1555 Institutional research plan: CEZ:AV0Z40720504 Keywords : temperature dependence of parameters * isometric pentanols * correlation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.506, year: 2007

New methodology for simultaneous volumetric and calorimetric measurements: Direct determination of {alpha}{sub p} and C{sub p} for liquids under pressure

Energy Technology Data Exchange (ETDEWEB)

Casas, L. M. [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Universidad de Vigo, Lagoas Marcosende s/n, 36310 Vigo (Spain); Plantier, F.; Bessieres, D. [Laboratoire de Thermodynamique et Energetique des Fluides Complexes-UMR 5150, Universite de Pau et des Pays de l' Adour, BP 1155, 64013 Pau (France)

2009-12-15

A new batch cell has been developed to measure simultaneously both isobaric thermal expansion and isobaric heat capacity from calorimetric measurements. The isobaric thermal expansion is directly proportional to the linear displacement of an inner flexible below and the heat capacity is calculated from the calorimetric signal. The apparatus used was a commercial Setaram C-80 calorimeter and together with this type of vessels can be operated up to 20 MPa and in the temperature range of 303.15-523.15 K, In this work, calibration was carried out using 1-hexanol and subsequently both thermophysical properties were determined for 3-pentanol, 3-ethyl-3-pentanol, and 1-octanol at atmospheric pressure, 5 and 10 MPa, and from 303.15 to 423.15 K in temperature. Finally experimental values were compared with the literature in order to validate this new methodology, which allows a very accurate determination of isobaric thermal expansion and isobaric heat capacity.

Solubility of carbon dioxide, methane, and ethane in 1-butanol and saturated liquid densities and viscosities

International Nuclear Information System (INIS)

Kariznovi, Mohammad; Nourozieh, Hossein; Abedi, Jalal

2013-01-01

Highlights: • Experimental solubilities of CH 4 , C 2 H 6 , and CO 2 in 1-butanol and saturated liquid properties. • Solubilities and saturated liquid densities were predicted with SRK and PR EOS. • Solubility of C 2 H 6 in 1-butanol is higher than CH 4 and CO 2 . • Liquid density and viscosity reduces with dissolution of CH 4 and C 2 H 6 . • Dissolution of CO 2 increases liquid density and reduces liquid viscosity. -- Abstract: A designed pressure–volume–temperature (PVT) apparatus has been used to measure the (vapor + liquid) equilibrium properties of three binary mixtures (methane +, ethane +, and carbon dioxide + 1-butanol) at two temperatures (303 and 323) K and at the pressures up to 6 MPa. The solubility of the compressed gases in 1-butanol and the saturated liquid densities and viscosities were measured. In addition, the density and viscosity of pure 1-butanol were measured at two temperatures (303 and 323) K and at the pressures up to 10 MPa. The experimental results show that the solubility of the gases in 1-butanol increases with pressure and decreases with temperature. The dissolution of gases in 1-butanol causes a decline in the viscosity of liquid phase. The saturated liquid density follows a decreasing trend with the solubility of methane and ethane. However, the dissolution of carbon dioxide in 1-butanol leads to an increase in the density of liquid phase. The experimental data are well correlated with Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR) equations of state (EOSs). SRK EOS was slightly superior for correlating the saturated liquid densities

New, innovative and sustainable transportation fuels

Energy Technology Data Exchange (ETDEWEB)

Lassi, U. (Univ. of Oulu, Dept. of Chemistry (Finland)). email: ulla.lassi@oulu.fi; Keiski, R. (Univ. of Oulu, Dept. of Process and Environmental Engineering (Finland)); Kordas, K. (Univ. of Oulu, Microelectronics and Materials Physics Laboratories (Finland)); Mikkola, J.-P. (Aabo Akademi Univ., Lab. of Industrial Chemistry and Reaction Engineering, Turku (Finland))

2009-07-01

Secondary products from the industry - e.g. by-products of food and paper/pulp industry - can be used to manufacture new liquid biofuels or fuel components. A particularly interesting alternative is provided by butanol, which can be produced from biomass, since it seems to be most suitable for replacing petrol as fuel in gasoline engines. Besides, it is very energy efficient and also suitable to be produced on an industrial scale. Production of biobutanol and other higher alcohols is studied in the research project 'New, innovative sustainable transportation fuels for mobile applications; from biocomponents to flexible liquid fuels (SusFuFlex)'. The project is carried out as a joint project between the University of Oulu and Aabo Akademi University. It is financied by the Academy of Finland in 2008-2011, within the research programme for Sustainable Energy. Research focuses on the production of higher bioalcohols and other compounds suitable as oxygenates (e.g. butanol, pentanol, mixed alcohols; e.g. glycerine ethers, glycerol carbonate). The objectives of the research are (1) to evaluate the old and novel procedures for microbiological production of butanol, higher alcohols and oxygenates as fossil fuel substitutes, (2) to develop and optimize catalytic materials and chemical reaction routes for the production of higher alcohols and other bio-derived compounds applicable as gasoline fuel and its additives, (3) to conduct a sustainability analysis of the processes to be developed, to analyze the atom economy of the new processes and to make a preliminary economical analysis, and (4) to integrate the processes and know-how developed by the research groups

Structure of the mercury(II mixed-halide (Br/Cl complex of 2,2′-(5-tert-butyl-1,3-phenylenebis(1-pentyl-1H-benzo[d]imidazole

Directory of Open Access Journals (Sweden)

Varsha Rani

2017-03-01

Full Text Available The mercury(II complex of 2,2′-(5-tert-butyl-1,3-phenylenebis(1-pentyl-1H-benzimidazole, namely catena-poly[[dihalogenidomercury(II]-μ-2,2′-(5-tert-butyl-1,3-phenylenebis(1-pentyl-1H-benzimidazole-κ2N3:N3′], [HgBr1.52Cl0.48(C34H42N4], 2, has a polymeric structure bridging via the N atoms from the benzimidazole moieties of the ligand. The compound crystallizes in the orthorhombic space group Pca21 and is a racemic twin [BASF = 0.402 (9]. The geometry around the HgII atom is distorted tetrahedral, with the HgII atom coordinated to two N atoms, one Br atom, and a fourth coordination site is occupied by a mixed halide (Br/Cl. For the two ligands in the asymmetric unit, there is disorder with one of the two tert-butyl groups and benzimidazole moieties showing twofold disorder, with occupancy factors of 0.57 (2:0.43 (2 for the tert-butyl group and 0.73 (3:0.27 (3 for the benzimidazole group. In addition, there is threefold disorder for two of the four n-pentyl groups, with occupancy factors of 0.669 (4:0.177 (4:0.154 (4 and 0.662 (4:0.224 (4:0.154 (4, respectively. The molecules form a one-dimensional helical polymer propagating in the b-axis direction. The helices are held together by intra-strand C—H...Br and C—H...Cl interactions. Each strand is further linked by inter-strand C—H...Br and C—H...Cl interactions. In addition, there are weak C—H...N inter-strand interactions which further stabilize the structural arrangement.

Densities, excess molar volumes, speeds of sound and isothermal compressibilities for {2-(2-hexyloxyethoxy)ethanol + n-alkanol} systems at temperatures between (288.15 and 308.15) K

International Nuclear Information System (INIS)

Pal, Amalendu; Gaba, Rekha

2008-01-01

The densities, ρ and the speeds of sound, u, for {2-(2-hexyloxyethoxy)ethanol (C 6 E 2 ) + methanol, +1-propanol, +1-pentanol, and +1-heptanol} have been measured as a function of composition using an Anton-Paar DSA 5000 densimeter at temperatures (288.15, 293.15, 298.15, 303.15, and 308.15) K and atmospheric pressure over the whole concentration range. The ρ and u values were used to calculate excess molar volumes, V E , and excess molar isentropic compressibility, K S,m E , respectively. Also, thermal expansivity, α, partial molar volume, V-bar i , and partial molar volume of the components at infinite dilution, V-bar i 0 , have been calculated. The variation of these properties with composition and temperature of the mixtures are discussed in terms of molecular interactions

Dataset on photonic crystal fiber based chemical sensor

Directory of Open Access Journals (Sweden)

Kawsar Ahmed

2017-06-01

Full Text Available This article represents the data set of micro porous core photonic crystal fiber based chemical sensor. The suggested structure is folded cladding porous shaped with circular air hole. Here is investigated four distinctive parameters including relative sensitivity, confinement loss, numerical aperture (NA, and effective area (Aeff. The numerical outcomes are computed over the E+S+C+L+U communication band. The useable sensed chemicals are methanol, ethanol, propanol, butanol, and pentanol whose are lies in the alcohol series (Paul et al., 2017 [1]. Furthermore, V-parameter (V, Marcuse spot size (MSS, and beam divergence (BD are also investigated rigorously. All examined results have been obtained using finite element method based simulation software COMSOL Multiphysics 4.2 versions with anisotropic circular perfectly matched layer (A-CPML. The proposed PCF shows the high NA from 0.35 to 0.36; the low CL from ~10–11 to ~10−7 dB/m; the high Aeff from 5.50 to 5.66 µm2; the MSS from 1.0 to 1.08 µm; the BD from 0.43 to 0.46 rad at the controlling wavelength λ = 1.55 µm for employing alcohol series respectively.

Optimization Study for Butanol Extraction from Butanol-Water Using Fatty Acid Methyl Ester (FAME) as Solvent

International Nuclear Information System (INIS)

Nurul Izzati Ab Rahim; Mohd Irfan Hatim Mohamed Dzahir; Wan Nurul Hidayah Wan Othman

2015-01-01

The oil crisis, warned the humanity's depends on oil was not sustainable and recently, there are plenty of renewable resources had been developed. Much attention has been given to the solvent extraction process to separate butanol from butanol-water mixture using fatty acid methyl ester (FAME) as a solvent. In this respect, the use of FAME as a green solvent which are locally available has greater potential for butanol extraction process. Therefore, an experimental work has been carried out to study its feasibility as a potential solvent. A single stage extraction process as performed to evaluate the ability to achieve optimal extract butanol. The extraction process was carried out to evaluate the distribution coefficient of butanol with the effects of other parameters such as reaction temperature (50-70 degree Celsius) and butanol-water mixture to solvent ratio (1:1, 1:1.5, 1:2). The constant parameter is the stirring speed (300 rpm). Response Surface Methodology (RSM) in conjunction with the Central Composition Design (CCD) as employed to statistically evaluate and optimize the butanol extraction process. It was found that the distribution coefficient has achieved an optimum level of 1.92 % at the following conditions: (i) butanol-water mixtures to solvent ratio (1:1.48) and (ii) reaction temperature (62.75 degree Celsius). (author)

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

Science.gov (United States)

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

2015-06-05

The kinetics of oxidation of various alcohols by purified rat liver alcohol dehydrogenase (ADH) were compared with the kinetics of elimination of the alcohols in rats in order to investigate the roles of ADH and other factors that contribute to the rates of metabolism of alcohols. Primary alcohols (ethanol, 1-propanol, 1-butanol, 2-methyl-1-propanol, 3-methyl-1-butanol) and diols (1,3-propanediol, 1,3-butanediol, 1,4-butanediol, 1,5-pentanediol) were eliminated in rats with zero-order kinetics at doses of 5-20 mmol/kg. Ethanol was eliminated most rapidly, at 7.9 mmol/kgh. Secondary alcohols (2-propanol-d7, 2-propanol, 2-butanol, 3-pentanol, cyclopentanol, cyclohexanol) were eliminated with first order kinetics at doses of 5-10 mmol/kg, and the corresponding ketones were formed and slowly eliminated with zero or first order kinetics. The rates of elimination of various alcohols were inhibited on average 73% (55% for 2-propanol to 90% for ethanol) by 1 mmol/kg of 4-methylpyrazole, a good inhibitor of ADH, indicating a major role for ADH in the metabolism of the alcohols. The Michaelis kinetic constants from in vitro studies (pH 7.3, 37 °C) with isolated rat liver enzyme were used to calculate the expected relative rates of metabolism in rats. The rates of elimination generally increased with increased activity of ADH, but a maximum rate of 6±1 mmol/kg h was observed for the best substrates, suggesting that ADH activity is not solely rate-limiting. Because secondary alcohols only require one NAD(+) for the conversion to ketones whereas primary alcohols require two equivalents of NAD(+) for oxidation to the carboxylic acids, it appears that the rate of oxidation of NADH to NAD(+) is not a major limiting factor for metabolism of these alcohols, but the rate-limiting factors are yet to be identified. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Impact of zinc supplementation on the improved fructose/xylose utilization and butanol production during acetone-butanol-ethanol fermentation.

Science.gov (United States)

Wu, You-Duo; Xue, Chuang; Chen, Li-Jie; Bai, Feng-Wu

2016-01-01

Lignocellulosic biomass and dedicated energy crops such as Jerusalem artichoke are promising alternatives for biobutanol production by solventogenic clostridia. However, fermentable sugars such as fructose or xylose released from the hydrolysis of these feedstocks were subjected to the incomplete utilization by the strains, leading to relatively low butanol production and productivity. When 0.001 g/L ZnSO4·7H2O was supplemented into the medium containing fructose as sole carbon source, 12.8 g/L of butanol was achieved with butanol productivity of 0.089 g/L/h compared to only 4.5 g/L of butanol produced with butanol productivity of 0.028 g/L/h in the control without zinc supplementation. Micronutrient zinc also led to the improved butanol production up to 8.3 g/L derived from 45.2 g/L xylose as sole carbon source with increasing butanol productivity by 31.7%. Moreover, the decreased acids production was observed under the zinc supplementation condition, resulting in the increased butanol yields of 0.202 g/g-fructose and 0.184 g/g-xylose, respectively. Similar improvements were also observed with increasing butanol production by 130.2 % and 8.5 %, butanol productivity by 203.4% and 18.4%, respectively, in acetone-butanol-ethanol fermentations from sugar mixtures of fructose/glucose (4:1) and xylose/glucose (1:2) simulating the hydrolysates of Jerusalem artichoke tubers and corn stover. The results obtained from transcriptional analysis revealed that zinc may have regulatory mechanisms for the sugar transport and metabolism of Clostridium acetobutylicum L7. Therefore, micronutrient zinc supplementation could be an effective way for economic development of butanol production derived from these low-cost agricultural feedstocks. Copyright © 2015 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Simple and Efficient Synthesis of Racemic 2-(tert-Butoxycarbon-ylamino-2-methyl-3-(1H-1,2,4-triazol-1-ylpropanoic Acid, a New Derivative of β-(1,2,4-Triazol-1-ylalanine

Directory of Open Access Journals (Sweden)

Abdelali Kerbal

2011-04-01

Full Text Available A simple synthetic approach to racemic N-tert-butyloxycarbonyl-2-methyl-3-(1H-1,2,4-triazol-1-ylalanine (5 in four steps and 68% overall yield starting from oxazoline derivative 1 is reported. This synthesis involves the alkylation of 1H-1,2,4-triazole with an O-tosyloxazoline derivative, followed by an oxazoline ring-opening reaction and oxidation of the N-protected β‑aminoalcohol by potassium permanganate.

Simultaneous analysis of tert-butylhydroquinone, tert-butylquinone, butylated hydroxytoluene, 2-tert-butyl-4-hydroxyanisole, 3-tert-butyl-4-hydroxyanisole, α-tocopherol, γ-tocopherol, and δ-tocopherol in edible oils by normal-phase high performance liquid chromatography.

Science.gov (United States)

Li, Jun; Bi, Yanlan; Sun, Shangde; Peng, Dan

2017-11-01

A normal-phase high performance liquid chromatography method for the simultaneous determination of tert-butylhydroquinone, tert-butylquinone, butylated hydroxytoluene, 2-tert-butyl-4-hydroxyanisole, 3-tert-butyl-4-hydroxyanisole, α-tocopherol, γ-tocopherol, and δ-tocopherol in edible oils was investigated. A silica column was used to separate the analytes with the gradient elution. An ultraviolet-visible detector was set at dual wavelengths mode (280 and 310nm). The column temperature was 30°C. The analytes were directly extracted with methanol. Results showed that the normal-phase high performance liquid chromatography method performed well with wide liner ranges (0.10∼500.00μg/mL, R 2 >0.9998), low limits of detection and quantitation (below 0.40 and 1.21μg/mL, respectively), and good recoveries (81.38∼102.34% in soybean oils and 83.03∼100.79% in lard, respectively). The reduction of tert-butylquinone caused by the reverse-phase high performance liquid chromatography during the injection was avoided with the current normal-phase method. The two isomers of butylated hydroxyanisole can also be separated with good resolution. Copyright © 2017 Elsevier Ltd. All rights reserved.

Evaluation of thermodynamic properties of fluid mixtures by PC-SAFT model

Energy Technology Data Exchange (ETDEWEB)

Almasi, Mohammad, E-mail: m.almasi@khouzestan.srbiau.ac.ir

2014-09-10

Experimental and calculated partial molar volumes (V{sup ¯}{sub m,1}) of MIK with (♦) 2-PrOH, (♢) 2-BuOH, (●) 2-PenOH at T = 298.15 K. (—) PC-SAFT model. - Highlights: • Densities and viscosities of the mixtures (MIK + 2-alkanols) were measured. • PC-SAFT model was applied to correlate the volumetric properties of binary mixtures. • Agreement between experimental data and calculated values by PC-SAFT model is good. - Abstract: Densities and viscosities of binary mixtures of methyl isobutyl ketone (MIK) with polar solvents namely, 2-propanol, 2-butanol and 2-pentanol, were measured at 7 temperatures (293.15–323.15 K) over the entire range of composition. Using the experimental data, excess molar volumes V{sub m}{sup E}, isobaric thermal expansivity α{sub p}, partial molar volumes V{sup ¯}{sub m,i} and viscosity deviations Δη, have been calculated due to their importance in the study of specific molecular interactions. The observed negative and positive values of deviation/excess parameters were explained on the basis of the intermolecular interactions occur in these mixtures. The Perturbed Chain Statistical Association Fluid Theory (PC-SAFT) has been used to correlate the volumetric behavior of the mixtures.

Alkylation of 2,6-di-tert-butylphenol with methyl acrylate catalyzed by potassium-2,6-di-tert-butylphenoxide

OpenAIRE

Zaikov, Gennady; Volod’kin, Alexander

2010-01-01

The kinetics of catalytic alkylation of 2,6-ditert- butylphenol (ArOH) with methyl acrylate (MA) in the presence of potassium 2,6-di-tert-butylphenoxide (ArOK) depends on the method for the preparation of ArOK. The reaction ofArOH withKOHat temperatures > 453 Kaffords monomeric ArOK, which properties differ from those in the case of potassium 2,6-di-tert-butylphenoxide synthesized by the earliermethods.The regularities ofArOH alkylation depend ontheArOKconcentration, theArOH...

A study on the treatment of non-biodegrable wastewater by using radiation

International Nuclear Information System (INIS)

Lee, Myeon Joo; Jin, Jun Ha; Yoon, Byeong Mok; Kim, Sam Rang; Yim, Moon Ho

1994-08-01

This study was carried out for decomposition of tert-butanol which has been called non-biodegradable wastewater by using gamma radiation combined with ozone. When tert-butanol was oxidized by ozone combined with irradiation, a large amount of tert-butanol could be not only easily converted into by-products, such as organic acid, but also oxidized to final products. The irradiation acts an important roll of production of O 2 - radical which is essential in decomposition of tert-butanol. (Author)

Solvent extraction of indium and gallium complexes with bromopyrogallol red by mixed extractants containing chloroform, a polar organic solvent and monocarboxylic acids

International Nuclear Information System (INIS)

Pyatnitskij, I.V.; Lysenko, O.V.; Kolomiets, L.L.

1987-01-01

Solvent extraction of indium and gallium complexes with bromopyragallol red (BPR) has been studied using mixed extractants containing chloroform, capronic acid (HL) and 1-pentanol (S) (extractant 1), and chloroform, HL, S and propionic acid (extractant 2). The latter is more selectie and extracts only the indium complex. Optimal conditions have been found for the extraction of In-BRP complex (pH 6.3-6.5; C BPR 1.5x10 -4 M) its composition has been estimated and discussed

Poly[[[diisothiocyanatocobalt(II]-bis[μ-4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol

Directory of Open Access Journals (Sweden)

2009-03-01

Full Text Available In the title compound, {[Co(NCS2(C16H20N6O2]·2C3H7NO·2H2O}n, each CoII ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol (L ligands, and by two N atoms from two axial thiocyanate anions [Co—N = 2.104 (3–2.144 (3 Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethylformamide and solvent water molecules participate in intermolecular O—H...O and O—H...S hydrogen bonds, which consolidate the crystal packing.

A novel in situ gas stripping-pervaporation process integrated with acetone-butanol-ethanol fermentation for hyper n-butanol production.

Science.gov (United States)

Xue, Chuang; Liu, Fangfang; Xu, Mengmeng; Zhao, Jingbo; Chen, Lijie; Ren, Jiangang; Bai, Fengwu; Yang, Shang-Tian

2016-01-01

Butanol is considered as an advanced biofuel, the development of which is restricted by the intensive energy consumption of product recovery. A novel two-stage gas stripping-pervaporation process integrated with acetone-butanol-ethanol (ABE) fermentation was developed for butanol recovery, with gas stripping as the first-stage and pervaporation as the second-stage using the carbon nanotubes (CNTs) filled polydimethylsiloxane (PDMS) mixed matrix membrane (MMM). Compared to batch fermentation without butanol recovery, more ABE (27.5 g/L acetone, 75.5 g/L butanol, 7.0 g/L ethanol vs. 7.9 g/L acetone, 16.2 g/L butanol, 1.4 g/L ethanol) were produced in the fed-batch fermentation, with a higher butanol productivity (0.34 g/L · h vs. 0.30 g/L · h) due to reduced butanol inhibition by butanol recovery. The first-stage gas stripping produced a condensate containing 155.6 g/L butanol (199.9 g/L ABE), which after phase separation formed an organic phase containing 610.8 g/L butanol (656.1 g/L ABE) and an aqueous phase containing 85.6 g/L butanol (129.7 g/L ABE). Fed with the aqueous phase of the condensate from first-stage gas stripping, the second-stage pervaporation using the CNTs-PDMS MMM produced a condensate containing 441.7 g/L butanol (593.2 g/L ABE), which after mixing with the organic phase from gas stripping gave a highly concentrated product containing 521.3 g/L butanol (622.9 g/L ABE). The outstanding performance of CNTs-PDMS MMM can be attributed to the hydrophobic CNTs giving an alternative route for mass transport through the inner tubes or along the smooth surface of CNTs. This gas stripping-pervaporation process with less contaminated risk is thus effective in increasing butanol production and reducing energy consumption. © 2015 Wiley Periodicals, Inc.

Improvement of the butanol production selectivity and butanol to acetone ratio (B:A) by addition of electron carriers in the batch culture of a new local isolate of Clostridium acetobutylicum YM1.

Science.gov (United States)

Nasser Al-Shorgani, Najeeb Kaid; Kalil, Mohd Sahaid; Wan Yusoff, Wan Mohtar; Shukor, Hafiza; Hamid, Aidil Abdul

2015-12-01

Improvement in the butanol production selectivity or enhanced butanol:acetone ratio (B:A) is desirable in acetone-butanol-ethanol (ABE) fermentation by Clostridium strains. In this study, artificial electron carriers were added to the fermentation medium of a new isolate of Clostridium acetobutylicum YM1 in order to improve the butanol yield and B:A ratio. The results revealed that medium supplementation with electron carriers changed the metabolism flux of electron and carbon in ABE fermentation by YM1. A decrease in acetone production, which subsequently improved the B:A ratio, was observed. Further improvement in the butanol production and B:A ratios were obtained when the fermentation medium was supplemented with butyric acid. The maximum butanol production (18.20 ± 1.38 g/L) was gained when a combination of methyl red and butyric acid was added. Although the addition of benzyl viologen (0.1 mM) and butyric acid resulted in high a B:A ratio of 16:1 (800% increment compared with the conventional 2:1 ratio), the addition of benzyl viologen to the culture after 4 h resulted in the production of 18.05 g/L butanol. Manipulating the metabolic flux to butanol through the addition of electron carriers could become an alternative strategy to achieve higher butanol productivity and improve the B:A ratio. Copyright © 2015 Elsevier Ltd. All rights reserved.

Haemozoin (B-haematin) biomineralization occurs by self-assembly near the lipid/water interface

CSIR Research Space (South Africa)

Egan, TJ

2006-09-01

Full Text Available remained unknown, although lipids or proteins have been suggested to catalyse its formation. We have found that B-haematin (synthetic haemozoin) forms rapidly under physiologically realistic conditions near octanol/water, pentanol/water and lipid...

Neutron total cross-section of hydrogenous and deuterated 1- and 2-propanol and n-butanol measured using the VESUVIO spectrometer

Science.gov (United States)

Rodríguez Palomino, L. A.; Dawidowski, J.; Márquez Damián, J. I.; Cuello, G. J.; Romanelli, G.; Krzystyniak, M.

2017-10-01

This work presents the total cross sections of a set of normal and deuterated alcohols (hydrogenous 1- and 2-propanol and n-butanol, 1-propanol(OD) and fully deuterated 2-propanol and n-butanol), measured at spectrometer VESUVIO (ISIS spallation neutron source, United Kingdom). Granada's Synthetic Model was applied to describe those systems and a satisfactory agreement with the measured total cross section was achieved in the range of energies from 10-3 to 100 eV. The input parameters of the model were determined from the essential features of the vibrational spectra of the atoms that compose the systems, which were studied using Molecular Dynamics.

Increase in volatilization of organic compounds using air sparging through addition in alcohol in a soil-water system.

Science.gov (United States)

Chao, Huan-Ping; Hsieh, Lin-Han Chiang; Tran, Hai Nguyen

2018-02-15

This study developed a novel method to promote the remediation efficiency of air sparging. According to the enhanced-volatilization theory presented in this study, selected alcohols added to groundwater can highly enhance the volatilization amounts of organic compounds with high Henry's law constants. In this study, the target organic compounds consisted of n-hexane, n-heptane, benzene, toluene, 1,1,2-trichloroethane, and tetrachloroethene. n-pentanol, n-hexanol, and n-heptanol were used to examine the changes in the volatilization amounts of organic compounds in the given period. Two types of soils with high and low organic matter were applied to evaluate the transport of organic compounds in the soil-water system. The volatilization amounts of the organic compounds increased with increasing alcohol concentrations. The volatilization amounts of the test organic compounds exhibited a decreasing order: n-heptanol>n-hexanol>n-pentanol. When 10mg/L n-heptanol was added to the system, the maximum volatilization enhancement rate was 18-fold higher than that in distilled water. Samples of soil with high organic matter might reduce the volatilization amounts by a factor of 5-10. In the present study, the optimal removal efficiency for aromatic compounds was approximately 98%. Copyright © 2017 Elsevier B.V. All rights reserved.

Conceptual design of heterogeneous azeotropic distillation process for ethanol dehydration using 1-butanol as entrainer

Directory of Open Access Journals (Sweden)

Paritta Prayoonyong

2014-12-01

Full Text Available The synthesis of a heterogeneous azeotropic distillation process for ethanol dehydration using 1-butanol as entrainer is presented. The residue curve map of the ethanol/water/1-butanol mixture is computationally generated using non-random twoliquid thermodynamic model. It is found that 1-butanol leads to a residue curve map topological structure different from that generated by typical entrainers used in ethanol dehydration. Synthesised by residue curve map analysis, the distillation flowsheet for ethanol dehydration by 1-butanol comprises a double-feed column integrated with an overhead decanter and a simple column. The double-feed column is used to recover water as the top product, whereas the simple column is used for recovering ethanol and 1-butanol. The separation feasibility and the economically near-optimal designs of distillation columns in the flowsheet are evaluated and identified by using the boundary value design method. The distillation flowsheet using 1-butanol is compared with the conventional process using benzene as entrainer. Based on their total annualised costs, the ethanol dehydration process using 1-butanol is less economically attractive than the process using benzene. However, 1-butanol is less toxic than benzene.

Short rare hTERT-VNTR2-2nd alleles are associated with prostate cancer susceptibility and influence gene expression

International Nuclear Information System (INIS)

Yoon, Se-Lyun; Cheon, Sang-Hyeon; Leem, Sun-Hee; Jung, Se-Il; Do, Eun-Ju; Lee, Se-Ra; Lee, Sang-Yeop; Chu, In-Sun; Kim, Wun-Jae; Jung, Jaeil; Kim, Choung Soo

2010-01-01

The hTERT (human telomerase reverse transcriptase) gene contains five variable number tandem repeats (VNTR) and previous studies have described polymorphisms for hTERT-VNTR2-2 nd . We investigated how allelic variation in hTERT-VNTR2-2 nd may affect susceptibility to prostate cancer. A case-control study was performed using DNA from 421 cancer-free male controls and 329 patients with prostate cancer. In addition, to determine whether the VNTR polymorphisms have a functional consequence, we examined the transcriptional levels of a reporter gene linked to these VNTRs and driven by the hTERT promoter in cell lines. Three new rare alleles were detected from this study, two of which were identified only in cancer subjects. A statistically significant association between rare hTERT-VNTR2-2 nd alleles and risk of prostate cancer was observed [OR, 5.17; 95% confidence interval (CI), 1.09-24.43; P = 0.021]. Furthermore, the results indicated that these VNTRs inserted in the enhancer region could influence the expression of hTERT in prostate cancer cell lines. This is the first study to report that rare hTERT VNTRs are associated with prostate cancer predisposition and that the VNTRs can induce enhanced levels of hTERT promoter activity in prostate cancer cell lines. Thus, the hTERT-VNTR2-2 nd locus may function as a modifier of prostate cancer risk by affecting gene expression

Recovery of Butanol by Counter-Current Carbon Dioxide Fractionation with its Potential Application to Butanol Fermentation

Directory of Open Access Journals (Sweden)

Miriam Solana

2016-06-01

Full Text Available A counter-current CO2 fractionation method was applied as a mean to recover n-butanol and other compounds that are typically obtained from biobutanol fermentation broth from aqueous solutions. The influence of operating variables, such as solvent-to-feed ratio, temperature, pressure and feed solution composition was experimentally studied in terms of separation efficiency, butanol removal rate, total removal and butanol concentration in the extract at the end of the continuous cycle. With respect to the temperature and pressure conditions investigated, results show that the highest separation efficiency was obtained at 35 °C and 10.34 MPa. At these operating conditions, 92.3% of the butanol present in the feed solution was extracted, and a concentration of 787.5 g·L−1 of butanol in the extract was obtained, starting from a feed solution of 20 g·L−1. Selectivity was calculated from experimental data, concluding that our column performs much better than a single equilibrium stage. When adding ethanol and acetone to the feed solution, ethanol was detected in the water-rich fraction (raffinate, whereas the highest concentration of acetone was found in the butanol rich fraction (extract.

Catalytic Upgrading of bio-oil using 1-octene and 1-butanol over sulfonic acid resin catalysts

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhijun; Wang, Qingwen; Tripathi, Prabhat; Pittman, Charles U.

2011-02-04

Raw bio-oil from fast pyrolysis of biomass must be refined before it can be used as a transporation fuel, a petroleum refinery feed or for many other fuel uses. Raw bio-oil was upgraded with the neat model olefin, 1-octene, and with 1-octene/1-butanol mixtures over sulfonic acid resin catalysts frin 80 to 150 degrees celisus in order to simultaneously lower water content and acidity and to increase hydrophobicity and heating value. Phase separation and coke formation were key factors limiting the reaction rate during upgrading with neat 1-octene although octanols were formed by 1-octene hydration along with small amounts of octyl acetates and ethers. GC-MS analysis confirmed that olefin hydration, carboxylic acid esterification, acetal formation from aldehydes and ketones and O- and C-alkylations of phenolic compounds occurred simultaneously during upgrading with 1-octene/1-butanol mixtures. Addition of 1-butanol increased olefin conversion dramatically be reducing mass transfer restraints and serving as a cosolvent or emulsifying agent. It also reacted with carboxylic acids and aldehydes/ketones to form esters, and acetals, respectively, while also serving to stabilize bio-oil during heating. 1-Butanol addition also protected the catalysts, increasing catalyst lifetime and reducing or eliminationg coking. Upgrading sharply increased ester content and decreased the amounts of levoglucosan, polyhydric alcohols and organic acids. Upgrading lowered acidity (pH value rise from 2.5 to >3.0), removed the uppleasant ordor and increased hydrocarbon solubility. Water content decreased from 37.2% to < 7.5% dramatically and calorific value increased from 12.6 MJ kg to about 30.0 MJ kg.

TSA-induced DNMT1 down-regulation represses hTERT expression via recruiting CTCF into demethylated core promoter region of hTERT in HCT116.

Science.gov (United States)

Choi, Jee-Hye; Min, Na Young; Park, Jina; Kim, Jin Hong; Park, Soo Hyun; Ko, Young Jong; Kang, Yoonsung; Moon, Young Joon; Rhee, Sangmyung; Ham, Seung Wook; Park, Ae Ja; Lee, Kwang-Ho

2010-01-01

Trichostatin A (TSA), an inhibitor of histone deacetylase, is a well-known antitumor agent that effectively and selectively induces tumor growth arrest and apoptosis. Recently, it was reported that hTERT is one of the primary targets for TSA-induced apoptosis in cancer cells but the mechanism of which has not yet been elucidated. In the present study, to better understand the epigenetic regulation mechanism responsible for the repression of hTERT by TSA, we examined expression of hTERT in the HCT116 colon cancer cell line after treatment with TSA and performed site-specific CpG methylation analysis of the hTERT promoter. We found that TSA-induced the demethylation of site-specific CpGs on the promoter of hTERT, which was caused by down-regulation of DNA methyltransferase 1 (DNMT1). Among the demethylated region, the 31st-33rd CpGs contained a binding site for CTCF, an inhibitor of hTERT transcription. ChIP analysis revealed that TSA-induced demethylation of the 31st-33rd CpGs promoted CTCF binding on hTERT promoter, leading to repression of hTERT. Taken together, down-regulation of DNMT1 by TSA caused demethylation of a CTCF binding site on the hTERT promoter, the result of which was repression of hTERT via recruitment of CTCF to the promoter. Copyright 2009 Elsevier Inc. All rights reserved.

Effects of humus on acetone-butanol fermentations

Energy Technology Data Exchange (ETDEWEB)

Kovats, J

1963-01-01

Adding 6 to 8 g humus-rich soil dried at 80/sup 0/ to 100 cc sterilized molasses, containing 3.8 sucrose and 0.1% (NH/sub 4/)/sub 2/HPO/sub 4/, inoculated with acetone-butanol fermentative bacteria, increased acetone, butanol, and ethanol yields by 30, 50, and 40%, respectively. The acetone-to-butanol ratio increased from 1.85 to 2.1-2.3 in low and 2.6-2.8 in high sucrose-molasses concentrations. Yields of total organic solvents increased from 25 to 36-8% of the sucrose present. Inorganic salts from ashed humus soils were only 10 to 20% less effective in enhancing fermentation than the whole soil. It is postulated that the fermentation is enhanced by trace elements present in the soil.

Butanol production from thin stillage using Clostridium pasteurianum.

Science.gov (United States)

Ahn, Jae-Hyung; Sang, Byoung-In; Um, Youngsoon

2011-04-01

The production of butanol from thin stillage by Clostridium pasteurianum DSM 525 was evaluated in the paper. At initial pH values ranging from 5.0 to 7.0 C. pasteurianum DSM 525 produced 6.2-7.2 g/L of butanol utilizing glycerol in thin stillage as the main carbon source, with yields of 0.32-0.44 g butanol produced/g glycerol consumed, which are higher than previously reported yields (e.g., 0.14-0.31 g butanol/g glycerol, Biebl, 2001). Lactic acid in the thin stillage acted as a buffering agent, maintaining the pH of the medium within a range of 5.7-6.1. Lactic acid was also utilized along with glycerol, enhancing butanol production (6.5 g/L butanol vs. 8.7 g/L butanol with 0 and 16 g/L lactic acid, respectively). These results demonstrate the feasibility of cost-effective butanol production using thin stillage as a nutrient-containing medium with a pH buffering capacity. Copyright © 2011 Elsevier Ltd. All rights reserved.

Competition between a lamellar and a microemulsion phase in an ionic surfactant system

NARCIS (Netherlands)

Kegel, W.K.; Lekkerkerker, H.N.W.

1993-01-01

An experimental study of a microemulsion system consisting of equal volumes of brine (water plus salt) and oil (cyclohexane), sodium dodecyl sulfate (SDS) as surfactant, and a mixture of hexanol and pentanol as cosurfactant is presented. Increasing the hexanol fraction in the cosurfactant mixture

Interfacial properties and phase behaviour of an ionic microemulsion system

NARCIS (Netherlands)

Kegel, W.K.

1993-01-01

This thesis reports a study of a microemulsion model system composed of the ionic surfactant SDS (Sodium Dodecyl Sulfate), the cosurfactant pentanol and/or hexanol, water, salt and cyclohexane. Depending on the concentrations of the constituent parts, this system may form microemulsion phases and

Synthesis of (1-/sup 11/C)-butanol

Energy Technology Data Exchange (ETDEWEB)

Oberdorfer, F; Helus, F; Maier-Borst, W [Deutsches Krebsforschungszentrum, Heidelberg (Germany, F.R.); Silvester, D J [Hammersmith Hospital, London (UK). M.R.C. Cyclotron Unit

1982-09-20

A method for carrier-free labelling of n-butanol with the positron emitting radionuclide carbon-11 (half-life 20.4 min) is described. Labelling was achieved by carboxylation of n-propyl magnesium chloride with /sup 11/C-labelled carbon dioxide and the subsequent reduction of the resulting free (1-/sup 11/C)-butyric acid with LiAlH/sub 4/ after hydrolysis of the Grignard complex. The procedure permits /sup 11/C-labelled butanol to be prepared in high activity and high radiochemical purity for in vivo biological studies only 25 min after the start of carboxylation of the Grignard compound. Gas chromatography and HPLC were used to assess the purity of the product. To maintain carrier-free conditions, atmospheric carbon dioxide was rigorously excluded from all reagents and every parts of the apparatus.

The synthesis of [1-11C]-butanol

International Nuclear Information System (INIS)

Oberdorfer, F.; Helus, F.; Maier-Borst, W.; Silvester, D.J.

1982-01-01

A method for carrier-free labelling of n-butanol with the positron emitting radionuclide carbon-11 (half-life 20.4 min) is described. Labelling was achieved by carboxylation of n-propyl magnesium chloride with 11 C-labelled carbon dioxide and the subsequent reduction of the resulting free [1- 11 C]-butyric acid with LiAlH 4 after hydrolysis of the Grignard complex. The procedure permits 11 C-labelled butanol to be prepared in high activity and high radiochemical purity for in vivo biological studies only 25 min after the start of carboxylation of the Grignard compound. Gas chromatography and HPLC were used to assess the purity of the product. To maintain carrier-free conditions, atmospheric carbon dioxide was rigorously excluded from all reagents and every parts of the apparatus. (author)

Adsorption of water and butanol in silicalite-1 film studied with in situ attenuated total reflectance-Fourier transform infrared spectroscopy.

Science.gov (United States)

Farzaneh, Amirfarrokh; Zhou, Ming; Potapova, Elisaveta; Bacsik, Zoltán; Ohlin, Lindsay; Holmgren, Allan; Hedlund, Jonas; Grahn, Mattias

2015-05-05

Biobutanol produced by, e.g., acetone-butanol-ethanol (ABE) fermentation is a promising alternative to petroleum-based chemicals as, e.g., solvent and fuel. Recovery of butanol from dilute fermentation broths by hydrophobic membranes and adsorbents has been identified as a promising route. In this work, the adsorption of water and butanol vapor in a silicalite-1 film was studied using in situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy to better understand the adsorption properties of silicalite-1 membranes and adsorbents. Single-component adsorption isotherms were determined in the temperature range of 35-120 °C, and the Langmuir model was successfully fitted to the experimental data. The adsorption of butanol is very favorable compared to that of water. When the silicalite-1 film was exposed to a butanol/water vapor mixture with 15 mol % butanol (which is the vapor composition of an aqueous solution containing 2 wt % butanol, a typical concentration in an ABE fermentation broth, i.e., the composition of the gas obtained from gas stripping of an ABE broth) at 35 °C, the adsorption selectivity toward butanol was as high as 107. These results confirm that silicalite-1 quite selectively adsorbs hydrocarbons from vapor mixtures. To the best of our knowledge, this is the first comprehensive study on the adsorption of water and butanol in silicalite-1 from vapor phase.

Experimental determination of critical data of multi-component mixtures containing potential gasoline additives 2-butanol by a flow-type apparatus

International Nuclear Information System (INIS)

He, Maogang; Xin, Nan; Wang, Chengjie; Liu, Yang; Zhang, Ying; Liu, Xiangyang

2016-01-01

Graphical abstract: Experimental critical pressures of 2-butanol + hexane + heptane system. - Highlights: • Critical properties of six binary systems and two ternary systems were measured. • Six binary systems containing 2-butanol show non-ideal behavior in their T c –x 1 curves. • Non-ideal behavior of mixtures with 2-butanol relies on azeotropy. • Experimental data for binary systems were fitted well with Redlich–Kister equation. • Critical surfaces of ternary systems were plotted using the Cibulka’s expressions. - Abstract: In this work, we used a flow method for measurement of critical properties of six binary mixtures (2-butanol + cyclohexane, 2-butanol + hexane, 2-butanol + heptane, 2-butanol + octane, 2-butanol + nonane and 2-butanol + decane) and two ternary mixtures (2-butanol + hexane + heptane and 2-butanol + octane + decane). The critical properties were determined by observing the disappearance and reappearance of the gas–liquid phase meniscus in a quartz glass tube. The standard uncertainties of temperatures and pressures for both binary and ternary mixtures were estimated to be less than 0.2 K and 5.2 kPa, respectively. These critical data provide the boundaries of the two-phase regions of the related mixture systems. Six binary systems show non-ideal behaviors in the loci of critical temperatures. We used the Redlich–Kister equations to correlate the critical temperatures and pressures of these systems and listed the binary interaction parameters. The maximum average absolute deviation (AAD) of each binary system between experimental data and calculated results from Redlich–Kister equations is 0.038% for critical temperatures, and 0.244% for critical pressures. Moreover, the two ternary systems were newly reported and correlated by Cibulka’s and Singh’s expressions. The maximum AAD of critical temperatures and critical pressures are 0.103% and 0.433%, respectively.

Alcohol sensing over O+E+S+C+L+U transmission band based on porous cored octagonal photonic crystal fiber

Science.gov (United States)

Paul, Bikash Kumar; Islam, Md. Shadidul; Ahmed, Kawsar; Asaduzzaman, Sayed

2017-06-01

A micro structure porous cored octagonal photonic crystal fiber (P-OPCF) has been proposed to sense aqueous analysts (alcohol series) over a wavelength range of 0.80 μm to 2.0 μm. By implementing a full vectorial finite element method (FEM), the numerical simulation on the proposed O-PCF has been analyzed. Numerical investigation shows that high sensitivity can be gained by changing the structural parameters. The obtained result shows the sensitivities of 66.78%, 67.66%, 68.34%, 68.72%, and 69.09%, and the confinement losses of 2.42×10-10 dB/m, 3.28×10-11 dB/m, 1.21×10-6 dB/m, 4.79×10-10 dB/m, and 4.99×10-9 dB/m at the 1.33 μm wavelength for methanol, ethanol, propanol, butanol, and pentanol, respectively can satisfy the condition of much legibility to install an optical system. The effects of the varying core and cladding diameters, pitch distance, operating wavelength, and effective refractive index are also reported here. It reflects that a significant sensitivity and low confinement loss can be achieved by the proposed P-OPCF. The proposed P-OPCF also covers the wavelength band (O+E+S+C+L+U). The investigation also exhibits that the sensitivity increases when the wavelength increases like S O-bandsensor.

Isolation of butanol- and isobutanol-tolerant bacteria and physiological characterization of their butanol tolerance.

Science.gov (United States)

Kanno, Manabu; Katayama, Taiki; Tamaki, Hideyuki; Mitani, Yasuo; Meng, Xian-Ying; Hori, Tomoyuki; Narihiro, Takashi; Morita, Naoki; Hoshino, Tamotsu; Yumoto, Isao; Kimura, Nobutada; Hanada, Satoshi; Kamagata, Yoichi

2013-11-01

Despite their importance as a biofuel production platform, only a very limited number of butanol-tolerant bacteria have been identified thus far. Here, we extensively explored butanol- and isobutanol-tolerant bacteria from various environmental samples. A total of 16 aerobic and anaerobic bacteria that could tolerate greater than 2.0% (vol/vol) butanol and isobutanol were isolated. A 16S rRNA gene sequencing analysis revealed that the isolates were phylogenetically distributed over at least nine genera: Bacillus, Lysinibacillus, Rummeliibacillus, Brevibacillus, Coprothermobacter, Caloribacterium, Enterococcus, Hydrogenoanaerobacterium, and Cellulosimicrobium, within the phyla Firmicutes and Actinobacteria. Ten of the isolates were phylogenetically distinct from previously identified butanol-tolerant bacteria. Two relatively highly butanol-tolerant strains CM4A (aerobe) and GK12 (obligate anaerobe) were characterized further. Both strains changed their membrane fatty acid composition in response to butanol exposure, i.e., CM4A and GK12 exhibited increased saturated and cyclopropane fatty acids (CFAs) and long-chain fatty acids, respectively, which may serve to maintain membrane fluidity. The gene (cfa) encoding CFA synthase was cloned from strain CM4A and expressed in Escherichia coli. The recombinant E. coli showed relatively higher butanol and isobutanol tolerance than E. coli without the cfa gene, suggesting that cfa can confer solvent tolerance. The exposure of strain GK12 to butanol by consecutive passages even enhanced the growth rate, indicating that yet-unknown mechanisms may also contribute to solvent tolerance. Taken together, the results demonstrate that a wide variety of butanol- and isobutanol-tolerant bacteria that can grow in 2.0% butanol exist in the environment and have various strategies to maintain structural integrity against detrimental solvents.

Direct Visualization of 2-Butanol Adsorption and Dissociation on TiO2(110)

International Nuclear Information System (INIS)

Zhang, Zhenrong; Bondarchuk, Olexsandr; Kay, Bruce D.; White, J. M.; Dohnalek, Zdenek

2007-01-01

Atomically resolved scanning tunneling microscopy (STM) images of identical regions of a TiO2(110) surface were gathered before and after controlled doses of 2-butanol (CH3CH2CH(OH)CH3) at ambient temperature (∼300 K). When dosing is initiated, 2-butanol preferentially adsorbs at bridge-bonded oxygen vacancy (BBOv) sites and dissociates via O-H, not C-O, bond scission to form paired 2-butoxy and hydroxyl species evidenced by two local maxima in STM line profiles. The measured separation is 0.4 nm, slightly larger than the measured separation (0.3 nm) between neighboring bridge-bonded oxygen anions in the surface unit cell of TiO2(110). As the dose increases, but before all the BBOv are occupied, there is direct STM evidence of hydroxyl proton hopping to an adjacent oxygen anion row. This process is facilitated by species bound to 5-coordinate Ti4+ rows, presumably undissociated 2-butanol, that hop slowly compared the STM imaging time scale. The backbones of these mobile species are centered over the Ti4+ rows with preference for lying parallel to these rows. On the other hand, the carbon backbones of the 2-butoxy species that fill BBOv's are centered over the O2- rows and prefer an orientation perpendicular to these rows. As the oxygen vacancy concentration increases from 0.4 to 11% and 2-butanol is dosed the ratio of mobile species to 2-butoxy species decreases for doses that do not fill all the BBOv

Conceptual design of heterogeneous azeotropic distillation process for ethanol dehydration using 1-butanol as entrainer

OpenAIRE

Paritta Prayoonyong

2014-01-01

The synthesis of a heterogeneous azeotropic distillation process for ethanol dehydration using 1-butanol as entrainer is presented. The residue curve map of the ethanol/water/1-butanol mixture is computationally generated using non-random twoliquid thermodynamic model. It is found that 1-butanol leads to a residue curve map topological structure different from that generated by typical entrainers used in ethanol dehydration. Synthesis...

Prospects and challenges for the recovery of 2-butanol produced by vacuum fermentation - a techno-economic analysis.

Science.gov (United States)

Pereira, Joana P C; Lopez-Gomez, Gustavo; Reyes, Noelia G; van der Wielen, Luuk A M; Straathof, Adrie J J

2017-07-01

The conceptual design of a bio-based process for 2-butanol production is presented for the first time. Considering a hypothetical efficient producing strain, a vacuum fermentation is proposed to alleviate product toxicity, but the main challenge is the energy-efficient product recovery from the vapor. Three downstream scenarios were examined for this purpose: 1) multi-stage vapor recompression; 2) temperature swing adsorption; and 3) vapor absorption. The processes were simulated using Aspen Plus, considering a production capacity of 101 kton/yr. Process optimization was performed targeting the minimum selling price of 2-butanol. The feasibility of the different configurations was analyzed based on the global energy requirements and capital expenditure. The use of integrated adsorption and absorption minimized the energy duty required for azeotrope purification, which represents 11% of the total operational expenditure in Scenario 1. The minimum selling price of 2-butanol as commodity chemical was estimated as 1.05 $/kg, 1.21 $/kg, and 1.03 $/kg regarding the fermentation integrated with downstream scenarios 1), 2), and 3), respectively. Significant savings in 2-butanol production could be achieved in the suggested integrated configurations if more efficient microbial strains were engineered, and more selective adsorption and absorption materials were found for product recovery. Copyright © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

Energy Technology Data Exchange (ETDEWEB)

Putra, Edy Giri Rachman [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Patriati, Arum [Neutron Scattering Laboratory, National Nuclear Energy Agency of Indonesia (BATAN), Gedung 40 BATAN, Kawasan Puspiptek Serpong, Tangerang 15314 (Indonesia); Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Gadjah Mada, Bulaksumur, Yogyakarta 55281, Indonesia giri@batan.go.id (Indonesia)

2015-04-16

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations.

Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

International Nuclear Information System (INIS)

Putra, Edy Giri Rachman; Patriati, Arum

2015-01-01

Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations

Binding of the sphingolipid S1P to hTERT stabilizes telomerase at the nuclear periphery by allosterically mimicking protein phosphorylation†

Science.gov (United States)

Selvam, Shanmugam P.; De Palma, Ryan M.; Oaks, Joshua J.; Oleinik, Natalia; Peterson, Yuri K.; Stahelin, Robert V.; Skordalakes, Emmanuel; Ponnusamy, Suriyan; Garrett-Mayer, Elizabeth; Smith, Charles D.; Ogretmen, Besim

2015-01-01

During DNA replication, the enzyme telomerase maintains the ends of chromosomes, called telomeres. Shortened telomeres trigger cell senescence, and cancer cells often have increased telomerase activity to promote their ability to proliferate indefinitely. The catalytic subunit, human telomerase reverse transcriptase (hTERT), is stabilized by phosphorylation. Here, we found that the lysophospholipid sphingosine 1-phosphate (S1P), generated by sphingosine kinase 2 (SK2), bound hTERT at the nuclear periphery in human and mouse fibroblasts. Docking predictions and mutational analyses revealed that binding occurred between a hydroxyl group (C′3-OH) in S1P and Asp684 in hTERT. Inhibiting or depleting SK2 or mutating the S1P binding site decreased the stability of hTERT in cultured cells and promoted senescence and loss of telomere integrity. S1P binding inhibited the interaction of hTERT with MKRN1, an E3 ubiquitin ligase that tags hTERT for degradation. Murine Lewis lung carcinoma (LLC) cells formed smaller tumors in mice lacking SK2 than in wild-type mice, and knocking down SK2 in LLC cells before implantation into mice suppressed their growth. Pharmacologically inhibiting SK2 decreased the growth of subcutaneous A549 lung cancer cell-derived xenografts in mice, and expression of wild-type hTERT, but not an S1P-binding mutant, restored tumor growth. Thus, our data suggest that S1P binding to hTERT allosterically mimicks phosphorylation, promoting telomerase stability and hence telomere maintenance, cell proliferation, and tumor growth PMID:26082434

Demonstration Results of Phytoremediation of Explosives-Contaminated Groundwater Using Constructed Wetlands At The Milan Army Ammunition Plant, Milan, Tennessee Volume IV.

Science.gov (United States)

1998-12-01

Bromoform Bromomethane iso -Butanol n-Butanol 2-Butanone n-Butylbenzene sec-Butylbenzene tert-Butylbenzene Carbon disulfide Carbon tetrachloride...1994 TABLE 10 DIRECT INJECTION .ANALYSIS OF NEW OIL AT 5 PPM Compound Acetone Benzene n-Butanol*,** iso -Butanol*,** Carbon tetrachlorid Carbon...Sediment 48.0 48.0 2977 16.2 Autocl.sediment 53.7 2.7 15.7 11.0 83.1 12755 16.2 Gravel 53.1 6.8 7.8 8.7 76.4 8583 16.2 Autocl.gravel 11.0 7.7

Contact allergy to 2-hydroxy-5-tert-butyl benzylalcohol and 2,6-bis(hydroxymethyl)-4-tert-butylphenol, components of a phenolic resin used in marking pens

DEFF Research Database (Denmark)

Hagdrup, H; Egsgaard, H; Carlsen, L

1994-01-01

2-hydroxy-5-tert-butyl benzylalcohol and 2,6-bis(hydroxymethyl)-4-tert-butylphenol were identified as contact allergens in a phenolic resin used as a tackifier in the ink of a marking pen, which, after being used directly on the skin, caused an acute contact dermatitis on the hand of a 13-year...

Crystal structure of 2-tert-butyl-1,3-thiazolo[4,5-b]pyridine

Directory of Open Access Journals (Sweden)

Gamal A. El-Hiti

2014-09-01

Full Text Available The title compound, C10H12N2S, does not contain any strong hydrogen-bond donors but two long C—H...N contacts are observed in the crystal structure, with the most linear interaction linking molecules along [010]. The ellipsoids of the tert-butyl group indicate large librational motion.

Elucidating the contributions of multiple aldehyde/alcohol dehydrogenases to butanol and ethanol production in Clostridium acetobutylicum.

Science.gov (United States)

Dai, Zongjie; Dong, Hongjun; Zhang, Yanping; Li, Yin

2016-06-20

Ethanol and butanol biosynthesis in Clostridium acetobutylicum share common aldehyde/alcohol dehydrogenases. However, little is known about the relative contributions of these multiple dehydrogenases to ethanol and butanol production respectively. The contributions of six aldehyde/alcohol dehydrogenases of C. acetobutylicum on butanol and ethanol production were evaluated through inactivation of the corresponding genes respectively. For butanol production, the relative contributions from these enzymes were: AdhE1 > BdhB > BdhA ≈ YqhD > SMB_P058 > AdhE2. For ethanol production, the contributions were: AdhE1 > BdhB > YqhD > SMB_P058 > AdhE2 > BdhA. AdhE1 and BdhB are two essential enzymes for butanol and ethanol production. AdhE1 was relatively specific for butanol production over ethanol, while BdhB, YqhD, and SMB_P058 favor ethanol production over butanol. Butanol synthesis was increased in the adhE2 mutant, which had a higher butanol/ethanol ratio (8.15:1) compared with wild type strain (6.65:1). Both the SMB_P058 mutant and yqhD mutant produced less ethanol without loss of butanol formation, which led to higher butanol/ethanol ratio, 10.12:1 and 10.17:1, respectively. To engineer a more efficient butanol-producing strain, adhE1 could be overexpressed, furthermore, adhE2, SMB_P058, yqhD are promising gene inactivation targets. This work provides useful information guiding future strain improvement for butanol production.

Di-tert-butyl N-[2,6-bis(methoxymethoxyphenyl]iminodiacetate

Directory of Open Access Journals (Sweden)

Ben Capuano

2009-04-01

Full Text Available The title molecule, C20H31NO8, has pseudo-C2 symmetry about the C—N bond, with the bis(tert-butoxycarbonylamino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxycarbonyl (Boc groups are orientated away from the substituted aniline group. As part of an antibacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.

Preclinical pharmacology and toxicology study of Ad-hTERT-E1a-Apoptin, a novel dual cancer-specific oncolytic adenovirus

International Nuclear Information System (INIS)

Qi, Yanxin; Guo, Huanhuan; Hu, Ningning; He, Dongyun; Zhang, Shi; Chu, Yunjie; Huang, Yubin; Li, Xiao; Sun, LiLi; Jin, Ningyi

2014-01-01

Clinical studies have demonstrated that conditionally replicating adenovirus is safe. We constructed an oncolytic adenovirus, Ad-hTERT-E1a-Apoptin, using a cancer-specific promoter (human telomerase reverse transcriptase promoter, hTERTp) and a cancer cell-selective apoptosis-inducing gene (Apoptin). Ad-hTERT-E1a-Apoptin was proven effective both in vitro and in vivo in our previous study. In this study, the preclinical safety profiles of Ad-hTERT-E1a-Apoptin in animal models were investigated. At doses of 5.0 × 10 8 , 2.5 × 10 9 , and 1.25 × 10 10 viral particles (VP)/kg, Ad-hTERT-E1a-Apoptin had no adverse effects on mouse behavior, muscle cooperation, sedative effect, digestive system, and nervous systems, or on beagle cardiovascular and respiratory systems at 5.0 × 10 8 , 2.5 × 10 9 , and 1.25 × 10 10 VP/kg doses. In acute toxicity tests in mice, the maximum tolerated dose > 5 × 10 10 VP/kg. There was no inflammation or ulceration at the injection sites within two weeks. In repeat-dose toxicological studies, the no observable adverse effect levels of Ad-hTERT-E1a-Apoptin in rats (1.25 × 10 10 VP/kg) and beagles (2.5 × 10 9 VP/kg) were 62.5- and 12.5-fold of the proposed clinical dose, respectively. The anti-virus antibody was produced in animal sera. Bone marrow examination revealed no histopathological changes. Guinea pigs sensitized by three repeated intraperitoneal injections of 1.35 × 10 10 VP/mL Ad-hTERT-E1a-Apoptin each and challenged by one intravenous injection of 1.67 × 10 8 VP/kg Ad-hTERT-E1a-Apoptin did not exhibit any sign of systemic anaphylaxis. Our data from different animal models suggest that Ad-hTERT-E1a-Apoptin is a safe anti-tumor therapeutic agent. - Highlights: • We use the rodents and non-rodents animal models to evaluation Ad-hTERT-E1a-Apoptin. • Ad-hTERT-E1a-Apoptin is a safe anti-tumor therapeutic agent. • Demonstrate the safety and feasibility dose of injected Ad-hTERT-E1a-Apoptin

Preclinical pharmacology and toxicology study of Ad-hTERT-E1a-Apoptin, a novel dual cancer-specific oncolytic adenovirus

Energy Technology Data Exchange (ETDEWEB)

Qi, Yanxin [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); Guo, Huanhuan [Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); Changchun Brother Biotech Co., Ltd., Changchun, 130000 (China); Hu, Ningning; He, Dongyun [Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); The Key Laboratory of Jilin Province for Zoonosis Prevention and Control, Changchun 130122 (China); Zhang, Shi [Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); School of Clinical Medicine, Jilin University, Changchun 130001 (China); Chu, Yunjie [Affiliated Hospital of Changchun University of Traditional Chinese Medicine, Changchun 130021 (China); Huang, Yubin [State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); Li, Xiao, E-mail: lixiao06@mails.jlu.edu.cn [Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); The Key Laboratory of Jilin Province for Zoonosis Prevention and Control, Changchun 130122 (China); Sun, LiLi, E-mail: linjiaxiaoya@163.com [Department of Head and Neck Surgery, Tumor Hospital of Jilin Province, Changchun 130012 (China); Jin, Ningyi, E-mail: ningyij@126.com [Institute of Military Veterinary, Academy of Military Medical Sciences of PLA, Changchun 130122 (China); The Key Laboratory of Jilin Province for Zoonosis Prevention and Control, Changchun 130122 (China)

2014-10-15

Clinical studies have demonstrated that conditionally replicating adenovirus is safe. We constructed an oncolytic adenovirus, Ad-hTERT-E1a-Apoptin, using a cancer-specific promoter (human telomerase reverse transcriptase promoter, hTERTp) and a cancer cell-selective apoptosis-inducing gene (Apoptin). Ad-hTERT-E1a-Apoptin was proven effective both in vitro and in vivo in our previous study. In this study, the preclinical safety profiles of Ad-hTERT-E1a-Apoptin in animal models were investigated. At doses of 5.0 × 10{sup 8}, 2.5 × 10{sup 9}, and 1.25 × 10{sup 10} viral particles (VP)/kg, Ad-hTERT-E1a-Apoptin had no adverse effects on mouse behavior, muscle cooperation, sedative effect, digestive system, and nervous systems, or on beagle cardiovascular and respiratory systems at 5.0 × 10{sup 8}, 2.5 × 10{sup 9}, and 1.25 × 10{sup 10} VP/kg doses. In acute toxicity tests in mice, the maximum tolerated dose > 5 × 10{sup 10} VP/kg. There was no inflammation or ulceration at the injection sites within two weeks. In repeat-dose toxicological studies, the no observable adverse effect levels of Ad-hTERT-E1a-Apoptin in rats (1.25 × 10{sup 10} VP/kg) and beagles (2.5 × 10{sup 9} VP/kg) were 62.5- and 12.5-fold of the proposed clinical dose, respectively. The anti-virus antibody was produced in animal sera. Bone marrow examination revealed no histopathological changes. Guinea pigs sensitized by three repeated intraperitoneal injections of 1.35 × 10{sup 10} VP/mL Ad-hTERT-E1a-Apoptin each and challenged by one intravenous injection of 1.67 × 10{sup 8} VP/kg Ad-hTERT-E1a-Apoptin did not exhibit any sign of systemic anaphylaxis. Our data from different animal models suggest that Ad-hTERT-E1a-Apoptin is a safe anti-tumor therapeutic agent. - Highlights: • We use the rodents and non-rodents animal models to evaluation Ad-hTERT-E1a-Apoptin. • Ad-hTERT-E1a-Apoptin is a safe anti-tumor therapeutic agent. • Demonstrate the safety and feasibility dose of injected Ad-hTERT

Chlorotrimethylsilane, a reagent for the direct quantitative analysis of fats and oils present in vegetable and meat samples.

Science.gov (United States)

Eras, Jordi; Ferran, Javier; Perpiña, Belén; Canela, Ramon

2004-08-20

Acylglycerides present in oil seeds and meat can be transformed into volatile fatty esters using chlorotrimethylsilane (CTMS) and 1-pentanol as reagents. The volatile esters can then be analysed by GC. The method is quantitative and involves only minor sample manipulation. It often permits major recoveries of the total saponifiable lipids present in solid samples. A 40 min reaction time is enough to ensure the total conversion of saponifiable lipids to the corresponding FAPEs.

Triptolide inhibits transcription of hTERT through down-regulation of transcription factor specificity protein 1 in primary effusion lymphoma cells

Energy Technology Data Exchange (ETDEWEB)

Long, Cong; Wang, Jingchao [Department of Pathogen Biology, School of Basic Medical Sciences, Wuhan University, Wuhan, 430071 (China); Guo, Wei [Department of Pathology and Physiology, School of Basic Medical Sciences, Wuhan University, Wuhan, 430071 (China); Wang, Huan; Wang, Chao; Liu, Yu [Department of Pathogen Biology, School of Basic Medical Sciences, Wuhan University, Wuhan, 430071 (China); Sun, Xiaoping, E-mail: xsun6@whu.edu.cn [Department of Pathogen Biology, School of Basic Medical Sciences, Wuhan University, Wuhan, 430071 (China); State Key Laboratory of Virology, Wuhan University, Wuhan, 430072 (China)

2016-01-01

Primary effusion lymphoma (PEL) is a rare and aggressive non-Hodgkin's lymphoma. Human telomerase reverse transcriptase (hTERT), a key component responsible for the regulation of telomerase activity, plays important roles in cellular immortalization and cancer development. Triptolide purified from Tripterygium extracts displays a broad-spectrum bioactivity profile, including immunosuppressive, anti-inflammatory, and anti-tumor. In this study, it is investigated whether triptolide reduces hTERT expression and suppresses its activity in PEL cells. The mRNA and protein levels of hTERT were examined by real time-PCR and Western blotting, respectively. The activity of hTERT promoter was determined by Dual luciferase reporter assay. Our results demonstrated that triptolide decreased expression of hTERT at both mRNA and protein levels. Further gene sequence analysis indicated that the activity of hTERT promoter was suppressed by triptolide. Triptolide also reduced the half-time of hTERT. Additionally, triptolide inhibited the expression of transcription factor specificity protein 1(Sp1) in PEL cells. Furthermore, knock-down of Sp1 by using specific shRNAs resulted in down-regulation of hTERT transcription and protein expression levels. Inhibition of Sp1 by specific shRNAs enhanced triptolide-induced cell growth inhibition and apoptosis. Collectively, our results demonstrate that the inhibitory effect of triptolide on hTERT transcription is possibly mediated by inhibition of transcription factor Sp1 in PEL cells. - Highlights: • Triptolide reduces expression of hTERT by decreasing its transcription level. • Triptolide reduces promoter activity and stability of hTERT. • Triptolide down-regulates expression of Sp1. • Special Sp1 shRNAs inhibit transcription and protein expression of hTERT. • Triptolide and Sp1 shRNA2 induce cell proliferation inhibition and apoptosis.

Butanol Production from Leftover Beverages and Sport Drinks

NARCIS (Netherlands)

Raganati, Francesca; Procentese, Alessandra; Montagnaro, Fabio; Olivieri, Giuseppe; Marzocchella, Antonio

2015-01-01

The aim of this paper is twofold: (1) to identify an alternative disposal process for the industry of high-sugar-content beverages (HSCBs) and (2) to contribute to the study of butanol production from non-edible feedstocks. HSCBs were used as a renewable feedstock to produce butanol by

Ultrasonic study of molecular interaction in binary liquid mixtures at ...

Indian Academy of Sciences (India)

of alcohols in preparing a number of compounds like aldehydes, ketones, ... ometer (Mittal Enterprises, New Delhi, Model: M-82) operating at 2 MHz by the method ... 1-butanol and tert-butanol obtained were 876.4, 801.7 and 776.2 kg m 3, ...

Deuterium isotopic effects connected with unimolecular and concerted mechanisms. The case of 1-deutero-2-chloro alcohols; Effets isotopiques du deuterium attaches a des mecanismes unimoleculaires et concertes. Cas des deutero-1-chloro-2 alcools

Energy Technology Data Exchange (ETDEWEB)

Jambon, C

1962-07-01

After a bibliographic analysis of the probable causes of isotopic effects and their comparison, with the simplifications provided by the athermal model, a discussion of the isotopic effect of deuterium in organic molecules in terms of structural influences is presented, showing the important role of the C-D bond length which is shorter than the C-H bond length, and of the D atom's Van der Waals radius, shorter than that of the H atom. Kinetic measurements were carried out on some reactions involving the mechanisms proposed: unimolecular ionizations and halogen concentrates. The structural models chosen are: 2-chloro-cyclo-hexanols cis and trans 1-H and 2-D; 2-chloro-cyclo-pentanols cis trans 1-H and 1-D; 1-phenyl-l-chloro-2-propanol threo 2-H and 2-D. (author) [French] Apres une analyse bibliographique des causes probables d'effets isotopiques et leur comparaison, avec les simplifications qu'apporte le modele athermique, on a entrepris l'etude de la discussion isotopique du deuterium dans des molecules organiques en termes d'influences structurelles, cherchant a degager le role important de la longueur de la liaison C-D plus courte que C-H, et du rayon de Van der Waals de l'atome de D plus petit que celui de H. On a effectue des mesures cinetiques sur quelques reactions invoquant les mecanismes envisages: ionisations unimoleculaires et concentrees d'halogenes. Les modeles structuraux choisis sont: chloro 2 - cyclohexanols cis et trans H 1 et D 1; chloro 2 - cyclopentanols cis et trans H 1 et D 1; phenyl 1 - chloro 1 - propanol 2 threo H 2 et D 2. (auteur)

Deuterium isotopic effects connected with unimolecular and concerted mechanisms. The case of 1-deutero-2-chloro alcohols; Effets isotopiques du deuterium attaches a des mecanismes unimoleculaires et concertes. Cas des deutero-1-chloro-2 alcools

Energy Technology Data Exchange (ETDEWEB)

Jambon, C

1962-07-01

After a bibliographic analysis of the probable causes of isotopic effects and their comparison, with the simplifications provided by the athermal model, a discussion of the isotopic effect of deuterium in organic molecules in terms of structural influences is presented, showing the important role of the C-D bond length which is shorter than the C-H bond length, and of the D atom's Van der Waals radius, shorter than that of the H atom. Kinetic measurements were carried out on some reactions involving the mechanisms proposed: unimolecular ionizations and halogen concentrates. The structural models chosen are: 2-chloro-cyclo-hexanols cis and trans 1-H and 2-D; 2-chloro-cyclo-pentanols cis trans 1-H and 1-D; 1-phenyl-l-chloro-2-propanol threo 2-H and 2-D. (author) [French] Apres une analyse bibliographique des causes probables d'effets isotopiques et leur comparaison, avec les simplifications qu'apporte le modele athermique, on a entrepris l'etude de la discussion isotopique du deuterium dans des molecules organiques en termes d'influences structurelles, cherchant a degager le role important de la longueur de la liaison C-D plus courte que C-H, et du rayon de Van der Waals de l'atome de D plus petit que celui de H. On a effectue des mesures cinetiques sur quelques reactions invoquant les mecanismes envisages: ionisations unimoleculaires et concentrees d'halogenes. Les modeles structuraux choisis sont: chloro 2 - cyclohexanols cis et trans H 1 et D 1; chloro 2 - cyclopentanols cis et trans H 1 et D 1; phenyl 1 - chloro 1 - propanol 2 threo H 2 et D 2. (auteur)

CARACTERIZACIÓN TERMODINÁMICA PARA SISTEMAS DE ESTERIFICACIÓN HETEROGÉNEOS EN DESTILACIÓN REACTIVA: I. ENVOLVENTES REACTIVAS

Directory of Open Access Journals (Sweden)

César Augusto Sánchez Correa

Full Text Available Se presenta en este trabajo un enfoque novedoso para el cálculo de las envolventes reactivas líquido - líquido - vapor (LLV y líquido - líquido (LL. El principal aporte consiste en indicar explícitamente las manipulaciones necesarias para transformar el cálculo de las binodales en uno de homotopía termodinámica. Así, la solución del problema se traslada a la teoría de los métodos de continuación. Esta perspectiva proporciona adicionalmente un procedimiento para localizar el punto crítico de las mezclas reactivas. Se analizaron dos casos de interés industrial: las binodales reactivas LLV a 101,325 kPa para los sistemas ácido acético + 1-pentanol + agua + n-amilacetato y ácido acético + 3-metil-1-butanol + agua + isoamilacetato. Se encontró que ellas son semejantes a las binodales del tipo I en sistemas ternarios no reactivos. Para el caso del n-amilacetato se ejemplifica la utilidad de estas envolventes en el cálculo y análisis gráfico de un rectificador con varios platos heterogéneos.

Study of an aquifer contaminated by ethyl tert-butyl ether (ETBE): Site characterization and on-site bioremediation

International Nuclear Information System (INIS)

Fayolle-Guichard, Françoise; Durand, Jonathan; Cheucle, Mathilde; Rosell, Mònica; Michelland, Rory Julien; Tracol, Jean-Philippe; Le Roux, Françoise; Grundman, Geneviève; Atteia, Olivier; Richnow, Hans H.; Dumestre, Alain

2012-01-01

Highlights: ► Ethyl tert-butyl ether (ETBE) (>300 mg L −1 ) found in a groundwater (gas-station). ► No significant carbon or hydrogen isotopic fractionation of ETBE along the plume. ► MC-IFP culture degraded ETBE (0.91 mg L −1 h −1 ) and BTEX (0.64 mg L −1 h −1 ). ► A pilot plant (2 m 3 ) inoculated with MC-IFP degraded ETBE in groundwater (15 °C). ► ethB gene (ETBE biodegradation) amplified during bioaugmentation (5 × 10 6 ethB gene copies L −1 ). - Abstract: Ethyl tert-butyl ether (ETBE) was detected at high concentration (300 mg L −1 ) in the groundwater below a gas-station. No significant carbon neither hydrogen isotopic fractionation of ETBE was detected along the plume. ETBE and BTEX biodegradation capacities of the indigenous microflora Pz1-ETBE and of a culture (MC-IFP) composed of Rhodococcus wratislaviensis IFP 2016, Rhodococcus aetherivorans IFP 2017 and Aquincola tertiaricarbonis IFP 2003 showed that ETBE and BTEX degradation rates were in the same range (ETBE: 0.91 and 0.83 mg L −1 h −1 and BTEX: 0.64 and 0.82 mg L −1 h −1 , respectively) but tert-butanol (TBA) accumulated transiently at a high level using Pz1-ETBE (74 mg L −1 ). An on-site pilot plant (2 m 3 ) filled with polluted groundwater and inoculated by MC-IFP, successfully degraded four successive additions of ETBE and gasoline. However, an insignificant ETBE isotopic fractionation was also accompanying this decrease which suggested the involvement of low fractionating-strains using EthB enzymes, but required of additional proofs. The ethB gene encoding a cytochrome P450 involved in ETBE biodegradation (present in R. aetherivorans IFP 2017) was monitored by quantitative real-time polymerase chain reaction (q-PCR) on DNA extracted from water sampled in the pilot plant which yield up to 5 × 10 6 copies of ethB gene per L −1 .

Excess enthalpies of ternary mixtures of oxygenated additives + hydrocarbon mixtures in fuels and bio-fuels: Dibutyl ether (DBE) and 1-butanol and 1-hexene or cyclohexane or 2,2,4 trimethylpentane at 298.15 K and 313.15 K

International Nuclear Information System (INIS)

Aguilar, Fernando; Alaoui, Fatima E.M.; Segovia, José J.; Montero, Eduardo A.

2013-01-01

Highlights: ► New excess enthalpy data for ternary mixtures of dibutyl ether + hydrocarbon + 1-butanol are reported. ► Four ternary systems at 298.15 K and 313.15 K were measured by means of an isothermal flow calorimeter. ► 420 Data were fitted to a Redlich–Kister rational equation. ► Intermolecular and association effects involved in these systems have been discussed. - Abstract: New experimental excess molar enthalpy data (420 points) of the ternary systems dibutyl ether (DBE) and 1-butanol and 1-hexene at 298.15 K and 313.15 K, and DBE and 1-butanol and cyclohexane or 2,2,4-trimethylpentane (TMP) at 313.15 K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the ternary systems show endothermic character. The experimental data for the ternary systems have been fitted using the Redlich–Kister rational equation. Considerations with respect the intermolecular interactions amongst ether, alcohol and hydrocarbon compounds are presented.

Study of molecular interactions in the mixtures of some primary alcohols with equimolar mixture of 1-propanol and alkylbenzoates at T = 303.15 K

International Nuclear Information System (INIS)

Sreehari Sastry, S.; Babu, Shaik; Vishwam, T.; Sie Tiong, Ha

2014-01-01

Highlights: • Study of molecular interactions between hydrogen bonded liquid mixtures of alcohols and alkylbenzoates. • Liquids mixtures of some primary alcohols with equimolar mixture of 1-propanol and alkylbenzoates are considered. • Speed of sound, density and viscosity are experimentally determined. • Excess values of different thermo-acoustic parameters are calculated and discussed. • Experimental and theoretical results are compared for speed of sound and viscosity models. -- Abstract: Speed of sound (U), density (ρ) and viscosity (η) values for the equimolar mixtures of (methyl benzoate + 1-propanol) and (ethyl benzoate + 1-propanol) with 1-butanol/1-pentanol including those of pure liquids were measured over the entire mole fraction range at T = 303.15 K. Using these experimentally determined values, various thermo-acoustic parameters such as excess isentropic compressibility (K s E ), excess molar volume (V E ) and excess free length (L f E ), excess Gibbs free energy (ΔG ∗E ) and excess enthalpy (H E ) have been calculated. The excess functions have been fitted to the Redlich–Kister type polynomial equation. The deviations for excess thermo-acoustic parameters have been explained on the basis of the intermolecular interactions present in these binary mixtures. The experimentally determined values of speed of sound have been used to check the applicability of different speed of sound models of Nomoto, Impedance relation, Van Dael and Vangeel, Junjie’s, free length theory and Rao’s relation. Viscosity results have been used to test the applicability of standard viscosity models of Grunberg–Nissan, Hind–Mc Laughlin, Katti–Chaudhary, Heric and Brewer, Frenkel and Tamura and Kurata at various temperatures for the binary liquid systems under study

Production of n-butanol from whey filtrate using Clostridium acetobutylicum NCIB 2951

Energy Technology Data Exchange (ETDEWEB)

Maddox, I S

1980-01-01

Production of the important solvent n-butanol by traditional fermentation of corn mash or molasses by Clostridium acetobutylicum produces a mixed end product in the ratio butanol:acetone:ethanol 6:3:1. Laboratory experiments have shown that H2SO4 casein whey after ultrafiltration to remove protein (DSA 40, 5658) is a possible substrate for butanol fermentation, which would also reduce a major waste disposal problem. The organism was maintained in the casein whey permeate; inocula were heat-shocked at 70 degrees Celcius for 90 s, followed by incubation at 30 degrees Celcius for 3 days to provide working cultures. Whey permeate supplemented with 0.5% (w/v) yeast extract was adjusted to pH 6.5 with 1 M NH4OH, inoculated with 5% culture and incubated at 30 degrees Celcius. Cell counts were recorded daily, together with residual lactose concentration and production of butyric acid, acetic acid, butanol, acetone and ethanol (determined by GLC). Initially butyric and acetic acids were produced, but after 2 days conversion to butanol and acetone began. Cell growth ceased after 3 days, but conversion continued to reach a maximum yield of butanol after 5 days, in the favourable ratio of butanol:acetone:ethanol of 10:1:1. Inhibition by end products prevented complete utilization of the lactose. Omission of the yeast supplement produced a slower but similar fermentation reaching a butanol yield of 1.3% after 7 days. The ultrafiltration may not be necessary. (Refs. 3).

Iodometric microdetermination of phosphorus in organic compounds by use of An amplification reaction

OpenAIRE

Al Kubaisi, A. H. [عبد الله حسين الكبيسي; Farag, A. B.; Amin, R. R.

1994-01-01

A high chemical amplification method is described for the iodometric microdetermination of phosphorus in organic compounds. This method depends on combustion by the oxygen flask, absorption of the combustion products in distilled water and conversion to orthophosphoric acid with bromine water. The phosphoric acid produced is then allowed to react with sodium molybdate in acid medium to form phosphomolybdic acid which is extracted into a mixture of diethyl ether and pentanol (5:1, V/V), and ba...

Structural Properties of Pure Simple Alcohols from Ethanol, Propanol, Butanol, Pentanol, to Hexanol: Comparing Monte Carlo Simulations with Experimental SAXS Data

Czech Academy of Sciences Publication Activity Database

Tomšič, M.; Jamnik, A.; Fritz-Popovski, G.; Glatter, O.; Vlček, Lukáš

2007-01-01

Roč. 111, č. 7 (2007), s. 1738-1751 ISSN 1520-6106 Institutional research plan: CEZ:AV0Z40720504 Keywords : alcohols * saxs * monte carlo Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.086, year: 2007

2-tert-Butyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

Directory of Open Access Journals (Sweden)

Janina Wobbe

2011-09-01

Full Text Available 2-tert-Butyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole was synthesized by reaction of cycloheptanone and (4-tert-butylphenylhydrazine hydrochloride in the presence of sodium acetate and sulfuric acid in glacial acetic acid via Fischer indole synthesis.

Synthesis, characterization and investigation of the spectroscopic properties of novel peripherally 2,3,5-trimethylphenoxy substituted Cu and Co phthalocyanines, the computational and experimental studies of the 4-(2,3,5-trimethylphenoxyphthalonitrile

Directory of Open Access Journals (Sweden)

Nesuhi Akdemir

2016-11-01

Full Text Available 4-(2,3,5-trimethylphenoxyphthalonitrile (3 was firstly prepared via aromatic nucleophilic substitution reaction and characterized by FT-IR, mass spectrometry, 1H and 13C NMR techniques. The molecular structure of the compound (3 was optimized using Density Functional Theory (DFT/B3LYP method with 6-311G(d,p basis set in the ground state. The molecular geometric parameters which were obtained by X-ray single crystal diffraction method and the spectral results were compared with computed bond lengths and angles, vibrational frequencies and 1H, 13C NMR chemical shifts values of the compound (3. Also, Cu(II and Co(II phthalocyanines were synthesized by the treatment of dinitrile derivative with anhydrous CuCl2 or CoCl2 under N2 atmosphere in dry n-pentanol at 140oC. The new compounds have been determined by elemental analysis, FT-IR and electronic absorption. The UV-Vis spectra of the Cu(II and Co(II phthalocyanines were recorded with different concentration in THF and also with different solvents as DMF, DMSO, DCM, CHCl3, toluene.

Highly Diastereoselective Synthesis of 2-(1-N-Boc-aminoalkyl)thiazole-5-carboxylates by Reduction of tert-Butylsulfinyl Ketimines.

Science.gov (United States)

Magata, Takuji; Hirokawa, Yoshimi; Furokawa, Aya; Takeuchi, Kazuhisa; Ohtomo, Yoshiaki; Kino, Toshitaka; Kominami, Jun; Nakai, Yuto; Kitamura, Maria; Maezaki, Naoyoshi

2018-01-01

Positional isomers of naturally occurring peptide subunits were synthesized via highly diastereoselective reduction of tert-butylsulfinyl ketimines as a key reaction. While NaBH 4 reduction of ketimines derived from 2-thiazolyl ketones afforded the (R S ,R)-isomer with moderate diastereoselectivity, L-Selectride ® reduction afforded the (R S ,S)-isomer as the sole product. In contrast, ketimines derived from tert-butyl 2-thiazolyl ketone afforded the (R S ,R)-isomer with low diastereoselectivity by both NaBH 4 and L-Selectride ® reduction. Stereochemistry of the reaction was discussed based on calculation of the conformational energies for ketimines.

Comparative study of physical properties of binary mixtures of halogen free ionic liquids with alcohols

International Nuclear Information System (INIS)

Alkhaldi, Khaled H.A.E.; Al-Jimaz, Adel S.; AlTuwaim, Mohammad S.

2017-01-01

Highlights: • Physical properties of binary mixtures of halogen free ILs with C 3 , C 4 and C 5 were invetigated. • Densities, refractive indices and speed of sound were measured. • V E , K s E , u D and n D E were calculated using the experimental data. • Speed of sound data were analyzed using different theories and relations. • Different mixing rules were used to predict the experimental refractive indices. - Abstract: Densities, refractive indices and speeds of sound along with their excess or deviation properties for both 1,3-dimethylimidazolium methylsulfate ([dmim][MeSO 4 ]) and 1-ethyl-3-methylimidazolium methylsulfate ([emim][MeSO 4 ]) with 1-propanol, 1-butanol and 1-pentanol over the entire range of mole fraction are reported at temperatures ranging from 298.15 K to 313.15 K and atmospheric pressure. Isentropic and excess isentropic compressibilities for both ionic liquids with 1-alcohols were calculated from the experimental results. Excess and deviation properties were further correlated using the Redlich-Kister polynomial. The measured speeds of sound were compared to the values obtained from Schaaffs' collision factor theory, Jacobson's intermolecular free length theory of solutions and Nomoto’s relation. In addition, the experimentally obtained refractive indices were compared to the calculated values using Lorentz-Lorenz, Dale-Gladstone and Eykman mixing rules.

Inhibition of UBE2D3 expression attenuates radiosensitivity of MCF-7 human breast cancer cells by increasing hTERT expression and activity.

Directory of Open Access Journals (Sweden)

Wenbo Wang

Full Text Available The known functions of telomerase in tumor cells include replenishing telomeric DNA and maintaining cell immortality. We have previously shown the existence of a negative correlation between human telomerase reverse transcriptase (hTERT and radiosensitivity in tumor cells. Here we set out to elucidate the molecular mechanisms underlying regulation by telomerase of radiosensitivity in MCF-7 cells. Toward this aim, yeast two-hybrid (Y2H screening of a human laryngeal squamous cell carcinoma radioresistant (Hep2R cDNA library was first performed to search for potential hTERT interacting proteins. We identified ubiquitin-conjugating enzyme E2D3 (UBE2D3 as a principle hTERT-interacting protein and validated this association biochemically. ShRNA-mediated inhibition of UBE2D3 expression attenuated MCF-7 radiosensitivity, and induced the accumulation of hTERT and cyclin D1 in these cells. Moreover, down-regulation of UBE2D3 increased hTERT activity and cell proliferation, accelerating G1 to S phase transition in MCF-7 cells. Collectively these findings suggest that UBE2D3 participates in the process of hTERT-mediated radiosensitivity in human breast cancer MCF-7 cells by regulating hTERT and cyclin D1.

Comparative Autoignition Trends in Butanol Isomers at Elevated Pressure

KAUST Repository

Weber, Bryan W.

2013-03-21

Autoignition experiments of stoichiometric mixtures of s-, t-, and i-butanol in air have been performed using a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar and for compressed temperatures in the range 715-910 K, no evidence of a negative temperature coefficient region in terms of ignition delay response is found. The present experimental results are also compared with previously reported RCM data of n-butanol in air. The order of reactivity of the butanols is n-butanol > s-butanol ≈ i-butanol > t-butanol at the lower pressure but changes to n-butanol > t-butanol > s-butanol > i-butanol at higher pressure. In addition, t-butanol shows preignition heat release behavior, which is especially evident at higher pressures. To help identify the controlling chemistry leading to this preignition heat release, off-stoichiometric experiments are further performed at 30 bar compressed pressure, for t-butanol at φ = 0.5 and φ = 2.0 in air. For these experiments, higher fuel loading (i.e., φ = 2.0) causes greater preignition heat release (as indicated by greater pressure rise) than the stoichiometric or φ = 0.5 cases. Comparison of the experimental ignition delays with the simulated results using two literature kinetic mechanisms shows generally good agreement, and one mechanism is further used to explore and compare the fuel decomposition pathways of butanol isomers. Using this mechanism, the importance of peroxy chemistry in the autoignition of the butanol isomers is highlighted and discussed. © 2013 American Chemical Society.

Characteristics of Butanol Isomers Oxidation in a Micro Flow Reactor

KAUST Repository

Bin Hamzah, Muhamad Firdaus

2017-01-01

Ignition and combustion characteristics of n-butanol/air, 2-butanol.air and isobutanol/air mixtures at stoichiometric (ϕ = 1) and lean (ϕ = 0.5) conditions were investigated in a micro flow reactor with a controlled temperature profile from 323 K

hTERT promoter mediating gene therapy in laryngeal squamous carcinomas cells in vitro

International Nuclear Information System (INIS)

Liao Zhengkai; Zhou Yunfeng; Zhou Fuxiang; Luo Zhiguo; Xiong Jie; Bao Jie; Xie Conghua; Liu Shiquan

2007-01-01

Objective: To investigate the relationship among hTERT promoter activity, hTERT mRNA expression, and telomerase activity (TA) in laryngeal squamous carcinomas cell lines, and to evaluate the usefulness of hTERT promoter mediated gene therapy. Methods: After plasmids pGL3-hTERTp were transfected, hTEBT promoter activity, hTERT mRNA expression and TA were determined by luciferase assay, RT-PCR and TRAP-PCR-ELISA, respectively. Plasmid phTERTp-HRP was constructed and transfected, HRP expression was determined by RT-PCR and competent peroxidase activity was confirmed by enzyme activity assay. The cytotoxicity and radiosensitivity of phTERTp-HRP/IAA were determined by clonogenic assay. Results: The relative levels of hTERT promoter activity, hTERT mRNA expression and TA in Hep2R cells were 1.37-fold, 1.43-fold and 1.81-fold compared with Hep2R cells, hTERT promoter activity was closely associated with hTERT mRNA expression and TA levels (P SF 2 ) was 1.24 (Hep2R cells) and 1.20 (Hep 2cells), the parameter a of with or without IAA incubation were 0.090, 0.020 (Hep2R)and 0.099, 0.042 (Hep2). Conclusions: hTERT promoter is applicable in mediating gene therapy in different radiosensitive laryngeal squamous carcinomas cells. hTERTp-HRP/IAA gene therapy may be a promising supplementary method for radiotherapy of laryngeal squamous-cell carcinomas. (authors)

Di-tert-butyl 2,2′-[(biphenyl-4,4′-diyldioxy]diacetate

Directory of Open Access Journals (Sweden)

Qamar Ali

2010-07-01

Full Text Available The complete molecule of the title compound, C24H30O6, is generated by a crystallographic inversion centre. In the unique part of the molecule, the four-atom –O–CH2–C(= O–O– chain between the benzene ring and the tert-butyl group assumes a zigzag conformation [O—C—C—O torsion angle = −162.3 (1°].

Biocatalytic Synthesis of Flavor Ester “Pentyl Valerate” Using Candida rugosa Lipase Immobilized in Microemulsion Based Organogels: Effect of Parameters and Reusability

Directory of Open Access Journals (Sweden)

Tripti Raghavendra

2014-01-01

Full Text Available Pentyl valerate was synthesized biocatalytically using Candida rugosa lipase (CRL immobilized in microemulsion based organogels (MBGs. The optimum conditions were found to be pH 7.0, temperature of 37°C, ratio of concentration of water to surfactant (Wo of 60, and the surfactant sodium bis-2-(ethylhexylsulfosuccinate (AOT for MBG preparation. Although kinetic studies revealed that the enzyme in free form had high affinity towards substrates (Km = 23.2 mM for pentanol and 76.92 mM for valeric acid whereas, after immobilization, the Km values increased considerably (74.07 mM for pentanol and 83.3 mM for valeric acid resulting in a slower reaction rate, the maximum conversion was much higher in case of immobilized enzyme (~99% as compared to free enzyme (~19%. Simultaneous effects of important parameters were studied using response surface methodology (RSM conjugated with Box-Behnken design (BBD with five variables (process parameters, namely, enzyme concentration, initial water content (Wo, solvent used for MBG preparation, substrate ratio and time, and response as the final product formation, that is, pentyl valerate (%. The MBGs were reused for 10 consecutive cycles for ester synthesis. Efficacy of AOT/isooctane as dehydrating agent for extracting excess water from MBGs was found to exert a positive effect on the esterification reaction.

Assessment of in situ butanol recovery by vacuum during acetone butanol ethanol (ABE) fermentation

Science.gov (United States)

Butanol fermentation is product limiting due to butanol toxicity to microbial cells. Butanol (boiling point: 118 deg C) boils at a greater temperature than water (boiling point: 100 deg C) and application of vacuum technology to integrated acetone-butanol-ethanol (ABE) fermentation and recovery may ...

Vapor-liquid equilibrium data for five binary systems of methanol, tert-butylalcohol, tert-butylmethylether and water, and quaternary reactive system producing tert-butylmethylether from methanol and tert-butylalcohol; Metanoru, tert-buchiruarukoru, tert-buchirumechirueteru oyobi mizu wo kumiawaseta 5shu no niseibunkei to metanoru to tert-buchiruarukoru ni yoru eteruka hannokei no taikiatsuka ni okeru kieki heiko deta

Energy Technology Data Exchange (ETDEWEB)

Komatsu, H.; Nakamura, M.; Yamashita, Y.; Hirai, C. [Toyohashi Univ. of Technology (Japan)

1997-11-01

At atmospheric pressure, vapor-liquid equilibrium relationships for five binary systems of methanol-tert-butylalcohol, methanol-tert-butylmethylether, tert-butylalcohol-tert-butylmethylether, water-tert-butylalcohol and water-tert-butylmethylether are observed. The Wilson parameters for the binary systems have been obtained. Comparisons between the Wilson method, The ASOG method and the UNIFAC method are made. Vapor-liquid equilibrium relationships of the quaternary reactive system producing tert-butylmethylether by use of methanol and tert-butylalcohol are also observed, and it is confirmed that the Wilson parameters resulting from the data of binary systems can be used to estimate the vapor-liquid equilibrium data for the quaternary reactive system of methanol-tert-butylalcohol-tert-butylmethylether-water. 6 refs., 7 figs., 5 tabs.

Hybrid Vapor Stripping-Vapor Permeation Process for Recovery and Dehydration of 1-Butanol and Acetone/Butanol/Ethanol from Dilute Aqueous Solutions. Part 1. Process Simulations

Science.gov (United States)

BACKGROUND: Fermentative production of butanol is limited to low concentrations, typically less than 2 wt% solvent, due to product inhibition. The result is high separation energy demand by conventional distillation approaches, despite favorable vapor-liquid equilibrium and parti...

Enhanced robustness in acetone-butanol-ethanol fermentation with engineered Clostridium beijerinckii overexpressing adhE2 and ctfAB.

Science.gov (United States)

Lu, Congcong; Yu, Le; Varghese, Saju; Yu, Mingrui; Yang, Shang-Tian

2017-11-01

Clostridium beijerinckii CC101 was engineered to overexpress aldehyde/alcohol dehydrogenase (adhE2) and CoA-transferase (ctfAB). Solvent production and acid assimilation were compared between the parental and engineered strains expressing only adhE2 (CC101-SV4) and expressing adhE2, ald and ctfAB (CC101-SV6). CC101-SV4 showed an early butanol production from glucose but stopped pre-maturely at a low butanol concentration of ∼6g/L. Compared to CC101, CC101-SV6 produced more butanol (∼12g/L) from glucose and was able to re-assimilate more acids, which prevented "acid crash" and increased butanol production, under all conditions studied. CC101-SV6 also showed better ability in using glucose and xylose present in sugarcane bagasse hydrolysate, and produced 9.4g/L solvents (acetone, butanol and ethanol) compared to only 2.6g/L by CC101, confirming its robustness and better tolerance to hydrolysate inhibitors. The engineered strain of C. beijerinckii overexpressing adhE2 and ctfAB should have good potential for producing butanol from lignocellulosic biomass hydrolysates. Copyright © 2017 Elsevier Ltd. All rights reserved.

Actinide-carbon bonds: insertion reactions of carbon monoxide, tert-butyl isocyanide, and tert-butyl cyanide into [(Me3Si)2N]2MCH2Si(Me)2NSiMe3

International Nuclear Information System (INIS)

Simpson, S.J.; Andersen, R.A.

1981-01-01

The thorium or uranium metallacycles [(Me 2 Si) 2 N] 2 MCH 2 Si(Me) 2 NSiMe 3 (I) react with tert-butyl cyanide to give the six-membered ring compounds [(Me 3 Si) 2 N] 2 MN = C(t-Bu)CH 2 Si(Me) 2 NSiMe 3 . The metallacycles (I) also react with the isoelectronic molecules tert-butyl isocyanide and carbon monoxide to give the unique five-membered ring compounds with exocyclic carbon-carbon double bonds, [(Me 3 Si) 2 N] 2 MXC(=CH 2 )Si(Me) 2 NSiMe 3 , where X is t-BuN or oxygen. The four-membered ring metallacycles (I) give simple coordination complexes of the type [(Me 3 Si) 2 N] 2 MCH 2 Si-(Me) 2 NSiMe 3 (N 3 SiMe 3 ) with trimethylsilyl azide

Microwave Photochemistry II. Photochemistry of 2-tert-butylphenol

Czech Academy of Sciences Publication Activity Database

Církva, Vladimír; Kurfürstová, Jana; Karban, Jindřich; Hájek, Milan

2004-01-01

Roč. 168, č. 3 (2004), s. 197-204 ISSN 1010-6030 R&D Projects: GA ČR GA203/02/0879 Institutional research plan: CEZ:AV0Z4072921 Keywords : microwave photochemistry * electrodeless discharge lamp * 2-tert-Butylphenol Subject RIV: CC - Organic Chemistry Impact factor: 2.235, year: 2004

Solvent extraction of Ca2+, Ba2+, Cu2+, Zn2+, Cd2+, Pb2+, UO22+, Mn2+, Co2+ and Ni2+ into nitrobenzene using strontium dicarbol-lylcobaltate and tetra-tert-butyl p-tert-butylcalix[4]arene tetraacetate

Directory of Open Access Journals (Sweden)

E. MAKRLÍK

2008-12-01

Full Text Available The exchange extraction constants corresponding to the general equilibrium M2+(aq + SrL2+(nb D ML2+ (nb + Sr2+ (aq occurring in the two-phase water–nitrobenzene system (M2+ = Ca2+, Ba2+, Cu2+, Zn2+, Cd2+, Pb2+, UO22+, Mn2+, Co2+ or Ni2+; L = tetra-tert-butyl p-tert-butylcalix[4]arene tetraacetate; aq = aqueous phase; nb = nitrobenzene phase were evaluated from extraction experiments and -activity measurements. Furthermore, the stability constants of the ML2+ complexes in water saturated nitrobenzene were calculated; they were found to increase in the cation order Ba2+ < Mn2+ < Pb2+, Co2+ < Cu2+, Zn2+ < Cd2+, Ni2+ < UO22+ < Ca2+.

Crystal structure of (1R,4R-tert-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate

Directory of Open Access Journals (Sweden)

Suvratha Krishnamurthy

2015-07-01

Full Text Available In the title compound, C11H17NO4, commonly known as N-tert-butoxycarbonyl-5-hydroxy-d-pipecolic acid lactone, the absolute configuration is (1R,4R due to the enantiomeric purity of the starting material which remains unchanged during the course of the reaction. In the crystal there no intermolecular hydrogen bonds.

Thermodynamic properties of 2,7-di-tert-butylfluorene – An experimental and computational study

International Nuclear Information System (INIS)

Oliveira, Juliana A.S.A.; Freitas, Vera L.S.; Notario, Rafael; Ribeiro da Silva, Maria D.M.C.; Monte, Manuel J.S.

2016-01-01

Highlights: • Enthalpies and Gibbs energies of formation of 2,7-di-tert-butylfluorene were determined. • Vapour pressures were measured at different temperatures. • Phase transition thermodynamic properties were determined. - Abstract: This work presents a comprehensive experimental and computational study of the thermodynamic properties of 2,7-di-tert-butylfluorene. The standard (p"o = 0.1 MPa) molar enthalpy of formation in the crystalline phase was derived from the standard molar energy of combustion, measured by static bomb combustion calorimetry. The enthalpies and temperatures of transition between condensed phases were determined from DSC experiments. The vapour pressures of the crystalline and liquid phases were measured between (349.14 and 404.04) K, using two different experimental methods. From these results the standard molar enthalpies, entropies and Gibbs energies of sublimation and of vaporization were derived. The enthalpy of sublimation was also determined using Calvet microcalorimetry. The thermodynamic stability of 2,7-di-tert-butylfluorene in the crystalline and gaseous phases was evaluated by the determination of the standard Gibbs energies of formation, at the temperature 298.15 K, and compared with the ones reported in the literature for fluorene. A computational study at the G3(MP2)//B3LYP and G3 levels has been carried out. A conformational analysis has been performed and the enthalpy of formation of 2,7-di-tert-butylfluorene has been calculated, using atomization and isodesmic reactions. The calculated enthalpies of formation have been compared to the experimental values.

Green chemistry: Efficient epoxides ring-opening with 1-butanol under microwave irradiation

International Nuclear Information System (INIS)

Garcia-Vidal, Jesus A.; Duran-Valle, Carlos J.; Ferrera-Escudero, Santiago

2006-01-01

Two activated carbons treated with mineral acids (HNO 3 and sulfonitric mixture) have been tested as acid catalysts in the epoxides (1,2-epoxyhexane and styrene oxide) ring-opening reaction with 1-butanol under microwave (MW) irradiation. The mayor obtained product is that resulting of the alcohol addition to the most substituted carbon in the epoxide ring. The most active catalyst is that treated with sulfonitric mixture. The use of a MW oven allows achieving to the complete conversion of styrene oxide in only 2 min

Green chemistry: Efficient epoxides ring-opening with 1-butanol under microwave irradiation

Energy Technology Data Exchange (ETDEWEB)

Garcia-Vidal, Jesus A. [Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Extremadura, Campus Universitario, Avda. de Elvas, s/n, E-06071-Badajoz (Spain); Duran-Valle, Carlos J. [Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Extremadura, Campus Universitario, Avda. de Elvas, s/n, E-06071-Badajoz (Spain)]. E-mail: carlosdv@unex.es; Ferrera-Escudero, Santiago [Departamento de Quimica Inorganica y Quimica Tecnica, Universidad Nacional de Educacion a Distancia, C/Senda del Rey, 9, E-28040 Madrid (Spain)

2006-06-30

Two activated carbons treated with mineral acids (HNO{sub 3} and sulfonitric mixture) have been tested as acid catalysts in the epoxides (1,2-epoxyhexane and styrene oxide) ring-opening reaction with 1-butanol under microwave (MW) irradiation. The mayor obtained product is that resulting of the alcohol addition to the most substituted carbon in the epoxide ring. The most active catalyst is that treated with sulfonitric mixture. The use of a MW oven allows achieving to the complete conversion of styrene oxide in only 2 min.

Experimental investigation of n-butanol/diesel fuel blends and n-butanol fumigation – Evaluation of engine performance, exhaust emissions, heat release and flammability analysis

International Nuclear Information System (INIS)

Şahin, Zehra; Durgun, Orhan; Aksu, Orhan N.

2015-01-01

Highlights: • n-Butanol/diesel fuel blends and n-butanol fumigation investigated experimentally. • Flammability analysis of n-butanol performed. • Smoke decreases significantly for n-butanol/diesel fuel blends and n-butanol fumigation. • HC emission increases significantly for n-butanol/diesel fuel blends and n-butanol fumigation. • 2% n-Butanol/diesel fuel blend decreases slightly BSFC. - Abstract: The aim of this paper is to investigate and compare the effects of n-butanol/diesel fuel blends (nBDFBs) and n-butanol fumigation (nBF) on the engine performance and exhaust emissions in a turbocharged automobile diesel engine. Also, evaluations based on heat release and flammability analysis have been done. Experiments have been performed for various n-nBDFBs and nBF at different engine speeds and loads. For nBDFBs and nBF tests; nB2, nB4 and nB6 and nBF2, nBF4 and nBF6n-butanol percentages were selected. Here, for example nB2 and nBF2 contains 2% n-butanol and 98% diesel fuel by volume respectively. The test results showed that smoke decreases significantly by applying both of these two methods. However, decrement ratios of smoke for fumigation method are higher than that of blend method. NO x emission decreases for nB2, but it increases for nB4 and nB6 at selected engine speeds and loads. NO x emission decreases generally for nBF. For nB2 and nB4, BSFC decreases slightly but it increases for nB6. For nBF, BSFC increases at all of the test conditions. Adding n-butanol to diesel fuel becomes expensive for two methods. For nBDFBs, heat release rate (HRR) diagrams exhibit similar typical characteristic to NDF. However, for nBF, HRR shows slightly different pattern from NDF and a double peak is observed in the HRR diagram. The first peak occurs earlier than NDF and the second peak takes places later. In addition, this diagram shows that the first peak becomes larger and the second peak diminishes as n-butanol ratio is increased. Because of pilot injection of

Alcohol-tolerant mutants of cyanobacterium Synechococcus elongatus PCC 7942 obtained by single-cell mutant screening system.

Science.gov (United States)

Arai, Sayuri; Hayashihara, Kayoko; Kanamoto, Yuki; Shimizu, Kazunori; Hirokawa, Yasutaka; Hanai, Taizo; Murakami, Akio; Honda, Hiroyuki

2017-08-01

Enhancement of alcohol tolerance in microorganisms is an important strategy for improving bioalcohol productivity. Although cyanobacteria can be used as a promising biocatalyst to produce various alcohols directly from CO 2 , low productivity, and low tolerance against alcohols are the main issues to be resolved. Nevertheless, to date, a mutant with increasing alcohol tolerance has rarely been reported. In this study, we attempted to select isopropanol (IPA)-tolerant mutants of Synechococcus elongatus PCC 7942 using UV-C-induced random mutagenesis, followed by enrichment of the tolerant candidates in medium containing 10 g/L IPA and screening of the cells with a high growth rate in the single cell culture system in liquid medium containing 10 g/L IPA. We successfully acquired the most tolerant strain, SY1043, which maintains the ability to grow in medium containing 30 g/L IPA. The photosynthetic oxygen-evolving activities of SY1043 were almost same in cells after 72 h incubation under light with or without 10 g/L IPA, while the activity of the wild-type was remarkably decreased after the incubation with IPA. SY1043 also showed higher tolerance to ethanol, 1-butanol, isobutanol, and 1-pentanol than the wild type. These results suggest that SY1043 would be a promising candidate to improve alcohol production using cyanobacteria. Biotechnol. Bioeng. 2017;114: 1771-1778. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Effect of n-Butanol on Chromosomal Damage in Mice Bone Marrow Cells

Directory of Open Access Journals (Sweden)

Nahid Mansouri

2016-07-01

Full Text Available Background: n-Butanol is a four-carbon alcohol used widely in foods, cosmetics industries, biology and chemistry research laboratories, and other fields. Long time-effects of inhalation or consumption of small amounts of Butanol on human health are still unknown. On the other hand, numerous reports about the development of n-Butanol toxicity are available. The main objective of the study was to investigate the effects of inhaled and oral administration of n-Butanol as a long-term in vivo investigation.Materials and Methods: Small white laboratory, male mice (20-30 g were used in 11 groups (n=4 including experimental 1 to 6, 1 to 4 control "A” and positive control groups. Experimental groups 1-3, for 10, 20, and 40 days; 5 hours a day were inside a box with ventilation facilities exposed to air saturated with n-Butanol vapor. Experimental groups 4 to 6, received water containing n-Butanol 0.2%, 1% and 5% for 10 days. Control groups B, 1 to 3 was placed for 10, 20, and 40 days inside a similar box exposed to normal air, respectively. Control group B 4 received water without any particular substance for 10 days. The positive control group received 30µl subcutaneous vinblastine. Bone marrow cells were extracted 24 hours after treatments and stained by May-Grünwald-Giemsa staining and the number of micronucleus was counted. Vinblastine, as a positive control, increased an average of micronucleus numbers significantly compared to control group (P<0.001.Results: n-Butanol inhalation caused no significant difference in 1-3 experimental groups in the average numbers of micronucleus compared to control group, even in the 40 days treatment group, average numbers of micronucleus was decreased comparing to control group (P<0.05. Also, oral administration of 0.2% and 1% n-Butanol had no effect on the average micronucleus numbers compared to the control group, while oral administration of 5% n-Butanol caused even decrease in average numbers of micronucleus

Exploring the Reactivity of Thiocarbonyl S-(tert-Alkylimides)

DEFF Research Database (Denmark)

El-Essawy, Farag A. G.; Khattab, Ahmed F.; Yassin, Salah M.

1999-01-01

Three new alfa-oxo thione S-(tert-alkylimides) 3 have been prepared. Thiocarbonyl S- (tert-alkylimides) react with chlorine and bromine, but not with other halogens or pseudohalogens, to give the corresponding dihalomethylene compounds. The pyrolysis of 3 leads to the corresponding 1,2,4-trithiol...

Butanol production by bioconversion of cheese whey in a continuous packed bed reactor.

Science.gov (United States)

Raganati, F; Olivieri, G; Procentese, A; Russo, M E; Salatino, P; Marzocchella, A

2013-06-01

Butanol production by Clostridium acetobutylicum DSM 792 fermentation was investigated. Unsupplemented cheese whey was adopted as renewable feedstock. The conversion was successfully carried out in a biofilm packed bed reactor (PBR) for more than 3 months. The PBR was a 4 cm ID, 16 cm high glass tube with a 8 cm bed of 3mm Tygon rings, as carriers. It was operated at the dilution rate between 0.4h(-1) and 0.94 h(-1). The cheese whey conversion process was characterized in terms of metabolites production (butanol included), lactose conversion and biofilm mass. Under optimized conditions, the performances were: butanol productivity 2.66 g/Lh, butanol concentration 4.93 g/L, butanol yield 0.26 g/g, butanol selectivity of the overall solvents production 82 wt%. Copyright © 2013 Elsevier Ltd. All rights reserved.

Study of an aquifer contaminated by ethyl tert-butyl ether (ETBE): Site characterization and on-site bioremediation

Energy Technology Data Exchange (ETDEWEB)

Fayolle-Guichard, Francoise, E-mail: francoise.fayolle@ifpen.fr [IFP Energies nouvelles, 1 et 4 avenue de Bois-Preau, 92852 Rueil-Malmaison (France); Durand, Jonathan [Institut EGID Bordeaux 3, 1 Allee Daguin 33607 Pessac Cedex (France); SERPOL, 2 chemin du Genie, BP 80, 69633 Venissieux Cedex (France); Cheucle, Mathilde [SERPOL, 2 chemin du Genie, BP 80, 69633 Venissieux Cedex (France); Rosell, Monica [Department of Isotope Biogeochemistry, Helmholtz Centre for Environmental Research - UFZ, Permoserstrasse 15, 04318 Leipzig (Germany); Michelland, Rory Julien [Universite de Lyon, F-69622 Lyon (France); Universite Lyon 1, Villeurbanne (France); CNRS, UMR5557, Ecologie Microbienne (France); Tracol, Jean-Philippe [SERPOL, 2 chemin du Genie, BP 80, 69633 Venissieux Cedex (France); Le Roux, Francoise [IFP Energies nouvelles, 1 et 4 avenue de Bois-Preau, 92852 Rueil-Malmaison (France); Grundman, Genevieve [Universite de Lyon, F-69622 Lyon (France); Universite Lyon 1, Villeurbanne (France); CNRS, UMR5557, Ecologie Microbienne (France); Atteia, Olivier [Institut EGID Bordeaux 3, 1 Allee Daguin 33607 Pessac Cedex (France); Richnow, Hans H. [Department of Isotope Biogeochemistry, Helmholtz Centre for Environmental Research - UFZ, Permoserstrasse 15, 04318 Leipzig (Germany); Dumestre, Alain [SERPOL, 2 chemin du Genie, BP 80, 69633 Venissieux Cedex (France); and others

2012-01-30

Highlights: Black-Right-Pointing-Pointer Ethyl tert-butyl ether (ETBE) (>300 mg L{sup -1}) found in a groundwater (gas-station). Black-Right-Pointing-Pointer No significant carbon or hydrogen isotopic fractionation of ETBE along the plume. Black-Right-Pointing-Pointer MC-IFP culture degraded ETBE (0.91 mg L{sup -1} h{sup -1}) and BTEX (0.64 mg L{sup -1} h{sup -1}). Black-Right-Pointing-Pointer A pilot plant (2 m{sup 3}) inoculated with MC-IFP degraded ETBE in groundwater (15 Degree-Sign C). Black-Right-Pointing-Pointer ethB gene (ETBE biodegradation) amplified during bioaugmentation (5 Multiplication-Sign 10{sup 6}ethB gene copies L{sup -1}). - Abstract: Ethyl tert-butyl ether (ETBE) was detected at high concentration (300 mg L{sup -1}) in the groundwater below a gas-station. No significant carbon neither hydrogen isotopic fractionation of ETBE was detected along the plume. ETBE and BTEX biodegradation capacities of the indigenous microflora Pz1-ETBE and of a culture (MC-IFP) composed of Rhodococcus wratislaviensis IFP 2016, Rhodococcus aetherivorans IFP 2017 and Aquincola tertiaricarbonis IFP 2003 showed that ETBE and BTEX degradation rates were in the same range (ETBE: 0.91 and 0.83 mg L{sup -1} h{sup -1} and BTEX: 0.64 and 0.82 mg L{sup -1} h{sup -1}, respectively) but tert-butanol (TBA) accumulated transiently at a high level using Pz1-ETBE (74 mg L{sup -1}). An on-site pilot plant (2 m{sup 3}) filled with polluted groundwater and inoculated by MC-IFP, successfully degraded four successive additions of ETBE and gasoline. However, an insignificant ETBE isotopic fractionation was also accompanying this decrease which suggested the involvement of low fractionating-strains using EthB enzymes, but required of additional proofs. The ethB gene encoding a cytochrome P450 involved in ETBE biodegradation (present in R. aetherivorans IFP 2017) was monitored by quantitative real-time polymerase chain reaction (q-PCR) on DNA extracted from water sampled in the pilot plant

Mechanism of deactivation of triplet-excited riboflavin by ascorbate, carotenoids, and tocopherols in homogeneous and heterogeneous aqueous food model systems.

Science.gov (United States)

Cardoso, Daniel R; Olsen, Karsten; Skibsted, Leif H

2007-07-25

Tocopherols (alpha, beta, gamma, and delta) and Trolox were found to deactivate triplet-excited riboflavin in homogeneous aqueous solution (7:3 v/v tert-butanol/water) with second-order reaction rates close to diffusion control [k2 between 4.8 x 10(8) (delta-tocopherol) and 6.2 x 10(8) L mol(-1) s(-1) (Trolox) at 24.0 +/- 0.2 degrees C] as determined by laser flash photolysis transient absorption spectroscopy. In aqueous buffer (pH 6.4) the rate constant for Trolox was 2.6 x 10(9) L mol(-1) s1 and comparable to the rate constant found for ascorbate (2.0 x 10(9) L mol(-1) s(-1)). The deactivation rate constant was found to be inferior in heterogeneous systems as shown for alpha-tocopherol and Trolox in aqueous Tween-20 emulsion (approximately by a factor of 4 compared to 7:3 v/v tert-butanol/water). Neither beta-carotene (7:3 v/v tert-butanol/water and Tween-20 emulsion), lycopene (7:3 v/v tert-butanol/water), nor crocin (aqueous buffer at pH 6.4, 7:3 v/v tert-butanol/water, and Tween-20 emulsion) showed any quenching on the triplet excited state of riboflavin. Therefore, all carotenoids seem to reduce the formation of triplet-excited riboflavin through an inner-filter effect. Activation parameters were based on the temperature dependence of the triplet-excited deactivation between 15 and 35 degrees C, and the isokinetic behavior, which was found to include purine derivatives previously studied, confirms a common deactivation mechanism with a bimolecular diffusion-controlled encounter with electron (or hydrogen atom) transfer as rate-determining step. DeltaH for deactivation by ascorbic acid, Trolox, and homologue tocopherols (ranging from 18 kJ mol(-1) for Trolox in Tween-20 emulsion to 184 kJ mol(-1) for ascorbic acid in aqueous buffer at pH 6.4) showed a linear dependence on DeltaS (ranging from -19 J mol(-1) K(-1) for Trolox in aqueous buffer at pH 6.4 to +550 J mol(-1) K(-1) for ascorbic acid in aqueous buffer pH 6.4). Among photooxidation products from the

Metabolic engineering toward 1-butanol derivatives in solvent producing clostridia

NARCIS (Netherlands)

Siemerink, M.A.J.

2010-01-01

Chapter 1 of this thesis gives an overview about the history of the acetone, butanol and ethanol (ABE) fermentation. The responsible solventogenic clostridia with their central metabolism are briefly discussed. Despite the fact that scientific research on the key organisms of the ABE process has

Combined introduction of Bmi-1 and hTERT immortalizes human adipose tissue-derived stromal cells with low risk of transformation

International Nuclear Information System (INIS)

Tátrai, Péter; Szepesi, Áron; Matula, Zsolt; Szigeti, Anna; Buchan, Gyöngyi; Mádi, András; Uher, Ferenc

2012-01-01

Highlights: ► We immortalized human adipose stromal cells (ASCs) with hTERT, Bmi-1, and SV40T. ► hTERT-only ASCs are prone to transformation, while Bmi-only ASCs become senescent. ► SV40T introduced along with hTERT abrogates proliferation control and multipotency. ► hTERT combined with Bmi-1 yields stable phenotype up to 140 population doublings. -- Abstract: Adipose tissue-derived stromal cells (ASCs) are increasingly being studied for their usefulness in regenerative medicine. However, limited life span and donor-dependent variation of primary cells such as ASCs present major hurdles to controlled and reproducible experiments. We therefore aimed to establish immortalized ASC cell lines that provide steady supply of homogeneous cells for in vitro work while retain essential features of primary cells. To this end, combinations of human telomerase reverse transcriptase (hTERT), murine Bmi-1, and SV40 large T antigen (SV40T) were introduced by lentiviral transduction into ASCs. The resulting cell lines ASC hTERT , ASC Bmi-1 , ASC Bmi-1+hTERT and ASC SV40T+hTERT were tested for transgene expression, telomerase activity, surface immunomarkers, proliferation, osteogenic and adipogenic differentiation, karyotype, tumorigenicity, and cellular senescence. All cell lines have maintained expression of characteristic surface immunomarkers, and none was tumorigenic. However, ASC Bmi-1 had limited replicative potential, while the rapidly proliferating ASC SV40T+hTERT acquired chromosomal aberrations, departed from MSC phenotype, and lost differentiation capacity. ASC hTERT and ASC hTERT+Bmi-1 , on the other hand, preserved all essential MSC features and did not senesce after 100 population doublings. Notably, a subpopulation of ASC hTERT also acquired aberrant karyotype and showed signs of transformation after long-term culture. In conclusion, hTERT alone was sufficient to extend the life span of human ASC, but ASC hTERT are prone to transformation during extensive

CCDC26, CDKN2BAS, RTEL1 and TERT Polymorphisms in pediatric brain tumor susceptibility.

Science.gov (United States)

Adel Fahmideh, Maral; Lavebratt, Catharina; Schüz, Joachim; Röösli, Martin; Tynes, Tore; Grotzer, Michael A; Johansen, Christoffer; Kuehni, Claudia E; Lannering, Birgitta; Prochazka, Michaela; Schmidt, Lisbeth S; Feychting, Maria

2015-08-01

The role of genetic polymorphisms in pediatric brain tumor (PBT) etiology is poorly understood. We hypothesized that single nucleotide polymorphisms (SNPs) identified in genome-wide association studies (GWAS) on adult glioma would also be associated with PBT risk. The study is based on the Cefalo study, a population-based multicenter case-control study. Saliva DNA from 245 cases and 489 controls, aged 7-19 years at diagnosis/reference date, was extracted and genotyped for 29 SNPs reported by GWAS to be significantly associated with risk of adult glioma. Data were analyzed using unconditional logistic regression. Stratified analyses were performed for two histological subtypes: astrocytoma alone and the other tumor types combined. The results indicated that four SNPs, CDKN2BAS rs4977756 (p = 0.036), rs1412829 (p = 0.037), rs2157719 (p = 0.018) and rs1063192 (p = 0.021), were associated with an increased susceptibility to PBTs, whereas the TERT rs2736100 was associated with a decreased risk (p = 0.018). Moreover, the stratified analyses showed a decreased risk of astrocytoma associated with RTEL1 rs6089953, rs6010620 and rs2297440 (p trend = 0.022, p trend = 0.042, p trend = 0.029, respectively) as well as an increased risk of this subtype associated with RTEL1 rs4809324 (p trend = 0.033). In addition, SNPs rs10464870 and rs891835 in CCDC26 were associated with an increased risk of non-astrocytoma tumor subtypes (p trend = 0.009, p trend = 0.007, respectively). Our findings indicate that SNPs in CDKN2BAS, TERT, RTEL1 and CCDC26 may be associated with the risk of PBTs. Therefore, we suggest that pediatric and adult brain tumors might share common genetic risk factors and similar etiological pathways. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Deuterium incorporation experiments from (3R)- and (3S)-[3-2H]leucine into characteristic isoprenoidal lipid-core of halophilic archaea suggests the involvement of isovaleryl-CoA dehydrogenase.

Science.gov (United States)

Yamauchi, Noriaki; Tanoue, Ryo

2017-11-01

The stereochemical reaction course for the two C-3 hydrogens of leucine to produce a characteristic isoprenoidal lipid in halophilic archaea was observed using incubation experiments with whole cell Halobacterium salinarum. Deuterium-labeled (3R)- and (3S)-[3- 2 H]leucine were freshly prepared as substrates from 2,3-epoxy-4-methyl-1-pentanol. Incorporation of deuterium from (3S)-[3- 2 H]leucine and loss of deuterium from (3R)-[3- 2 H]leucine in the lipid-core of H. salinarum was observed. Taken together with the results of our previous report, involving the incubation of chiral-labeled [5- 2 H]leucine, these results strongly suggested an involvement of isovaleryl-CoA dehydrogenase in leucine conversion to isoprenoid lipid in halophilic archaea. The stereochemical course of the reaction (anti-elimination) might have been the same as that previously reported for mammalian enzyme reactions. Thus, these results suggested that branched amino acids were metabolized to mevalonate in archaea in a manner similar to other organisms.

Alkalization of steam and condensate with 2-amino-1-butanol and hydrazine; Alkalisering av aanga och kondensat med butanolamin och hydrazin

Energy Technology Data Exchange (ETDEWEB)

Falk, I [Studsvik Material AB, Nykoeping (Sweden)

1996-04-01

To maintain a low corrosion level in steam- and condensate systems at power and industrial plants, an alkalization of the steam is needed. A low corrosion level lowers the risk of operation disturbances and reduces the cost of the condensate clean up. A better knowledge in the behavior of the alkalis will improve the possibilities to avoid the corrosion attacks. In this work experimental measurements have been carried out during steam boiler conditions as temperature, continuous steam generation and condensation. It has been found that the volatility of 2-amino-1-butanol is very low during stationary dynamic conditions at 250 deg C and 120 deg C. To achieve a high ph-value in the final condensate a very high concentration of 2-amino-1-butanol is thus needed especially when the steam contains acidic compounds. The alkalization effect is obtained from ammonia which is created by thermal decomposition of hydrazine in the boiler water. It is necessary to carry out experimental investigations showing the thermal stability of organic compounds in boiler water before it is possible to recommend them as better volatile alkalis than ammonia and hydrazine. 6 refs, 13 figs

Single-strand DNA binding protein SSB1 facilitates TERT recruitment to telomeres and maintains telomere G-overhangs

Science.gov (United States)

Pandita, Raj K.; Chow, Tracy T.; Udayakumar, Durga; Bain, Amanda L.; Cubeddu, Liza; Hunt, Clayton R.; Shi, Wei; Horikoshi, Nobuo; Zhao, Yong; Wright, Woodring E.; Khanna, Kum Kum; Shay, Jerry W.; Pandita, Tej K.

2015-01-01

Proliferating mammalian stem and cancer cells express telomerase (TERT) in an effort to extend chromosomal G-overhangs and maintain telomere ends. Telomerase-expressing cells also have higher levels of the single-stranded DNA binding protein SSB1, which has a critical role in DNA double-strand break repair. Here we report that SSB1 binds specifically to G-strand telomeric DNA in vitro and associates with telomeres in vivo. SSB1 interacted with the TERT catalytic subunit and regulates its interaction with telomeres. Deletion of SSB1 reduced TERT interaction with telomeres and lead to G-overhang loss. While SSB1 was recruited to DSB sites, we found no corresponding change in TERT levels at these sites, implying that SSB1-TERT interaction relied upon a specific chromatin structure or context. Our findings offer an explanation for how telomerase is recruited to telomeres to facilitate G-strand DNA extension, a critical step in maintaining telomere ends and cell viability in all cancer cells. PMID:25589350

Quercetin protects human hepatoma HepG2 against oxidative stress induced by tert-butyl hydroperoxide

International Nuclear Information System (INIS)

Alia, Mario; Ramos, Sonia; Mateos, Raquel; Granado-Serrano, Ana Belen; Bravo, Laura; Goya, Luis

2006-01-01

Flavonols such as quercetin, have been reported to exhibit a wide range of biological activities related to their antioxidant capacity. The objective of the present study was to investigate the protective effect of quercetin on cell viability and redox status of cultured HepG2 cells submitted to oxidative stress induced by tert-butyl hydroperoxide. Concentrations of reduced glutathione and malondialdehyde, generation of reactive oxygen species and activity and gene expression of antioxidant enzymes were used as markers of cellular oxidative status. Pretreatment of HepG2 with 10 μM quercetin completely prevented lactate dehydrogenase leakage from the cells. Pretreatment for 2 or 20 h with all doses of quercetin (0.1-10 μM) prevented the decrease of reduced glutathione and the increase of malondialdehyde evoked by tert-butyl hydroperoxide in HepG2 cells. Reactive oxygen species generation induced by tert-butyl hydroperoxide was significantly reduced when cells were pretreated for 2 or 20 h with 10 μM and for 20 h with 5 μM quercetin. Finally, some of the quercetin treatments prevented the significant increase of glutathione peroxidase, superoxide dismutase, glutathione reductase and catalase activities induced by tert-butyl hydroperoxide. Gene expression of antioxidant enzymes was also affected by the treatment with the polyphenol. The results of the biomarkers analyzed clearly show that treatment of HepG2 cells in culture with the natural dietary antioxidant quercetin strongly protects the cells against an oxidative insult

Yarrowia lipolytica NCIM 3589, a tropical marine yeast, degrades bromoalkanes by an initial hydrolytic dehalogenation step.

Science.gov (United States)

Vatsal, Aakanksha; Zinjarde, Smita S; Kumar, Ameeta Ravi

2015-04-01

The widespread industrial use of organobromines which are known persistent organic pollutants has led to their accumulation in sediments and water bodies causing harm to animals and humans. While degradation of organochlorines by bacteria is well documented, information regarding degradation pathways of these recalcitrant organobromines is scarce. Hence, their fates and effects on the environment are of concern. The present study shows that a tropical marine yeast, Yarrowia lipolytica NCIM 3589 aerobically degrades bromoalkanes differing in carbon chain length and position of halogen substitution viz., 2-bromopropane (2-BP), 1-bromobutane (1-BB), 1,5 dibromopentane (1,5-DBP) and 1-bromodecane (1-BD) as seen by an increase in cell mass, release of bromide and concomitant decrease in concentration of brominated compound. The amount of bromoalkane degraded was 27.3, 21.9, 18.0 and 38.3 % with degradation rates of 0.076, 0.058, 0.046 and 0.117/day for 2-BP, 1-BB, 1,5-DBP and 1-BD, respectively. The initial product formed respectively were alcohols viz., 2-propanol, 1-butanol, 1-bromo, 5-pentanol and 1-decanol as detected by GC-MS. These were further metabolized to fatty acids viz., 2-propionic, 1-butyric and 1-decanoic acid eventually leading to carbon dioxide formation. Neither higher chain nor brominated fatty acids were detected. An inducible extracellular dehalogenase responsible for removal of bromide was detected with activities of 21.07, 18.82, 18.96 and 26.67 U/ml for 2-BP, 1-BB, 1,5-DBP and 1-BD, respectively. We report here for the first time the proposed aerobic pathway of bromoalkane degradation by an eukaryotic microbe Y. lipolytica 3589, involving an initial hydrolytic dehalogenation step.

Two related lithium calixarene complexes, [p-tert-butylcalix[4]arene(OMe)(OH)2(OLi)](2).4MeCN and {p-tert-butylcalix[4]arene(OH)2(OLi)[OLi(NCMe)2]}(2).8MeCN, determined using synchrotron radiation.

Science.gov (United States)

Lee, Darren S; Elsegood, Mark R J; Redshaw, Carl; Zhan, Shuzhong

2009-08-01

The crystal structures of acetonitrile solvates of two related lithium calixarene complexes have been determined by low-temperature single-crystal X-ray diffraction using synchrotron radiation. Bis(mu-5,11,17,23-tetra-tert-butyl-26,28-dihydroxy-25-methoxy-27-oxidocalix[4]arene)dilithium(I) acetonitrile tetrasolvate, [Li2(C45H57O4)2].4C2H3N or [p-tert-butylcalix[4]arene(OMe)(OH)2(OLi)](2).4MeCN, (I), crystallizes with the complex across a centre of symmetry and with four molecules of unbound acetonitrile of crystallization per complex. Tetraacetonitrilebis(mu-5,11,17,23-tetra-tert-butyl-26,28-dihydroxy-25,27-dioxidocalix[4]arene)tetralithium(I) acetonitrile octasolvate, [Li4(C44H54O4)2(C2H3N)4].8C2H3N or {p-tert-butylcalix[4]arene(OH)2(OLi)[OLi(NCMe)2]}(2).8MeCN, (II), also crystallizes with the complex lying across a centre of symmetry and contains eight molecules of unbound acetonitrile per complex plus four more directly bound to two of the lithium ions, two on each ion. The cores of both complexes are partially supported by O-H...O hydrogen bonds. The methoxy methyl groups in (I) prevent the binding of any more than two Li+ ions, while the corresponding two O-atom sites in (II) bind an extra Li(+) ion each, making four in total. The calixarene cone adopts an undistorted cone conformation in (I), but an elliptical one in (II).

Combined introduction of Bmi-1 and hTERT immortalizes human adipose tissue-derived stromal cells with low risk of transformation

Energy Technology Data Exchange (ETDEWEB)

Tatrai, Peter, E-mail: peter.tatrai@biomembrane.hu [Institute of Enzymology, Research Center for Natural Sciences, Hungarian Academy of Sciences, Karolina ut 29, H-1113 Budapest (Hungary); Department of Biochemistry and Molecular Biology, Medical and Health Science Center, University of Debrecen, Egyetem ter 1, H-4032 Debrecen (Hungary); Szepesi, Aron, E-mail: aron.szepesi@biomembrane.hu [Creative Cell Ltd., Puskas Tivadar utca 13, H-1119 Budapest (Hungary); Matula, Zsolt, E-mail: matula.zsolt@gmail.com [Creative Cell Ltd., Puskas Tivadar utca 13, H-1119 Budapest (Hungary); Szigeti, Anna, E-mail: anna.szigeti@biomembrane.hu [Creative Cell Ltd., Puskas Tivadar utca 13, H-1119 Budapest (Hungary); Buchan, Gyoengyi, E-mail: buchan@med.unideb.hu [Department of Biochemistry and Molecular Biology, Medical and Health Science Center, University of Debrecen, Egyetem ter 1, H-4032 Debrecen (Hungary); Madi, Andras, E-mail: madi@med.unideb.hu [Department of Biochemistry and Molecular Biology, Medical and Health Science Center, University of Debrecen, Egyetem ter 1, H-4032 Debrecen (Hungary); Stem Cell, Apoptosis and Genomics Research Group of the Hungarian Academy of Sciences, University of Debrecen, Egyetem ter 1, H-4032 Debrecen (Hungary); Uher, Ferenc, E-mail: uher@biomembrane.hu [Stem Cell Laboratory, Hungarian National Blood Transfusion Service, Dioszegi ut 64, H-1113 Budapest (Hungary); and others

2012-05-25

Highlights: Black-Right-Pointing-Pointer We immortalized human adipose stromal cells (ASCs) with hTERT, Bmi-1, and SV40T. Black-Right-Pointing-Pointer hTERT-only ASCs are prone to transformation, while Bmi-only ASCs become senescent. Black-Right-Pointing-Pointer SV40T introduced along with hTERT abrogates proliferation control and multipotency. Black-Right-Pointing-Pointer hTERT combined with Bmi-1 yields stable phenotype up to 140 population doublings. -- Abstract: Adipose tissue-derived stromal cells (ASCs) are increasingly being studied for their usefulness in regenerative medicine. However, limited life span and donor-dependent variation of primary cells such as ASCs present major hurdles to controlled and reproducible experiments. We therefore aimed to establish immortalized ASC cell lines that provide steady supply of homogeneous cells for in vitro work while retain essential features of primary cells. To this end, combinations of human telomerase reverse transcriptase (hTERT), murine Bmi-1, and SV40 large T antigen (SV40T) were introduced by lentiviral transduction into ASCs. The resulting cell lines ASC{sup hTERT}, ASC{sup Bmi-1}, ASC{sup Bmi-1+hTERT} and ASC{sup SV40T+hTERT} were tested for transgene expression, telomerase activity, surface immunomarkers, proliferation, osteogenic and adipogenic differentiation, karyotype, tumorigenicity, and cellular senescence. All cell lines have maintained expression of characteristic surface immunomarkers, and none was tumorigenic. However, ASC{sup Bmi-1} had limited replicative potential, while the rapidly proliferating ASC{sup SV40T+hTERT} acquired chromosomal aberrations, departed from MSC phenotype, and lost differentiation capacity. ASC{sup hTERT} and ASC{sup hTERT+Bmi-1}, on the other hand, preserved all essential MSC features and did not senesce after 100 population doublings. Notably, a subpopulation of ASC{sup hTERT} also acquired aberrant karyotype and showed signs of transformation after long-term culture

Alcohol-induced structural transitions in the acid-denatured Bacillus licheniformis α-amylase

Directory of Open Access Journals (Sweden)

Adyani Azizah Abd Halim

2017-01-01

Full Text Available Alcohol-induced structural changes in the acid-denatured Bacillus licheniformis α-amylase (BLA at pH 2.0 were studied by far-ultra violet circular dichroism, intrinsic, three-dimensional and 8-anilino-1-naphthalene sulfonic acid (ANS fluorescence, acrylamide quenching and thermal denaturation. All the alcohols used in this study produced partial refolding in the acid-denatured BLA as evident from the increased mean residue ellipticity at 222 nm, increased intrinsic fluorescence and decreased ANS fluorescence. The order of effectiveness of these alcohols to induce a partially folded state of BLA was found to be: 2,2,2-trifluoroethanol/tert-butanol > 1-propanol/2-propanol > 2-chloroethanol > ethanol > methanol. Three-dimensional fluorescence and acrylamide quenching results obtained in the presence of 5.5 M tert-butanol also suggested formation of a partially folded state in the acid-denatured BLA. However, 5.5 M tert-butanol-induced state of BLA showed a non-cooperative thermal transition. All these results suggested formation of a partially folded state of the acid-denatured BLA in the presence of these alcohols. Furthermore, their effectiveness was found to be guided by their chain length, position of methyl groups and presence of the substituents.

Phase equilibrium properties of binary and ternary systems containing di-isopropyl ether + 1-butanol + benzene at 313.15 K

International Nuclear Information System (INIS)

Villamanan, Rosa M.; Martin, M. Carmen; Chamorro, Cesar R.; Villamanan, Miguel A.; Segovia, Jose J.

2006-01-01

(Vapour + liquid) equilibria data of (di-isopropyl ether + 1-butanol + benzene) (di-isopropyl ether + 1-butanol) and (1-butanol + benzene) have been measured at T = 313.15 K using an isothermal total pressure cell. Data reduction by Barker's method provides correlations for the excess molar Gibbs energy using the Margules equation for the binary systems and the Wohl expansion for the ternary. The Wilson, NRTL and UNIQUAC models have been applied successfully to both the binary and the ternary systems reported here

Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

Science.gov (United States)

Buonomo, Joseph A; Everson, Daniel A; Weix, Daniel J

2013-11-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di- tert -butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

Production of Butyric Acid and Butanol from Biomass

Energy Technology Data Exchange (ETDEWEB)

Ramey, David E. [Environmental Energy Inc., Blacklick, OH (United States); Yang, Shang-Tian [The Ohio State Univ., Columbus, OH (United States). Dept. of Chemical and Biomolecular Engineering

2005-08-25

prices as a chemical are at $3.00 per gallon – wholesaling in 55 gallon drums for $6.80, with a worldwide market of 1.4 billion gallon per year. The market demand is expected to increase dramatically since butanol can now be produced economically from low-cost biomass. Butanol’s application as a replacement for gasoline will outpace ethanol, biodiesel and hydrogen when its safety and simplicity of use are seen. Butanol’s application for the Department of Defense as a clean-safe replacement for batteries when used in conjunction with fuel cell technology is seen as an application for the future. Disposable canisters made of PLA that carry butanol to be reformed and used to generate electricity for computers, night vision and stealth equipment can be easily disposed of. In a typical ABE fermentation, butyric, propionic and acetic acids are produced first by C. acetobutylicum; the culture then undergoes a metabolic shift and solvents (butanol, acetone, and ethanol) are formed (Fond et al., 1985). In conventional ABE fermentations, the butanol yield from glucose is low, typically at ~15% (w/w) and rarely exceeds 25% (0.77–1.3 gallons per bushel corn respectfully). The production of butanol is also limited by severe product inhibition. Butanol at a concentration of 10 g/L can significantly inhibit cell growth and the fermentation. Consequently, butanol titers in conventional ABE fermentations are usually lower than 13 g/L. The low butanol yield and butanol concentration made butanol production from glucose by ABE fermentation uneconomical.

Single-strand DNA-binding protein SSB1 facilitates TERT recruitment to telomeres and maintains telomere G-overhangs.

Science.gov (United States)

Pandita, Raj K; Chow, Tracy T; Udayakumar, Durga; Bain, Amanda L; Cubeddu, Liza; Hunt, Clayton R; Shi, Wei; Horikoshi, Nobuo; Zhao, Yong; Wright, Woodring E; Khanna, Kum Kum; Shay, Jerry W; Pandita, Tej K

2015-03-01

Proliferating mammalian stem and cancer cells express telomerase [telomerase reverse transcriptase (TERT)] in an effort to extend chromosomal G-overhangs and maintain telomere ends. Telomerase-expressing cells also have higher levels of the single-stranded DNA-binding protein SSB1, which has a critical role in DNA double-strand break (DSB) repair. Here, we report that SSB1 binds specifically to G-strand telomeric DNA in vitro and associates with telomeres in vivo. SSB1 interacts with the TERT catalytic subunit and regulates its interaction with telomeres. Deletion of SSB1 reduces TERT interaction with telomeres and leads to G-overhang loss. Although SSB1 is recruited to DSB sites, we found no corresponding change in TERT levels at these sites, implying that SSB1-TERT interaction relies upon a specific chromatin structure or context. Our findings offer an explanation for how telomerase is recruited to telomeres to facilitate G-strand DNA extension, a critical step in maintaining telomere ends and cell viability in all cancer cells. Cancer Res; 75(5); 858-69. ©2015 AACR. ©2015 American Association for Cancer Research.

Folded cladding porous shaped photonic crystal fiber with high sensitivity in optical sensing applications: Design and analysis

Directory of Open Access Journals (Sweden)

Bikash Kumar Paul

2017-02-01

Full Text Available A micro structure folded cladding porous shaped with circular air hole photonic crystal fiber (FP-PCF is proposed and numerically investigated in a broader wavelength range from 1.4 µm to 1.64 µm (E+S+C+L+U for chemical sensing purposes. Employing finite element method (FEM with anisotropic perfectly matched layer (PML various properties of the proposed FP-PCF are numerically inquired. Filling the hole of core with aqueous analyte ethanol (n = 1.354 and tuning different geometric parameters of the fiber, the sensitivity order of 64.19% and the confinement loss of 2.07 × 10-5 dB/m are attained at 1.48 µm wavelength in S band. The investigated numerical simulation result strongly focuses on sensing purposes; because this fiber attained higher sensitivity with lower confinement loss over the operating wavelength. Measuring time of sensitivity, simultaneously confinement loss also inquired. It reflects that confinement loss is highly dependable on PML depth but not for sensitivity. Beside above properties numerical aperture (NA, nonlinearity, and effective area are also computed. This FP-PCF also performed as sensor for other alcohol series (methanol, propanol, butanol, pentanol. Optimized FP-PCF shows higher sensitivity and low confinement loss carrying high impact in the area of chemical as well as gas sensing purposes. Surely it is clear that install such type of sensor will flourish technology massively.         Keywords: Confinement loss, Effective area, Index guiding FP-PCF, Numerical aperture, Nonlinear coefficient, Sensitivity

ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

Directory of Open Access Journals (Sweden)

A. Benchettara

2014-12-01

Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

ELECTROCHEMICAL DETERMINATION OF ETHANOL, 2- PROPANOL AND 1-BUTANOL ON GLASSY CARBON ELECTRODE MODIFIED WITH NICKEL OXIDE FILM

Directory of Open Access Journals (Sweden)

A. Benchettara

2015-07-01

Full Text Available In this work, we present the modification of a glassy carbon electrode with nickel oxide film which is performed in two successive steps. In the first one, the electrochemical deposition of metallic nickel on the glassy carbon electrode (GCE is achieved in 0.1M boric acid; in the second step, the metallic deposit is anodically oxidized in 0.1M NaOH. These two operations were carried out in a three electrode cell with a filiform platinum auxiliary electrode, a SCE as potential reference and a working microelectrode of modified glassy carbon with nickel oxides. This electrode is characterized by several electrochemical techniques and is used for the catalytic determination of ethanol, 2-propanol and 1-butanol in 0.1 M NaOH. The proposed chemical mechanism shows that NiO2 acts as a mediator.

Theoretical investigation of the weak interaction between graphene and alcohol solvents

Science.gov (United States)

Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

2017-05-01

The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

Functional and gene expression analysis of hTERT overexpressed endothelial cells

Directory of Open Access Journals (Sweden)

Haruna Takano

2008-09-01

Full Text Available Haruna Takano1, Satoshi Murasawa1,2, Takayuki Asahara1,2,31Institute of Biomedical Research and Innovation, Kobe, Japan; 2RIKEN Center for Developmental Biology, Kobe 650-0047, Japan; 3Tokai University of School of Medicine, Tokai, JapanAbstract: Telomerase dysfunction contributes to cellular senescence. Recent advances indicate the importance of senescence in maintaining vascular cell function in vitro. Human telomerase reverse transcriptase (hTERT overexpression is thought to lead to resistance to apoptosis and oxidative stress. However, the mechanism in endothelial lineage cells is unclear. We tried to generate an immortal endothelial cell line from human umbilical vein endothelial cells using a no-virus system and examine the functional mechanisms of hTERT overexpressed endothelial cell senescence in vitro. High levels of hTERT genes and endothelial cell-specific markers were expressed during long-term culture. Also, angiogenic responses were observed in hTERT overexpressed endothelial cell. These cells showed a delay in senescence and appeared more resistant to stressed conditions. PI3K/Akt-related gene levels were enhanced in hTERT overexpressed endothelial cells. An up-regulated PI3K/Akt pathway caused by hTERT overexpression might contribute to anti-apoptosis and survival effects in endothelial lineage cells.Keywords: endothelial, telomerase, senescence, oxidative stress, anti-apoptosis, PI3K/Akt pathway

An efficient and highly selective ortho-tert-butylation of p-cresol with methyl tert-butyl ether catalyzed by sulfonated ionic liquids

Directory of Open Access Journals (Sweden)

Alamdari Reza Fareghi

2014-01-01

Full Text Available A novel series of sulfonic acid-functionalized ionic liquids (SFILs was found to act as efficient catalysts for ortho-tert-butylation of p-cresol with methyl tert-butyl ether (MTBE as the tert-butylating agent without an added solvent. The mono o-tert-butylated product was obtained in up to 80.4% isolated yield and 95.2% selectivity under such green conditions. No O-tert-butylated byproducts were formed.

5-tert-Butyl-2-(4'-[{sup 18}F]fluoropropynylphenyl)-1,3-dithiane oxides: potential new GABA{sub A} receptor radioligands

Energy Technology Data Exchange (ETDEWEB)

Li Xuehe; Jung, Yong-Woon; Snyder, Scott E.; Blair, Joseph; Sherman, Philip S.; Desmond, Timothy; Frey, Kirk A. [Department of Radiology, University of Michigan Medical School, Ann Arbor, MI 48109 (United States); Kilbourn, Michael R. [Department of Radiology, University of Michigan Medical School, Ann Arbor, MI 48109 (United States)], E-mail: mkilbour@umich.edu

2008-07-15

As potential new ligands targeting the binding site of {gamma}-aminobutyric acid (GABA) receptor ionophore, trans-5-tert-butyl-2-(4'-fluoropropynylphenyl)-2-methyl-1,1-dioxo-1, 3-dithiane (1) and cis/trans-5-tert-butyl-2-(4'-fluoropropynylphenyl)-2-methyl-1,1,3, 3-tetroxo-1,3-dithiane (2) were selected for radiolabeling and initial evaluation as in vivo imaging agents for positron emission tomography (PET). Both compounds exhibited identical high in vitro binding affinities (K{sub i}=6.5 nM). Appropriate tosylate-substituted ethynyl precursors were prepared by multistep syntheses involving stepwise sulfur oxidation and chromatographic isolation of desired trans isomers. Radiolabeling was accomplished in one step using nucleophilic [{sup 18}F]fluorination. In vivo biodistribution studies with trans-[{sup 18}F]1 and trans-[{sup 18}F]2 showed significant initial uptake into mouse brain and gradual washout, with heterogeneous regional brain distributions and higher retention in the cerebral cortex and cerebellum and lower retention in the striatum and pons-medulla. These regional distributions of the new radioligands correlated with in vitro and ex vivo measures of standard radioligands binding to the ionophore- and benzodiazepine-binding sites of GABA{sub A} receptor in rodent brain. A comparison of these results with previously prepared radiotracers for other neurochemical targets, including successes and failures as in vivo radioligands, suggests that higher-affinity compounds with increased retention in target brain tissues will likely be needed before a successful radiopharmaceutical for human PET imaging can be identified.

Butanol production under microaerobic conditions with a symbiotic system of Clostridium acetobutylicum and Bacillus cereus.

Science.gov (United States)

Wu, Pengfei; Wang, Genyu; Wang, Gehua; Børresen, Børre Tore; Liu, Hongjuan; Zhang, Jianan

2016-01-14

One major problem of ABE (acetone, butanol and ethanol) fermentation is high oxygen sensitivity of Clostridium acetobutylicum. Currently, no single strain has been isolated or genetically engineered to produce butanol effectively under aerobic conditions. In our previous work, a symbiotic system TSH06 has been developed successfully by our group, and two strains, C. acetobutylicum TSH1 and Bacillus cereus TSH2, were isolated from TSH06. Compared with single culture, TSH06 showed promotion on cell growth and solvent accumulation under microaerobic conditions. To simulate TSH06, a new symbiotic system was successfully re-constructed by adding living cells of B. cereus TSH2 into C. acetobutylicum TSH1 cultures. During the fermentation process, the function of B. cereus TSH2 was found to deplete oxygen and provide anaerobic environment for C. acetobutylicum TSH1. Furthermore, inoculation ratio of C. acetobutylicum TSH1 and B. cereus TSH2 affected butanol production. In a batch fermentation with optimized inoculation ratio of 5 % C. acetobutylicum TSH1 and 0.5 % B. cereus TSH2, 11.0 g/L butanol and 18.1 g/L ABE were produced under microaerobic static condition. In contrast to the single culture of C. acetobutylicum TSH1, the symbiotic system became more aerotolerant and was able to produce 11.2 g/L butanol in a 5 L bioreactor even with continuous 0.15 L/min air sparging. In addition, qPCR assay demonstrated that the abundance of B. cereus TSH2 increased quickly at first and then decreased sharply to lower than 1 %, whereas C. acetobutylicum TSH1 accounted for more than 99 % of the whole population in solventogenic phase. The characterization of a novel symbiotic system on butanol fermentation was studied. The new symbiotic system re-constructed by co-culture of C. acetobutylicum TSH1 and B. cereus TSH2 showed excellent performance on butanol production under microaerobic conditions. B. cereus TSH2 was a good partner for C. acetobutylicum TSH1 by providing an anaerobic

Effect of Solvent, Catalyst Type and Catalyst Activation on the Microwave Transformation of 2-Tert-butylphenol

Czech Academy of Sciences Publication Activity Database

Radoiu, M.; Hájek, Milan

2002-01-01

Roč. 186, 1-2 (2002), s. 121-126 ISSN 1381-1169 Institutional research plan: CEZ:AV0Z4072921 Keywords : microwaves * tert-butylphenols * catalyst activation Subject RIV: CC - Organic Chemistry Impact factor: 1.729, year: 2002

Efficient acetone-butanol-ethanol production by Clostridium beijerinckii from sugar beet pulp.

Science.gov (United States)

Bellido, Carolina; Infante, Celia; Coca, Mónica; González-Benito, Gerardo; Lucas, Susana; García-Cubero, María Teresa

2015-08-01

Sugar beet pulp (SBP) has been investigated as a promising feedstock for ABE fermentation by Clostridium beijerinckii. Although lignin content in SBP is low, a pretreatment is needed to enhance enzymatic hydrolysis and fermentation yields. Autohydrolysis at pH 4 has been selected as the best pretreatment for SBP in terms of sugars release and acetone and butanol production. The best overall sugars release yields from raw SBP ranged from 66.2% to 70.6% for this pretreatment. The highest ABE yield achieved was 0.4g/g (5.1g/L of acetone and 6.6g/L butanol) and 143.2g ABE/kg SBP (62.3g acetone and 80.9g butanol) were obtained when pretreated SBP was enzymatically hydrolyzed at 7.5% (w/w) solid loading. Higher solid loadings (10%) offered higher acetone and butanol titers (5.8g/L of acetone and 7.8g/L butanol). All the experiments were carried out under not-controlling pH conditions reaching about 5.3 in the final samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

An economic evaluation of biological conversion of wheat straw to butanol: A biofuel

International Nuclear Information System (INIS)

Qureshi, N.; Saha, B.C.; Cotta, M.A.; Singh, V.

2013-01-01

Highlights: ► An economic evaluation of bioconversion of wheat straw to butanol was performed. ► Wheat straw and utilities impact butanol economics significantly. ► Sulfuric acid and sodium hydroxide affect butanol production cost adversely. ► Annexation of butanol plant to an existing distillery improves butanol economics. ► Butanol production cost from wheat straw was estimated to be $1.31–1.00/kg. - Abstract: A cost estimation study was performed for a biological butanol production plant with a capacity of 150 × 10 6 kg butanol/year. Wheat straw (WS) was used as a feedstock. In addition to butanol, acetone (78.05 × 10 6 kg/year) and ethanol (28.54 × 10 6 kg/year) would also be produced. The total capital cost for this plant was $193.07 × 10 6 . This exercise was based in part on data generated in our laboratory and in part on data obtained from literature. The design, mass balance, and energy balance simulations were performed using SuperPro Designer (Version 8.5003, 2012). For butanol production wheat straw would be pretreated with dilute (1% v/v) sulfuric acid at 121 °C for 1 h followed by separate hydrolysis (using enzymes), fermentation and recovery. Enzyme cost for wheat straw hydrolysis was adapted from literature ($0.16/kg butanol). Utilities which included steam/high pressure steam, cooling/chilling water, and electricity represented the major cost of the operation (49.18%) followed by raw materials (26.81%). Based on batch fermentation of wheat straw hydrolysate and distillative recovery of acetone butanol ethanol (ABE), butanol production cost was estimated to be $1.30/kg for a grass-rooted/green-field plant. Application of a membrane recovery process could reduce this price to $1.00/kg for a plant annexed to an existing distillery.

Butanol production by Clostridium acetobutylicum in a continuous packed bed reactor.

Science.gov (United States)

Napoli, Fabio; Olivieri, Giuseppe; Russo, Maria Elena; Marzocchella, Antonio; Salatino, Piero

2010-06-01

In this study, we report on a butanol production process by immobilized Clostridium acetobutylicum in a continuous packed bed reactor (PBR) using Tygon rings as a carrier. The medium was a solution of lactose (15-30 g/L) and yeast extract (3 g/L) to emulate the cheese whey, an abundant lactose-rich wastewater. The reactor was operated under controlled conditions with respect to the pH and to the dilution rate. The pH and the dilution rate ranged between 4 and 5, the dilution rate between 0.54 and 2.4 h(-1) (2.5 times the maximum specific growth rate assessed for suspended cells). The optimal performance of the reactor was recorded at a dilution rate of 0.97 h(-1): the butanol productivity was 4.4 g/Lh and the selectivity of solvent in butanol was 88%(w).

Relationship between selected indoor volatile organic compounds, so-called microbial VOC, and the prevalence of mucous membrane symptoms in single family homes

International Nuclear Information System (INIS)

Araki, Atsuko; Kawai, Toshio; Eitaki, Yoko; Kanazawa, Ayako; Morimoto, Kanehisa; Nakayama, Kunio; Shibata, Eiji; Tanaka, Masatoshi; Takigawa, Tomoko; Yoshimura, Takesumi; Chikara, Hisao; Saijo, Yasuaki; Kishi, Reiko

2010-01-01

Microorganisms are known to produce a range of volatile organic compounds, so-called microbial VOC (MVOC). Chamber studies where humans were exposed to MVOC addressed the acute effects of objective and/or subjective signs of mucosal irritation. However, the effect of MVOC on inhabitants due to household exposure is still unclear. The purpose of this epidemiological study was to measure indoor MVOC levels in single family homes and to evaluate the relationship between exposure to them and sick building syndrome (SBS). All inhabitants of the dwellings were given a self-administered questionnaire with standardized questions to assess their symptoms. Air samples were collected and the concentrations of eight selected compounds in indoor air were analyzed by gas chromatography/mass spectrometry - selective ion monitoring mode (GC/MS-SIM). The most frequently detected MVOC was 1-pentanol at a detection rate of 78.6% and geometric mean of 0.60 μg/m 3 . Among 620 participants, 120 (19.4%) reported one or more mucous symptoms; irritation of the eyes, nose, airway, or coughing every week (weekly symptoms), and 30 (4.8%) reported that the symptoms were home-related (home-related symptoms). Weekly symptoms were not associated with any of MVOC, whereas significant associations between home-related mucous symptoms and 1-octen-3-ol (per log 10 -unit: odds ratio (OR) 5.6, 95% confidence interval (CI): 2.1 to 14.8) and 2-pentanol (per log 10 -unit: OR 2.3, 95% CI: 1.0 to 4.9) were obtained after adjustment for gender, age, and smoking. Associations between home-related symptoms and 1-octen-3-ol remained after mutual adjustment. However, concentrations of the selected compounds in indoors were lower than the estimated safety level in animal studies. Thus, the statistically significant association between 1-octen-3-ol may be due to a direct effect of the compounds or the associations may be being associated with other offending compounds. Additional studies are needed to evaluate

Isolasi Dan Identifikasi Terpenoid dari Fraksi n-Butanol Herba Lampasau (Diplazium esculentum Swartz

Directory of Open Access Journals (Sweden)

Maria Dewi Astuti

2017-03-01

Full Text Available Abstrak Telah dilakukan penelitian yang bertujuan untuk mengidentifikasi senyawa kimia yang diisolasi dari fraksi n-butanol ekstrak metanol herba lampasau (Diplazium esculentum Swartz. Ekstrak metanol diperoleh secara maserasi dan difraksinasi berturut-turut denganpetroleum eter, etil asetat, dan n-butanol. Fraksi n­-butanol difraksinasidengan kromatografi kolom dengan fase diam silika gel dihasilkan fraksi A, B, C, dan D. Fraksi B dimurnikan dengan kromatografi lapis tipis preparatif pada silika geldihasilkan isolat B1. Isolat B1 berupa padatan tidak berwarna danberfluoresensi putih di bawah lampu UV 366 nm. Panjang gelombang maksimum pada spektra UV  isolat B1 adalah 225 nm dan 272.5 nm yang menunjukkan adanya ikatan rangkap tak terkonjugasi. Spektra IR isolat B1 menunjukkan adanya gugus C=C, –OH, C=O lakton, –CO, C–H ulur, dan C–H tekuk. Spektra 1H-NMR isolat B1 menunjukkan sinyal proton pada ikatan rangkap, proton –OH, proton pada –CH2 yang terikat atom oksigen, serta proton gugus metil –CH3. Berdasarkan data spektra UV, IR, dan 1H-NMR maka isolat B1 disarankan sebagai turunan senyawa triterpenoid hopan-lakton. Kata kunci : diplazium esculentum Swartz, fraksi n-butanol, triterpenoid hopan-lakton  Abstract The research  aims to identify chemical compounds isolated fromn-butanol fraction methanol extract of lampasau herbs (Diplazium esculentum Swartz. The methanol extract was obtained by maceration and fractioned by petroleum ether, ethyl acetate, andn-butanol. N-butanol fraction was fractionated using column chromatography on silica gel produced fractions A, B, C, and D. Fraction B was purified by preparative thin layer chromatography on silica gel produced isolate B1. Isolate B1was colorless solid and has white fluorescent under UV lamp 366 nm. The maximum wavelength on UV spectra of B1 are 225 nm and 272,5 nm indicates the unconjugated double bond. IR spectra of B1 showed the vibration of C=C, –OH, C=O lactone, –CO, C�

Experimental and kinetic modeling investigation of rich premixed toluene flames doped with n-butanol.

Science.gov (United States)

Li, Yuyang; Yuan, Wenhao; Li, Tianyu; Li, Wei; Yang, Jiuzhong; Qi, Fei

2018-04-25

n-Butanol is a promising renewable biofuel and has a lot of advantages as a gasoline additive compared with ethanol. Though the combustion of pure n-butanol has been extensively investigated, the chemical structures of large hydrocarbons doped with n-butanol, especially for aromatic fuels, are still insufficiently understood. In this work, rich premixed toluene/n-butanol/oxygen/argon flames were investigated at 30 Torr with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). The blending ratio of n-butanol was varied from 0 to 50%, while the equivalence ratio was maintained at a quite rich value (1.75) for the purpose of studying the influence of n-butanol on the aromatic growth process. Flame species including radicals, reactive molecules, isomers and polycyclic aromatic hydrocarbons (PAHs) were identified and their mole fraction profiles were measured. A kinetic model of toluene/n-butanol combustion was developed from our recently reported toluene and n-butanol models. It is observed that the production of most toluene decomposition products and larger aromatics was suppressed as the blending ratio of n-butanol increases. Meanwhile, the addition of n-butanol generally enhanced the formation of most observed C2-C4 hydrocarbons and C1-C4 oxygenated species. The rate of production (ROP) analysis and experimental observations both indicate that the interaction between toluene and n-butanol in their decomposition processes mainly occurs at the formation of small intermediates, e.g. acetylene and methyl. In particular, the interaction between toluene and n-butanol in methyl formation influences the formation of large monocyclic aromatics such as ethylbenzene, styrene and phenylacetylene, making their maximum mole fractions decay slowly upon increasing the blending ratio of n-butanol compared with toluene and benzyl. The increase of the blending ratio of n-butanol reduces the formation of key PAH precursors such as benzyl, fulvenallenyl

The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro

Czech Academy of Sciences Publication Activity Database

Kutil, Zsófia; Kvasnicová, Marie; Temml, V.; Schuster, D.; Vaněk, Tomáš; Fernandez, E.; Malík, J.; Landa, Přemysl

2015-01-01

Roč. 26, č. 4 (2015), s. 504-511 ISSN 0954-0105 Institutional support: RVO:61389030 Keywords : food additives * tert-butylhydroquinone * cyclooxygenase Subject RIV: CE - Biochemistry Impact factor: 1.548, year: 2015

Inhibition of MMPs by alcohols

Science.gov (United States)

Tezvergil-Mutluay, Arzu; Agee, Kelli A.; Hoshika, Tomohiro; Uchiyama, Toshikazu; Tjäderhane, Leo; Breschi, Lorenzo; Mazzoni, Annalisa; Thompson, Jeremy M.; McCracken, Courtney E.; Looney, Stephen W.; Tay, Franklin R.; Pashley, David H.

2011-01-01

Objectives While screening the activity of potential inhibitors of matrix metalloproteinases (MMPs), due to the limited water solubility of some of the compounds, they had to be solubilized in ethanol. When ethanol solvent controls were run, they were found to partially inhibit MMPs. Thus, the purpose of this study was to compare the MMP-inhibitory activity of a series of alcohols. Methods The possible inhibitory activity of a series of alcohols was measured against soluble rhMMP-9 and insoluble matrix-bound endogenous MMPs of dentin in completely demineralized dentin. Increasing concentrations (0.17, 0.86, 1.71 and 4.28 moles/L) of a homologous series of alcohols (i.e. methanol, ethanol, propanols, butanols, pentanols, hexanols, the ethanol ester of methacrylic acid, heptanols and octanol) were compared to ethanediol, and propanediol by regression analysis to calculate the molar concentration required to inhibit MMPs by 50% (i.e. the IC50). Results Using two different MMP models, alcohols were shown to inhibit rhMMP-9 and the endogenous proteases of dentin matrix in a dose-dependent manner. The degree of MMP inhibition by alcohols increased with chain length up to 4 methylene groups. Based on the molar concentration required to inhibit rhMMP-9 fifty percent, 2-hydroxyethylmethacrylate (HEMA), 3-hexanol, 3-heptanol and 1-octanol gave the strongest inhibition. Significance The results indicate that alcohols with 4 methylene groups inhibit MMPs more effectively than methanol or ethanol. MMP inhibition was inversely related to the Hoy's solubility parameter for hydrogen bonding forces of the alcohols (i.e. to their hydrophilicity). PMID:21676453

Chiral recognition in electron scattering by S- and R-2-butanol

DEFF Research Database (Denmark)

Jones, Nykola C.; Hoffmann, Søren Vrønning; Field, David

2015-01-01

Experiments are described involving the low energy scattering of electrons from the two optical enantiomers S- and R- 2-butanol. Using a synchrotron radiation photoionization source on the ASTRID storage ring, scattering spectra are reported between a few meV and 140 meV at an electron energy...

Multifunctional Eu3+- and Er3+/Yb3+-doped GdVO4 nanoparticles synthesized by reverse micelle method

OpenAIRE

Gavrilović, Tamara V.; Jovanović, Dragana J.; Lojpur, Vesna; Dramićanin, Miroslav D.

2014-01-01

Synthesis of Eu3+- and Er3+/Yb3+-doped GdVO4 nanoparticles in reverse micelles and their multifunctional luminescence properties are presented. Using cyclohexane, Triton X-100, and n-pentanol as the oil, surfactant, and co-surfactant, respectively, crystalline nanoparticles with ~4 nm diameter are prepared at low temperatures. The particle size assessed using transmission electron microscopy is similar to the crystallite size obtained from X-ray diffraction measurements, suggesting that each ...

Stereoselective reactions. XXXII. Enantioselective deprotonation of 4-tert-butylcyclohexanone by fluorine-containing chiral lithium amides derived from 1-phenylethylamine and 1-(1-naphthyl)ethylamine.

Science.gov (United States)

Aoki, K; Koga, K

2000-04-01

Enantioselective deprotonation of 4-tert-butylcyclohexanone was examined using 1-phenylethylamine- and 1-(1-naphthyl)ethylamine-derived chiral lithium amides having an alkyl or a fluoroalkyl substituent at the amide nitrogen. The lithium amides having a 2,2,2-trifluoroethyl group on the amide nitrogen are easily accessible in both enantiomeric forms, and were found to induce good enantioselectivity in the present reaction.

Effects of n-butanol on barley microspore embryogenesis

DEFF Research Database (Denmark)

Castillo, Ana Maria; Nielsen, Nanna; Jensen, Anni

2014-01-01

crosses with different microspore embryogenesis capacities were selected for n-butanol application in anther and isolated microspore cultures. Application of 0.1 % n-butanol after a mannitol stress treatment in anther culture significantly increased the number of embryos (up to almost twice) and green...

Electrochemistry and spectroelectrochemistry of tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine, Lu2Pc4 and dimeric lutetium(III) phthalocyanine, Lu2Pc2(OAc)2

International Nuclear Information System (INIS)

Koca, Atif; Ceyhan, Tanju; Erbil, Mehmet K.; Ozkaya, Ali Riza; Bekaroglu, Ozer

2007-01-01

In this study, electrochemical, electrochromic and spectroelectrochemical properties of a tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine (Lu 2 Pc 4 2) were investigated explicitly as compared with a tert-butylcalix[4]arene bridged dimeric lutetium(III) phthalocyanine [Lu 2 Pc 2 (OAc) 2 1]. Distinctive differences between electrochemical and electrochromic properties of 1 and 2 were detected. Moreover, the properties of 1 and 2 were compared with previously reported S 4 (CH 2 ) 4 bridged Lu 2 Pc 2 (OAc) 2 and Lu 2 Pc 4 . The calixarene bridged phthalocyanine (Pc) compounds, 1 and 2 showed well-defined electrochromic behaviour with green-blue and blue-purple colour transitions. The enhanced electrochromic properties of 2, as compared to 1, were attributed to its double-decker structure, probably allowing the formation of suitable ion channels for the counter ion movement in the solid film

Simultaneous measurement of surface tension and viscosity using freely decaying oscillations of acoustically levitated droplets

Science.gov (United States)

Kremer, J.; Kilzer, A.; Petermann, M.

2018-01-01

Oscillations of small liquid drops around a spherical shape have been of great interest to scientists measuring physical properties such as interfacial tension and viscosity, over the last few decades. A powerful tool for contactless positioning is acoustic levitation, which has been used to simultaneously determine the surface tension and viscosity of liquids at ambient pressure. In order to extend this acoustic levitation measurement method to high pressure systems, the method is first evaluated under ambient pressure. To measure surface tension and viscosity using acoustically levitated oscillating drops, an image analysis method has to be developed and factors which may affect measurement, such as sound field or oscillation amplitude, have to be analyzed. In this paper, we describe the simultaneous measurement of surface tension and viscosity using freely decaying shape oscillations of acoustically levitated droplets of different liquids (silicone oils AK 5 and AK 10, squalane, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, and 1-octanol) in air. These liquids vary in viscosity from 2 to about 30 mPa s. An acoustic levitation system, including an optimized standing wave acoustic levitator and a high-speed camera, was used for this study. An image analysis was performed with a self-written Matlab® code. The frequency of oscillation and the damping constant, required for the determination of surface tension and viscosity, respectively, were calculated from the evolution of the equatorial and polar radii. The results and observations are compared to data from the literature in order to analyze the accuracy of surface tension and viscosity determination, as well as the effect of non-spherical drop shape or amplitude of oscillation on measurement.

Isobaric vapor–liquid–liquid–solid equilibrium of the water + NaCl + 1-butanol system at 101.3 kPa

International Nuclear Information System (INIS)

Garcia-Cano, Jorge; Gomis, Vicente; Asensi, Juan Carlos; Saquete, Maria Dolores; Font, Alicia

2016-01-01

Highlights: • Vapor–liquid–liquid and vapor–liquid equilibrium data are determined. • Vapor–liquid–solid and vapor–liquid–liquid–solid equilibrium data are determined. • Results are compared with literature data. • The influence of salt on water + 1-butanol equilibria is studied. • The influence of temperature is also studied. - Abstract: A mixture of water + NaCl + 1-butanol at 101.3 kPa is studied in order to determine the influence of salt on its experimental vapor–liquid–liquid–solid equilibrium. A detailed analysis of the evolution with temperature of the different equilibrium regions is carried out. The study is conducted at a constant pressure of 101.3 kPa in a recirculating still that has been modified by our research group. The changes in the 1-butanol/water composition ratio in the vapor phase that are provoked by the salt are studied as a function of equilibrium region. In addition, the mutual solubility of 1-butanol and water is assessed in the liquid–liquid and solid–liquid regions.

Vapor-liquid equilibrium ratio of trace furfural in water+1-butanol system; Mizu+1-butanorukei ni okeru biryo no furufuraru no kieki heikohi

Energy Technology Data Exchange (ETDEWEB)

Ikari, A.; Hatate, Y.; Aikou, R. [Kagoshima Univ. (Japan). Faculty of Engineering

1997-11-01

Vapor-liquid equilibria of a water + 1-butanol system containing a trace amount of furfural were measured at atmospheric pressure by use of a Iino-type still for systems of limited miscibility. Vapor-liquid compositions for the major components (water and 1-butanol) are shown to be nearly coincident with those of the binary system. In the partially miscible region, the vapor-liquid equilibrium ratios of the trace component (furfural) at bubble point were found to be 2.5 and 0.46. Consequently, the partition coefficient of the trace component between the two liquid phases is 5.4. The equilibrium ratio curve of the trace component is presented, in which the calculated curve within the partially miscible region is shown to be coincident with the experimental data. 5 refs., 3 figs., 1 tab.

Fluorescence spectroscopy of Rhodamine 6G: concentration and solvent effects.

Science.gov (United States)

Zehentbauer, Florian M; Moretto, Claudia; Stephen, Ryan; Thevar, Thangavel; Gilchrist, John R; Pokrajac, Dubravka; Richard, Katherine L; Kiefer, Johannes

2014-01-01

Rhodamine 6G (R6G), also known as Rhodamine 590, is one of the most frequently used dyes for application in dye lasers and as a fluorescence tracer, e.g., in the area of environmental hydraulics. Knowing the spectroscopic characteristics of the optical emission is key to obtaining high conversion efficiency and measurement accuracy, respectively. In this work, solvent and concentration effects are studied. A series of eight different organic solvents (methanol, ethanol, n-propanol, iso-propanol, n-butanol, n-pentanol, acetone, and dimethyl sulfoxide (DMSO)) are investigated at constant dye concentration. Relatively small changes of the fluorescence spectrum are observed for the different solvents; the highest fluorescence intensity is observed for methanol and lowest for DMSO. The shortest peak wavelength is found in methanol (568 nm) and the longest in DMSO (579 nm). Concentration effects in aqueous R6G solutions are studied over the full concentration range from the solubility limit to highly dilute states. Changing the dye concentration provides tunability between ∼550 nm in the dilute case and ∼620 nm at high concentration, at which point the fluorescence spectrum indicates the formation of R6G aggregates. Copyright © 2013 Elsevier B.V. All rights reserved.

Alcohols react with MCM-41 at room temperature and chemically modify mesoporous silica.

Science.gov (United States)

Björklund, Sebastian; Kocherbitov, Vitaly

2017-08-30

Mesoporous silica has received much attention due to its well-defined structural order, high surface area, and tunable pore diameter. To successfully employ mesoporous silica for nanotechnology applications it is important to consider how it is influenced by solvent molecules due to the fact that most preparation procedures involve treatment in various solvents. In the present work we contribute to this important topic with new results on how MCM-41 is affected by a simple treatment in alcohol at room temperature. The effects of alcohol treatment are characterized by TGA, FTIR, and sorption calorimetry. The results are clear and show that treatment of MCM-41 in methanol, ethanol, propanol, butanol, pentanol, or octanol at room temperature introduces alkoxy groups that are covalently bound to the silica surface. It is shown that alcohol treated MCM-41 becomes more hydrophobic and that this effect is sequentially more prominent going from methanol to octanol. Chemical formation of alkoxy groups onto MCM-41 occurs both for calcined and hydroxylated MCM-41 and the alkoxy groups are hydrolytically unstable and can be replaced by silanol groups after exposure to water. The results are highly relevant for mesoporous silica applications that involve contact or treatment in protic solvents, which is very common.

Characteristics of Butanol Isomers Oxidation in a Micro Flow Reactor

KAUST Repository

Bin Hamzah, Muhamad Firdaus

2017-05-01

Ignition and combustion characteristics of n-butanol/air, 2-butanol.air and isobutanol/air mixtures at stoichiometric (ϕ = 1) and lean (ϕ = 0.5) conditions were investigated in a micro flow reactor with a controlled temperature profile from 323 K to 1313 K, under atmospheric pressure. Sole distinctive weak flame was observed for each mixture, with inlet fuel/air mixture velocity set low at 2 cm/s. One-dimensional computation with comprehensive chemistry and transport was conducted. At low mixture velocities, one-stage oxidation was confirmed from heat release rate profiles, which was broadly in agreement with the experimental results. The weak flame positions were congruent with literature describing reactivity of the butanol isomers. These weak flame responses were also found to mirror the trend in Anti-Knock Indexes of the butanol isomers. Flux and sensitivity analyses were performed to investigate the fuel oxidation pathways at low and high temperatures. Further computational investigations on oxidation of butanol isomers at higher pressure of 5 atm indicated two-stage oxidation through the heat release rate profiles. Low temperature chemistry is accentuated in the region near the first weak cool flame for oxidation under higher pressure, and its impact on key species – such as hydroxyl radical, hydrogen peroxide and carbon monoxide – were considered. Both experimental and computational findings demonstrate the advantage of employing the micro flow reactor in investigating oxidation processes in the temperature region of interest along the reactor channel. By varying physical conditions such as pressure, the micro flow reactor system is proven to be highly beneficial in elucidating oxidation behavior of butanol isomers in conditions in engines such as those that mirror HCCI operations.

A new process for the valorisation of a bio-alcohol. The oxidehydration of 1-butanol into maleic anhydride

Energy Technology Data Exchange (ETDEWEB)

Caldarelli, A.; Cavani, F.; Garone, O.; Pavarelli, G. [Bologna Univ. (Italy). Dipt. di Chimica Industriale e dei Materiali; Bologna Univ. (Italy). CIRCC, Research Unit; Dubois, J.L. [ARKEMA, Colombes (France); Mitsova, I.; Simeonova, L. [JSC, Russe (Bulgaria). Orgachim

2012-07-01

This paper deals with a study on the gas-phase transformation of 1-butanol into maleic anhydride, using different types of catalysts. Indeed, catalytic acid properties are needed to dehydrate 1-butanol into 1-butene, whereas redox-type properties are required for the oxidation of the olefin into maleic anhydride. The two types of active sites can be combined in bifunctional systems, showing both acid and redox-type properties. We found that vanadyl pyrophosphate catalyzes the one-pot reaction, giving a maximum selectivity to maleic anhydride of 28%. In fact, various side reactions contributed to the formation of by-products, eg, 1-butanol (oxidative) dehydrogenation into butyraldehyde, formation of light carboxylic acids and carbon oxides, and condensation of unsaturated C{sub 4} intermediates (butenes and butadiene) with the formed maleic anhydride to yield heavier compounds. (orig.)

Germline TERT promoter mutations are rare in familial melanoma

DEFF Research Database (Denmark)

Harland, Mark; Petljak, Mia; Robles-Espinoza, Carla Daniela

2016-01-01

Germline CDKN2A mutations occur in 40 % of 3-or-more case melanoma families while mutations of CDK4, BAP1, and genes involved in telomere function (ACD, TERF2IP, POT1), have also been implicated in melanomagenesis. Mutation of the promoter of the telomerase reverse transcriptase (TERT) gene (c.-57...... T>G variant) has been reported in one family. We tested for the TERT promoter variant in 675 multicase families wild-type for the known high penetrance familial melanoma genes, 1863 UK population-based melanoma cases and 529 controls. Germline lymphocyte telomere length was estimated in carriers....... The c.-57 T>G TERT promoter variant was identified in one 7-case family with multiple primaries and early age of onset (earliest, 15 years) but not among population cases or controls. One family member had multiple primary melanomas, basal cell carcinomas and a bladder tumour. The blood leukocyte...

Fermentation and genomic analysis of acetone-uncoupled butanol production by Clostridium tetanomorphum.

Science.gov (United States)

Gong, Fuyu; Bao, Guanhui; Zhao, Chunhua; Zhang, Yanping; Li, Yin; Dong, Hongjun

2016-02-01

In typical acetone-butanol-ethanol (ABE) fermentation, acetone is the main by-product (50 % of butanol mass) of butanol production, resulting in a low yield of butanol. It is known that some Clostridium tetanomorphum strains are able to produce butanol without acetone in nature. Here, we described that C. tetanomorphum strain DSM665 can produce 4.16 g/L butanol and 4.98 g/L ethanol at pH 6.0, and 9.81 g/L butanol and 1.01 g/L ethanol when adding 1 mM methyl viologen. Butyrate and acetate could be reassimilated and no acetone was produced. Further analysis indicated that the activity of the acetate/butyrate:acetoacetyl-CoA transferase responsible for acetone production is lost in C. tetanomorphum DSM665. The genome of C. tetanomorphum DSM665 was sequenced and deposited in DDBJ, EMBL, and GenBank under the accession no. APJS00000000. Sequence analysis indicated that there are no typical genes (ctfA/B and adc) that are typically parts of an acetone synthesis pathway in C. tetanomorphum DSM665. This work provides new insights in the mechanism of clostridial butanol production and should prove useful for the design of a high-butanol-producing strain.

The predictive and prognostic potential of plasma telomerase reverse transcriptase (TERT) RNA in rectal cancer patients

Science.gov (United States)

Rampazzo, Enrica; Del Bianco, Paola; Bertorelle, Roberta; Boso, Caterina; Perin, Alessandro; Spiro, Giovanna; Bergamo, Francesca; Belluco, Claudio; Buonadonna, Angela; Palazzari, Elisa; Leonardi, Sara; De Paoli, Antonino; Pucciarelli, Salvatore; De Rossi, Anita

2018-01-01

Background: Preoperative chemoradiotherapy (CRT) followed by surgery is the standard care for locally advanced rectal cancer, but tumour response to CRT and disease outcome are variable. The current study aimed to investigate the effectiveness of plasma telomerase reverse transcriptase (TERT) levels in predicting tumour response and clinical outcome. Methods: 176 rectal cancer patients were included. Plasma samples were collected at baseline (before CRT=T0), 2 weeks after CRT was initiated (T1), post-CRT and before surgery (T2), and 4–8 months after surgery (T3) time points. Plasma TERT mRNA levels and total cell-free RNA were determined using real-time PCR. Results: Plasma levels of TERT were significantly lower at T2 (P<0.0001) in responders than in non-responders. Post-CRT TERT levels and the differences between pre- and post-CRT TERT levels independently predicted tumour response, and the prediction model had an area under curve of 0.80 (95% confidence interval (CI) 0.73–0.87). Multiple analysis demonstrated that patients with detectable TERT levels at T2 and T3 time points had a risk of disease progression 2.13 (95% CI 1.10–4.11)-fold and 4.55 (95% CI 1.48–13.95)-fold higher, respectively, than those with undetectable plasma TERT levels. Conclusions: Plasma TERT levels are independent markers of tumour response and are prognostic of disease progression in rectal cancer patients who undergo neoadjuvant therapy. PMID:29449673

Problems with the microbial production of butanol.

Science.gov (United States)

Zheng, Yan-Ning; Li, Liang-Zhi; Xian, Mo; Ma, Yu-Jiu; Yang, Jian-Ming; Xu, Xin; He, Dong-Zhi

2009-09-01

With the incessant fluctuations in oil prices and increasing stress from environmental pollution, renewed attention is being paid to the microbial production of biofuels from renewable sources. As a gasoline substitute, butanol has advantages over traditional fuel ethanol in terms of energy density and hygroscopicity. A variety of cheap substrates have been successfully applied in the production of biobutanol, highlighting the commercial potential of biobutanol development. In this review, in order to better understand the process of acetone-butanol-ethanol production, traditional clostridia fermentation is discussed. Sporulation is probably induced by solvent formation, and the molecular mechanism leading to the initiation of sporulation and solventogenesis is also investigated. Different strategies are employed in the metabolic engineering of clostridia that aim to enhancing solvent production, improve selectivity for butanol production, and increase the tolerance of clostridia to solvents. However, it will be hard to make breakthroughs in the metabolic engineering of clostridia for butanol production without gaining a deeper understanding of the genetic background of clostridia and developing more efficient genetic tools for clostridia. Therefore, increasing attention has been paid to the metabolic engineering of E. coli for butanol production. The importation and expression of a non-clostridial butanol-producing pathway in E. coli is probably the most promising strategy for butanol biosynthesis. Due to the lower butanol titers in the fermentation broth, simultaneous fermentation and product removal techniques have been developed to reduce the cost of butanol recovery. Gas stripping is the best technique for butanol recovery found so far.

Di-tert-butyl 2,2′-(biphenyl-2,2′-diyldioxydiacetate

Directory of Open Access Journals (Sweden)

Qamar Ali

2008-08-01

Full Text Available The title compound, C24H30O6, does not exhibit π–π interactions due to the steric effect of the bulky tert-butyl groups present in the molecule. The presence of these groups at the 2 and 2′ positions hinders the free motion of the benzene rings relative to each other, causing them to adopt an antiperiplanar arrangement. The benzene rings are twisted by just under 50.96 (17° with respect to each other. The carbonyl groups within the molecule are directed in different directions, one towards the biphenyl group and the other away from it. The molecules are linked together by C=O...H—C hydrogen bonds.

Response surface methodology optimization of lipase catalyzed transesterification of Jatropha curcas L. seed oil for biodiesel production

International Nuclear Information System (INIS)

Li, Yingxia; Wang, Yun; Guan, Xiu Li; Yu, Dong Dong

2013-01-01

The immobilized lipase-catalyzed transesterification of Jatropha curcas L. seed oil and methanol for biodiesel production in tert-butanol was investigated. The effects of different tert-butanol volume, methanol molar ratio, reaction temperature, reaction time and immobilized lipase amount on the total conversion were systematically analyzed by response surface methodology (RSM). RSM analysis showed good correspondence between experimental and predicted values. The optimal conditions for the transesterification were a reaction time of 17.355 h, a reaction temperature of 34.868 °C, an immobilized lipase amount of 12.435 %, a methanol molar ratio of 5.282:1, a tert-butanol volume ratio of 0.577:1. The optimal predicted yield of fatty acid methyl esters (FAME) was 88.5 % and the actual value was 88.1 %. The predicted yield of fatty acid esters and the real one was very close, indicating that the RSM based on central composite design (CCD) was adaptable for a FAME study for the present transesterification system. Moreover, the infrared spectrum of biodiesel showed the characteristic bands of C=O, O–C–O, C=C and –(CH_2)n–. Furthermore, GC-linked mass spectrometry showed that biodiesel was mainly composed of the methyl esters of hexadecanoic, 9,12-octadecadienoic and 9-octadecadienoic acid

Investigation on the lean combustion performance of a hydrogen-enriched n-butanol engine

International Nuclear Information System (INIS)

Zhang, Bo; Ji, Changwei; Wang, Shuofeng

2017-01-01

Highlights: • H_2 addition avails improving thermal efficiency of n-butanol engines. • Lean burn limit of n-butanol engine is extended by H_2 addition. • H_2 addition shortens the n-butanol engine combustion duration. • HC and CO from the n-butanol engine are decreased by H_2 addition. - Abstract: n-Butanol is a feasible fuel candidate for spark-ignition engines. The current paper carried out an experiment to explore effects of hydrogen addition on further improving the performance of a n-butanol engine under the part load and lean conditions. Within the test, the engine intake pressure and speed were respectively kept at 61.5 kPa and 1400 rpm. The volumetric fractions of hydrogen in the total intake gas (hydrogen + air) were constrained at 0 and 3%, respectively. Under a certain hydrogen blending level, the global excess air ratio of in-cylinder charge which was changed from the stoichiometric to near the lean burn limit was adjusted by varying the n-butanol injection duration. The experimental results confirmed that the brake thermal efficiency was heightened and the lean burn limit was extended after the hydrogen addition. Besides, compared with the pure n-butanol combustion, the hydrogen enrichment enables the engine to gain dropped ignition delay and rapid combustion duration. Moreover, CO and HC from the pure n-butanol engine were reduced by the hydrogen addition. NOx were generally reduced when the excess air ratio was raised. This suggested that NOx from the hydrogen-enriched butanol engine could also be controlled by lean combustion.

Immunogenicity of the hTERT540-548 peptide in cancer

DEFF Research Database (Denmark)

Wenandy, L.; Sorensen, R.B.; Sengelov, L.

2008-01-01

Human telomerase reverse transcriptase (hTERT), the catalytic subunit of telomerase, is an attractive target antigen for cancer immunotherapy due to its expression in the vast majority of human tumors. The first immunogenic peptide described from hTERT was the HLA-A2-restricted peptide hTERT540...... in a peptide-specific, HLA-A2-restricted fashion. Furthermore, it was described that vaccination of cancer patients with hTERT540 introduced functional antitumor CD8(+) Tcells in patients. More recently, it was described that most patients with cancer have circulating hTERT540-specific CD8(+) T lymphocytes....... In contrast, several other studies have concluded that hTERT540 is not presented on the surface of tumor cells and that immunization of cancer patients with hTERT540 leads to the introduction of specificTcells that do not recognize tumor cells in vivo. In the present commentary, we summarize these highly...

Modular design of metabolic network for robust production of n-butanol from galactose-glucose mixtures.

Science.gov (United States)

Lim, Hyun Gyu; Lim, Jae Hyung; Jung, Gyoo Yeol

2015-01-01

Refactoring microorganisms for efficient production of advanced biofuel such as n-butanol from a mixture of sugars in the cheap feedstock is a prerequisite to achieve economic feasibility in biorefinery. However, production of biofuel from inedible and cheap feedstock is highly challenging due to the slower utilization of biomass-driven sugars, arising from complex assimilation pathway, difficulties in amplification of biosynthetic pathways for heterologous metabolite, and redox imbalance caused by consuming intracellular reducing power to produce quite reduced biofuel. Even with these problems, the microorganisms should show robust production of biofuel to obtain industrial feasibility. Thus, refactoring microorganisms for efficient conversion is highly desirable in biofuel production. In this study, we engineered robust Escherichia coli to accomplish high production of n-butanol from galactose-glucose mixtures via the design of modular pathway, an efficient and systematic way, to reconstruct the entire metabolic pathway with many target genes. Three modular pathways designed using the predictable genetic elements were assembled for efficient galactose utilization, n-butanol production, and redox re-balancing to robustly produce n-butanol from a sugar mixture of galactose and glucose. Specifically, the engineered strain showed dramatically increased n-butanol production (3.3-fold increased to 6.2 g/L after 48-h fermentation) compared to the parental strain (1.9 g/L) in galactose-supplemented medium. Moreover, fermentation with mixtures of galactose and glucose at various ratios from 2:1 to 1:2 confirmed that our engineered strain was able to robustly produce n-butanol regardless of sugar composition with simultaneous utilization of galactose and glucose. Collectively, modular pathway engineering of metabolic network can be an effective approach in strain development for optimal biofuel production with cost-effective fermentable sugars. To the best of our

Volumetric, acoustic, and viscometric studies of molecular interactions in binary mixtures of dipropylene glycol dimethyl ether with 1-alkanols at 298.15 K

International Nuclear Information System (INIS)

Pal, Amalendu; Gaba, Rekha

2008-01-01

In this work densities, ρ, ultrasonic speeds, u, and viscosities, η, have been measured over the whole composition range for the binary mixtures of dipropylene glycol dimethyl ether (DPGDME) with ethanol, 1-propanol, 1-pentanol, and 1-heptanol at 298.15 K along with the properties of the pure components. By using the experimental values of ρ, u, and η, excess molar volume, V m E , deviations in viscosity, Δη, excess free energy of activation for viscous flow, ΔG* E , excess molar isentropic compressibility, K S,m E , deviation of the speeds of sound, u D , from their ideal values u id in an ideal mixtures, apparent molar volume, and apparent molar compressibility, V-bar φ,i 0 and K-bar φ,i 0 of the components at infinite dilution have been calculated. Finally, the experimental viscosity data have been correlated by the methods of Grunberg-Nissan, Hind, Tamura-Kurata, Chaudhry, Auslaender, Heric, and with McAllister correlations

and triorganotin(IV) complexes of 2-tert-butyl-4-methyl phenol

Indian Academy of Sciences (India)

TECS

-2-Me-4) have been synthesized by the reactions of di-n-butyl and dimethyltin dichlorides and tri-n-butyltin(IV) chloride with 2-tert-butyl-4-methylphenol and triethylamine in tetrahydrofuran. The reaction of triphenyltin chloride with trimethylsilyl-2-t-butyl-4- methylphenoxide in the same solvent however, gives a complex of ...

Synthesis and Structure Determination of Di-tert-butyltin (IV) Dithiocarbamate)

International Nuclear Information System (INIS)

Amirah Faizah Abdul Muthalib; Ibrahim Baba; Yang Farina Abdul Aziz; Mohd Wahid Samsudin

2013-01-01

New diorganotin (IV) dithiocarbamate complexes have been synthesized from di-tert-butyltin (IV) dichloride, N-dialkylamine and carbon disulphide. Elemental and gravimetric analysis confirmed the general formula of these complexes as (t- C 4 H 9 ) 2 Sn[S 2 CNR 1 R 2 ] 2 (R 1 = CH 3 , C 2 H 5 , C 7 H 7 dan R 2 = C 2 H 5 , C 6 H 11 , iC 3 H 7 , CH 3 , C 2 H 5 , C 4 H 9 , C 7 H 7 ). The structures of these complexes have been elucidated on the basis of infrared, ultraviolet, 1 H, 13 C and 119 Sn NMR spectroscopy and X-ray crystallography. The infrared spectra of these complexes showed three main peaks for v(C-N), v(C-S) and v(Sn-S) bands that appeared in the region of 1447-1496, 947-988 and 352-370 cm -1 , respectively. The 13 C NMR spectrum showed the chemical shift for ?(N 13 CS 2 ) in the range of 199.1-201.8 ppm. X-ray single crystal structure (C 4 H 9 ) 2 Sn[S 2 CN(CH 3 )(iC 3 H 7 )] 2 demonstrated a six-coordination geometry around the tin atom adopting a monoclinic system with a space group of P2/n with a = 11.2934(11) Angstrom, b = 7.0175(7) Angstrom, c = 15.6894(15) Angstrom; β = 95.016(1) degree. The (N-benzyl-N-ethyl dithiocarbamato)chloride di-tert-butyltin(IV) and (N,N-dibenzyl dithiocarbamato)chloride-di-(tert-butyl)tin(IV) formed a different geometry with one dithiocarbamate ligand and one chlorine atom attached to the tin centre to form a five-coordinate structure. Crystal of (N-benzyl-N-ethyl dithiocarbamato)chloride di-tert-butyltin(IV) adopts a triclinic system with space group of P1 and cell parameter of a = 8.6140 (2) Angstrom, b = 10.9604 (3) Angstrom, c = 11.4765 (3) Angstrom; α = 91.858 (2) degree, β = 96.193 (2) degree, γ = 96.011 (2) degree, while (N,N-dibenzyl dithiocarbamato)chloride-di-(tert-butyl)tin(IV) adopts a monoclinic system with space group of P2 i with cell parameter a = 9.0600 (2) Angstrom, b = 10.9238 (2) Angstrom, c = 12.7845 (3) Angstrom; β= 102.759 (2) degree. (author)

Studies on physical properties of cadmium soaps. Part 2. Conductance behavior in 1-butanol

International Nuclear Information System (INIS)

Varma, R.P.; Virmani, A.K.

1981-01-01

Specific conductance of cadmium soap solutions in 1-butanol has been measured at temperatures 308-323 K. These soaps form micellar aggregates and the c.m.c. which increases with decreasing chain length of the soaps (C 18 -C 5 ) has been found to be independent of temperature. Conductance behavior of soaps is given by the equation: log lambda = A+B log C. log lambda = A+B log C. Constant A decreases with increasing temperature, whereas B is found independent. These constants, however, increase with an increase in the chain length of the soaps. Dissociation constant K, molecular conductance at infinite dilution lamda infinity, activation energy of conductance ΔE lamda, and activation parameters of dissociation ΔH 0 , ΔG 0 and ΔS 0 have been evaluated. (author)

One-Step Nonaqueous Synthesis of Pure Phase TiO2 Nanocrystals from TiCl4 in Butanol and Their Photocatalytic Properties

Directory of Open Access Journals (Sweden)

Tieping Cao

2011-01-01

Full Text Available Pure phase TiO2 nanomaterials were synthesized by an autoclaving treatment of TiCl4 with butanol as a single alcohol source. It was found that the control of molar ratio of TiCl4 to butanol played an important role in determining the TiO2 crystal phase and morphology. A high molar ratio of TiCl4 to butanol favored the formation of anatase nanoparticles, whereas rutile nanorods were selectively obtained at a low molar ratio of TiCl4 to butanol. Evaluation of the photocatalytic activity of the synthesized TiO2 was performed in terms of decomposition of organic dye rhodamine B under ultraviolet irradiation. It turned out that the as-synthesized TiO2 crystallites possessed higher photocatalytic activities toward bleaching rhodamine B than Degussa P25, benefiting from theirhigh surface area, small crystal size as well as high crystallinity.

Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

OpenAIRE

Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

2013-01-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

Voltammetric Determination of Nitro Derivative of Synthetic Antioxidant 2,6-di-tert-butyl-4-methyl-phenol

Czech Academy of Sciences Publication Activity Database

Chýlková, J.; Machalický, O.; Tomášková, M.; Šelešovská, R.; Navrátil, Tomáš

2016-01-01

Roč. 49, č. 1 (2016), s. 92-106 ISSN 0003-2719 R&D Projects: GA ČR(CZ) GAP208/12/1645 Institutional support: RVO:61388955 Keywords : 2,6-di-tert-butyl-4-methyl-phenol * handing drop mercury electrode * nitration Subject RIV: CG - Electrochemistry Impact factor: 1.150, year: 2016

A mesophilic Clostridium species that produces butanol from monosaccharides and hydrogen from polysaccharides.

Science.gov (United States)

Bramono, Sandhi Eko; Lam, Yuen Sean; Ong, Say Leong; He, Jianzhong

2011-10-01

A unique mesophilic Clostridium species strain BOH3 is obtained in this study, which is capable of fermenting monosaccharides to produce butanol and hydrolyzing polysaccharides to produce hydrogen (H(2)) and volatile fatty acids (VFAs). From 30 g/L of glucose and xylose each, batch culture BOH3 was able to produce 4.67 and 4.63 g/L of butanol. Enhancement treatments by increasing the inoculated cells improved butanol production to 7.05 and 7.41 g/L, respectively. Hydrogen production (2.47 and 1.93 mmol) was observed when cellulose and xylan (10 g/L each) were used, suggesting that strain BOH3 possesses xylanolytic and cellulolytic capabilities. These unique features reveal the strain's novelty as most wild-type solventogenic strains have not been reported to have such properties. Therefore, culture BOH3 is promising in generating butanol and hydrogen from renewable feedstock. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

APPLICATION OF PHOTOCATALYTIC PROCESS FOR REMOVAL OF METHYL TERT-BUTYL ETHER FROM HIGHLYCONTAMINATED WATER

Directory of Open Access Journals (Sweden)

A. Mesdaghinia

2007-09-01

Full Text Available The oxygenate methyl tert-butyl ether is added to gasoline to increase the octane level and to reduce carbon monoxide and hydrocarbon emissions by vehicles. The high mobility, water solubility, and resistance to natural attenuation associated with methyl tert-butyl ether may result in contamination of ground and surface waters. In this research the degradation of aqueous methyl tert-butyl ether at relatively high concentrations was investigated by UV-vis/TiO2/H2O2 photocatalytic process. The effect of important operational parameters such as pH, amount of H2O2, catalyst loading, and irradiation time were also studied. Concentrations of methyl tert-butyl ether and intermediates such as tert-butyl formate and tert-butyl alcohol were measured over a 180 min period using a gas chromatograph equipped with flame ionization detector and combined with headspace sampler. Results showed that the time required for complete degradation increased from 30 to 180min, when the initial concentration was increased from 10 to 500mg/L. The first order rate constant for degradation of methyl tert-butyl ether from the hydroxyl radical was estimated to be 0.177 to 0.022 1/min as the concentration increased from 10 to 500mg/L. Study on the overall mineralization monitored by total organic carbon (TOC analysis showed that in the initial concentration of 100mg/L methyl tert-butyl ether, complete mineralization was obtained after 110min under UV-vis/TiO2/H2O2 photocatalytic process.

Solvent (acetone-butanol: ab) production

Science.gov (United States)

This article describes production of butanol [acetone-butanol-ethanol, (also called AB or ABE or solvent)] by fermentation using both traditional and current technologies. AB production from agricultural commodities, such as corn and molasses, was an important historical fermentation. Unfortunately,...

Sustainable hydrogen production from bio-oil model compounds (meta-xylene) and mixtures (1-butanol, meta-xylene and furfural).

Science.gov (United States)

Bizkarra, K; Barrio, V L; Arias, P L; Cambra, J F

2016-09-01

In the present work m-xylene and an equimolecular mixture of m-xylene, 1-butanol and furfural, all of them bio-oil model compounds, were studied in steam reforming (SR) conditions. Three different nickel catalysts, which showed to be active in 1-butanol SR (Ni/Al2O3, Ni/CeO2-Al2O3 and Ni/La2O3-Al2O3), were tested and compared with thermodynamic equilibrium values. Tests were carried out at temperatures from 800 to 600°C at atmospheric pressure with a steam to carbon ratio (S/C) of 5.0. Despite the different bio-oils fed, the amount of moles going through the catalytic bed was kept constant in order to obtain comparable results. After their use, catalysts were characterized by different techniques and those values were correlated with the activity results. All catalysts were deactivated during the SR of the mixture, mainly by coking. The highest hydrogen yields were obtained with Ni/Al2O3 and Ni/CeO2-Al2O3 catalysts in the SR of m-xylene and SR of the mixture, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Enhancing Butanol Production under the Stress Environments of Co-Culturing Clostridium acetobutylicum/Saccharomyces cerevisiae Integrated with Exogenous Butyrate Addition.

Directory of Open Access Journals (Sweden)

Hongzhen Luo

Full Text Available In this study, an efficient acetone-butanol-ethanol (ABE fermentation strategy integrating Clostridium acetobutylicum/Saccharomyces cerevisiae co-culturing system with exogenous butyrate addition, was proposed and experimentally conducted. In solventogenic phase, by adding 0.2 g-DCW/L-broth viable S. cerevisiae cells and 4.0 g/L-broth concentrated butyrate solution into C. acetobutylicum culture broth, final butanol concentration and butanol/acetone ratio in a 7 L anaerobic fermentor reached the highest levels of 15.74 g/L and 2.83 respectively, with the increments of 35% and 43% as compared with those of control. Theoretical and experimental analysis revealed that, the proposed strategy could, 1 extensively induce secretion of amino acids particularly lysine, which are favorable for both C. acetobutylicum survival and butanol synthesis under high butanol concentration environment; 2 enhance the utilization ability of C. acetobutylicum on glucose and over-produce intracellular NADH for butanol synthesis in C. acetobutylicum metabolism simultaneously; 3 direct most of extra consumed glucose into butanol synthesis route. The synergetic actions of effective amino acids assimilation, high rates of substrate consumption and NADH regeneration yielded highest butanol concentration and butanol ratio in C. acetobutylicum under this stress environment. The proposed method supplies an alternative way to improve ABE fermentation performance by traditional fermentation technology.

Substituted 2,2′-bipyridines by nickel-catalysis: 4,4′-di-tert-butyl-2,2′-bipyridine

Science.gov (United States)

Buonomo, Joseph A.; Everson, Daniel A.; Weix, Daniel J.

2014-01-01

A simple, ligand-free synthesis of the important bipyridyl ligand 4,4′-di-tert-butyl-2,2′-bipyridine is presented. 5,5′-bis(trifluoromethyl)-2,2′-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant. PMID:25221358

Combining regio- and enantioselectivity of lipases for the preparation of (R)-4-chloro-2-butanol.

Science.gov (United States)

Méndez, Jonh J; Oromi, Mireia; Cervero, Maria; Balcells, Mercè; Torres, Mercè; Canela, Ramon

2007-01-01

Preparation of 98% ee (R)-4-chloro-2-butanol was carried out by the enzymatic hydrolysis of chlorohydrin esters, using fungal resting cells and commercial enzymes. Hydrolyzes were carried out using lipases from Candida antarctica (Novozym 435), C. rugosa, Rhizomucor miehei (Lipozyme IM), Burkolia cepacia, and resting cells of Rhizopus oryzae and Aspergillus flavus. The influence of the enzyme, the solvent, the temperature, and the alkyl chain length on the selectivity of hydrolyzes of isomeric mixtures of chlorohydrin esters is described. Regioselectivity was higher than 95% for some of the tested lipases. Novozym 435 allowed preparation of the (R)-4-chloro-2-butanol after 15 min of reaction at 30-40 degrees C. (c) 2006 Wiley-Liss, Inc.

Selectivities of rare earth oxide catalysts for dehydration of butanols

International Nuclear Information System (INIS)

Bernal, S.; Trillo, J.M.

1980-01-01

The catalytic dehydration of 2-propanol, 1-butanol, and 2-butanol over La 2 O 3 , CeO 2 , Pr 6 O 11 , Sm 2 O 3 , Eu 2 O 3 , Dy 2 O 3 , Ho 2 O 3 , and Yb 2 O 3 is studied. Because of the gradual variation of the general properties of 4f oxides, the former group has been considered a likely series to analyze the existence of definite correlations between alkene distribution and catalyst properties, often reported in the literature. According to our study, the effect of temperature on product distribution may strongly restrict the validity of such correlations. This point is discussed on the basis of the linear relationships found here between the activation energy (E/sub a/) and the log of the preexponential factor

Thermochemical studies of 4-tert-butylbiphenyl and 4,4'-di-tert-butylbiphenyl

International Nuclear Information System (INIS)

Melkhanova, Svetlana V.; Pimenova, Svetlana M.; Chelovskaya, Nelly V.; Miroshnichenko, Eugenii A.; Pashchenko, Larisa L.; Nesterov, Igor A.; Naumkin, P.V.

2009-01-01

The standard massic energies of compounds of 4-tert-butylbiphenyl and 4,4'-di-tert-butylbiphenyl were measured at T = 298.15 K by static-bomb combustion calorimetry. The standard enthalpies of vaporization, fusion and sublimation were measured in a Calvet microcalorimeter, or by differential scanning calorimetry. The standard molar enthalpies of formation in the condensed and gaseous states were obtained from these data. The tert-butyl group increments for the substitution of one hydrogen atom in a position '4' in biphenyl molecule were calculated

Field evaluation of synthetic lure (3-methyl-1-butanol) when compared to non odor-baited control in capturing Anopheles mosquitoes in varying land-use sites in Madagascar.

Science.gov (United States)

Zohdy, Sarah; Derfus, Kristin; Andrianjafy, Mbolatiana Tovo; Wright, Patricia C; Gillespie, Thomas R

2015-03-07

Malaria is the 4(th) largest cause of mortality in Madagascar. To better understand malaria transmission dynamics, it is crucial to map the distribution of the malaria vectors, mosquitoes belonging to the genus Anopheles. To do so, it is important to have a strong Anopheles-specific lure to ensure the maximum number of captures. Previous studies have isolated volatiles from the human skin microbiota and found the compound 3-methyl-1-butanol to be the most attractive to the malaria mosquito, Anopheles gambiae, in a laboratory setting; and recommended 3-methyl-1-butanol as a compound to increase An. gambiae captures in the field. To date, this compound's ability to lure wild mosquitoes in differing land-use settings has not been tested. In this study, we evaluate the role of the synthetic compound, 3-methyl-1-butanol in combination with field produced CO(2) in attracting Anopheles mosquitoes in varying land-use sites in Madagascar. CDC miniature light traps in combination with field produced CO(2) were deployed in and around six villages near Ranomafana National Park, Madagascar. To test the role of 3-methyl-1-butanol in luring Anopheles mosquitoes, two traps were set in each land-use site (village, agricultural sites, and forested habitats affiliated with each village). One was baited with the synthetic odor and the other was kept as a non-baited control. While 3-methyl-1-butanol baited traps did capture An. gambiae s.l. in this study, we did not find traps baited with synthetic 3-methyl-1-butanol to be more successful in capturing Anopheles mosquitoes, (including Anopheles gambiae s.l.) than the non odor-baited control traps in any of the land-use sites examined; however, regardless of odor bait, trapping near livestock pens resulted in the capture of significantly more Anopheles specimens. A strong synthetic lure in combination with insecticide has great potential as a mosquito control. Our findings suggest that trapping mosquitoes near livestock in malaria

Enhanced bioenergy recovery from oil-extracted microalgae residues via two-step H2/CH4 or H2/butanol anaerobic fermentation.

Science.gov (United States)

Cheng, Hai-Hsuan; Whang, Liang-Ming; Wu, Shu-Hsien

2016-03-01

Algae-based biodiesel is considered a promising alternative energy; therefore, the treatment of microalgae residues would be necessary. Anaerobic processes can be used for treating oil-extracted microalgae residues (OMR) and at the same time for recovering bioenergy. In this study, anaerobic batch experiments were conducted to evaluate the potential of recovering bioenergy, in the forms of butanol, H2, or CH4, from pretreated OMR. Using pretreated OMR as the only substrate, a butanol yield of 0.086 g/g-carbohydrate was obtained at carbohydrate of 40 g/L. With supplemented butyrate, a highest butanol yield of 0.192 g/g-carbohydrate was achieved at pretreated OMR containing 25 g/L of carbohydrate with 15 g/L of butyrate addition, attaining the highest energy yield of 3.92 kJ/g-OMR and energy generation rate of 0.65 kJ/g-OMR/d. CH4 production from pretreated OMR attained an energy yield of 8.83 kJ/g-OMR, but energy generation rate required further improvement. H2 production alone from pretreated OMR might not be attractive regarding energy yield, but it attained a superb energy generation rate of 0.68 kJ/g-OMR/d by combining H2 production from pretreated OMR and butanol production from pretreated OMR with supplementary butyrate from H2 fermentation supernatant. This study demonstrated an integrated system as an option for treating OMR and recovering bioenergy. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimization of transparent and reflecting electrodes for amorphous silicon solar cells. Annual subcontract report, 1 May 1991--30 April 1992

Energy Technology Data Exchange (ETDEWEB)

Gordon, R.G. [Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry

1993-04-01

This report describes work to improve the performance of solar cells by improving the electrical and optical properties of their transparent conducting oxides (TCO) layers. Boron-doped zinc-oxide films were deposited by atmospheric pressure chemical vapor deposition in a laminar-flow reactor from diethyl zinc, tert-butanol, and diborane in the temperature range between 300{degrees}C and 420{degrees}C. When the deposition temperature was above 320{degrees}C, both doped and undoped films have highly oriented crystallites with their c-axes perpendicular to the substrate plane. Films deposited from 0.07% diethyl zinc and 2.4% tert-butanol have electron densities between 3.5 {times} 10{sup 20} cm{sup {minus}3} and 5.5 {times} 10{sup 20} cm{sup {minus}3}, conductivities between 250 {Omega}{sup {minus}1} and 2500 {Omega}{sup {minus}1} and mobilities between 2.5 cm{sup 2}/V-s and 35.0 cm{sup 2}/V-s, depending on dopant concentration, film thickness, and deposition temperature. Optical measurements show that the maximum infrared reflectance of the doped films is close to 90%, compared to about 20% for undoped films. Film visible absorption and film conductivity were found to increase with film thickness. The ratio of conductivity to visible absorption coefficient for doped films was between 0.1 {Omega} and 1.1 {Omega}{sup {minus}1}. The band gap of the film changes from 3.3 eV to 3.7 eV when the film is doped with 0.012% diborane.

Electrochemical oxidation of 3,5-di-tert-butylcatechol: Synthesis and characterization of the formed ortho-benzoquinhydrone derivative

International Nuclear Information System (INIS)

Nematollahi, D.; Shayani-Jam, H.

2006-01-01

Electrochemical oxidation of 3,5-di-tert-butylcatechol (1) has been studied in ethanol/water mixtures by means of cyclic voltammetry and controlled-potential coulometry. The results revealed that 3,5-di-tert-butyl-1,2-benenzoquinone (2) derived from oxidation of 3,5-di-tert-butylcatechol participate in noncovalently linked interactions with 1 converted to an ortho-benzoquinhydrone (3). The structure of 3 was characterized by MS, IR, 1 H NMR and 13 C NMR. The 1 H NMR studies reveal that the benzoquinhydrone complex 3 is stabilized by one H-bonding interaction. In this work we derived a novel ortho-bezoquinhydrone type complex (3) based on electrochemical oxidation of 3,5-di-tert-butylcatechol at carbon electrode in an undivided cell

Magnetocaloric properties of manganese(III) porphyrins bearing 2,6-di-tert-butylphenol groups

Energy Technology Data Exchange (ETDEWEB)

Korolev, V.V., E-mail: vvk@isc-ras.ru [G. A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya str., 1, Ivanovo 153045 (Russian Federation); Lomova, T.N.; Maslennikova, A.N.; Korolev, D.V. [G. A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya str., 1, Ivanovo 153045 (Russian Federation); Shpakovsky, D.B.; Zhang, Jianwei; Milaeva, E.R. [Lomonosov Moscow State University, Department of Medicinal Chemistry and Fine Organic Synthesis, Moscow 119991 (Russian Federation)

2016-03-01

Magnetocaloric effect (MCE) and heat capacity during the magnetization of (5,10,15,20-tetrakis(3,5-di-tert-butyl-4-hydroxyphenyl)porphynato) manganese (III) chloride (1), (5-(4-hydroxyphenyl)-10,15,20-tris(3,5-di-tert-butyl-4-hydroxyphenyl) porphynato) manganese (III) chloride (2), and (5-(4-palmitoyloxyphenyl)-10,15,20-tris(3,5-di-tert-butyl-4-hydroxyphenyl) porphynato) manganese (III) chloride (3) in their aqueous suspensions were determined by the microcalorimetric method over the temperature range of 278–320 K and in magnetic fields from 0 to 1 T. MCE was positive for all complexes studied, i.e. the magnetic field impression under adiabatic conditions led to an increase in temperature of the complexes suspensions. MCE increased with an increase in the magnetic field induction at all temperatures studied. Dependences of MCE on temperature had weak maxima at 298 K at all magnetic induction values. The disturbance of the intermolecular hydrogen-bonding of hydroxyl groups is one of probable reasons for such dependences type. MCE values increased under the palmitoyl substituent incorporation into one of the phenol groups at all temperatures. The heat capacity of the studied complexes rose slightly with temperature growth. Dependences of the heat capacity on temperature showed that the magnetic component of the heat capacity did not appear due to the presence of the manganese atom acting as a paramagnetic center in complexes 1, 2, and 3. The relation between the complexes structure and their magnetothermal properties was analyzed. It was justified that the changes of magnetothermal properties were caused by electronic substitution effects and, to an even greater degree, by the conditions of intermolecular hydrogen bonds formation in the paramagnetic materials. - Highlights: • The magnetocaloric effect and heat capacity of 3 manganese porphyrin were determined. • Temperature dependences of magnetocaloric effect has been studied. • The relation between the

Improving the Safety of Lithium-Ion Battery via a Redox Shuttle Additive 2,5-Di- tert-butyl-1,4-bis(2-methoxyethoxy)benzene (DBBB).

Science.gov (United States)

Leonet, Olatz; Colmenares, Luis C; Kvasha, Andriy; Oyarbide, Mikel; Mainar, Aroa R; Glossmann, Tobias; Blázquez, J Alberto; Zhang, Zhengcheng

2018-03-21

2,5-Di- tert-butyl-1,4-bis(2-methoxyethoxy)benzene (DBBB) is studied as a redox shuttle additive for overcharge protection for a 1.5 Ah graphite/C-LFP lithium-ion pouch cell for the first time. The electrochemical performance demonstrated that the protecting additive remains inert during the extended standard cycling for 4000 cycles. When a 100% overcharge is introduced in the charging protocol, the baseline cell fails rapidly during the first abusive event, whereas the cell containing DBBB additive withstands 700 overcharge cycles with 87% capacity retention and no gas evolution or cell swelling was observed. It is the first time the effectiveness of the DBBB as overcharge protection additive in a large pouch cell format is demonstrated.

Comparison of stabilization by Vitamin E and 2,6-di-tert-butylphenols during polyethylene radio-thermal-oxidation

International Nuclear Information System (INIS)

Richaud, Emmanuel

2014-01-01

This paper reports a compilation of data for PE+Vitamin E and 2,6-di-tert-butylphenols oxidation in radio-thermal ageing. Data unambiguously show that Vitamin E reacts with P · and POO · whereas 2,6-di-tert-butyl phenols only react with POO · . Kinetic parameters of the stabilization reactions for both kinds of antioxidants were tentatively extracted from phenol depletion curves, and discussed regarding the structure of the stabilizer. They were also used for completing an existing kinetic model used for predicting the stabilization by antioxidants. This one permits to compare the efficiency of stabilizer with dose rate or sample thickness. - Highlights: • Radio-thermal oxidation of PE+phenolic antioxidants. • Comparison of Vitamin E and 2,6-di-tert-butylphenols. • Kinetic modeling for predicting practical cases

Intermediate species measurement during iso-butanol auto-ignition

KAUST Repository

Ji, Weiqi

2015-10-01

© 2015 The Combustion Institute.Published by Elsevier Inc. All rights reserved. This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O2 mixture with an inert/O2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, iso-butyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts iso-butene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2. Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al.

Intermediate species measurement during iso-butanol auto-ignition

KAUST Repository

Ji, Weiqi; Zhang, Peng; He, Tanjin; Wang, Zhi; Tao, Ling; He, Xin; Law, Chung K.

2015-01-01

© 2015 The Combustion Institute.Published by Elsevier Inc. All rights reserved. This work presents the time histories of intermediate species during the auto-ignition of iso-butanol at high pressure and intermediate temperature conditions obtained using a rapid compression machine and recently developed fast sampling system. Iso-butanol ignition delays were acquired for iso-butanol/O2 mixture with an inert/O2 ratio of 7.26, equivalence ratio of 0.4, in the temperature range of 840-950 K and at pressure of 25 bar. Fast sampling and gas chromatography were used to acquire and quantify the intermediate species during the ignition delay of the same mixture at P = 25.3 bar and T = 905 K. The ignition delay times and quantitative measurements of the mole fraction time histories of methane, ethene, propene, iso-butene, iso-butyraldehyde, iso-butanol, and carbon monoxide were compared with predictions from the detailed mechanisms developed by Sarathy et al., Merchant et al., and Cai et al. It is shown that while the Sarathy mechanism well predicts the overall ignition delay time, it overpredicts ethene by a factor of 6-10, underpredicts iso-butene by a factor of 2, and overpredicts iso-butyraldehyde by a factor of 2. Reaction path and sensitivity analyses were carried out to identify the reactions responsible for the observed inadequacy. The rates of iso-butanol hydrogen atom abstraction by OH radical and the beta-scission reactions of hydroxybutyl radicals were updated based on recently published quantum calculation results. Significant improvements were achieved in predicting ignition delay at high pressures (25 and 30 bar) and the species concentrations of ethene and iso-butene. However, the updated mechanism still overpredicts iso-butyraldehyde concentrations. Also, the updated mechanism degrades the prediction in ignition delay at lower pressure (15 bar) compared to the original mechanism developed by Sarathy et al.

DOMESTIC BUTANOL-PRODUCING STRAINS OF THE Clostridium GENUS

Directory of Open Access Journals (Sweden)

O. O. Tigunova

2017-02-01

Full Text Available The aim of the work was to summarize the results of own research concerning obtaining butanol producing strains of Clostridium genus, to identify them by physiological, morphological and genetic methods. Further study of characteristics and biological features of the strains, and various approaches in biotechnological process of butanol production are discussed. The work includes methods to increase butanol accumulation by producer strains. Perspectives of using chemical mutagenesis in Clostridia as a method of increasing butanol production are considered. The feasibility of using non-food raw material as a substrate for fermentation is discussed. Different methods of pretreatment and their impact on the accumulation of butanol in the liquid medium are compared. Butanol accumulation is shown to increase significantly if the synthesis precursors are added as components of enzymatic medium, and the “reverse bard” is used to reduce waste production without affecting the level of butanol synthesis. The problem of conservation of producing strains is given, and protective medium for microorganisms during the freeze-drying is defined.

Constitutive expression of tert in thymocytes leads to increased incidence and dissemination of T-cell lymphoma in Lck-Tert mice.

Science.gov (United States)

Canela, Andrés; Martín-Caballero, Juan; Flores, Juana M; Blasco, María A

2004-05-01

Here we describe a new mouse model with constitutive expression of the catalytic subunit of telomerase (Tert) targeted to thymocytes and peripheral T cells (Lck-Tert mice). Two independent Lck-Tert mouse lines showed higher incidences of spontaneous T-cell lymphoma than the corresponding age-matched wild-type controls, indicating that constitutive expression of Tert promotes lymphoma. Interestingly, T-cell lymphomas in Lck-Tert mice were more disseminated than those in wild-type controls and affected both lymphoid and nonlymphoid tissues, while nonlymphoid tissues were never affected with lymphoma in age-matched wild-type controls. Importantly, these roles of Tert constitutive expression in promoting tumor progression and dissemination were independent of the role of telomerase in telomere length maintenance, since telomere length distributions on a single-cell basis were identical in Lck-Tert and wild-type thymocytes. Finally, Tert constitutive expression did not interfere with telomere capping in Lck-Tert primary thymocytes, although it resulted in greater chromosomal instability upon gamma irradiation in Lck-Tert primary lymphocytes than in controls, suggesting that Tert overexpression may interfere with the cellular response to DNA damage.

{2,6-Bis[(di-tert-butyl-phosphino)-methyl]-phenyl}chloridonickel(II).

Science.gov (United States)

Boro, Brian J; Dickie, Diane A; Goldberg, Karen I; Kemp, Richard A

2008-09-20

In the title compound, [Ni(C(24)H(43)P(2))Cl], the Ni atom adopts a distorted square-planar geometry, with the P atoms of the 2,6-bis-[(di-tert-butyl-phosphino)meth-yl]phenyl ligand trans to one another. The P-Ni-P plane is twisted out of the plane of the aromatic ring by 21.97 (6)°.

The neuroprotective role and mechanisms of TERT in neurons with oxygen-glucose deprivation.

Science.gov (United States)

Li, J; Qu, Y; Chen, D; Zhang, L; Zhao, F; Luo, L; Pan, L; Hua, J; Mu, D

2013-11-12

Telomerase reverse transcriptase (TERT) is reported to protect neurons from apoptosis induced by various stresses including hypoxia-ischemia (HI). However, the mechanisms by which TERT exerts its anti-apoptotic role in neurons with HI injury remain unclear. In this study, we examined the protective role and explored the possible mechanisms of TERT in neurons with HI injury in vitro. Primary cultured neurons were exposed to oxygen and glucose deprivation (OGD) for 3h followed by reperfusion to mimic HI injury in vivo. Plasmids containing TERT antisense, sense nucleotides, or mock were transduced into neurons at 48h before OGD. Expression and distribution of TERT were measured by immunofluorescence labeling and western blot. The expression of cleaved caspase 3 (CC3), Bcl-2 and Bax were detected by western blot. Neuronal apoptosis was measured with terminal deoxynucleotidyl transferase-mediated dUTP nick end-labeling (TUNEL). The mitochondrial reactive oxygen species (ROS) were measured by MitoSOX Red staining. Fluorescent probe JC-1 was used to measure the mitochondrial membrane potential (ΔΨm). We found that TERT expression increased at 8h and peaked at 24h in neurons after OGD. CC3 expression and neuronal apoptosis were induced and peaked at 24h after OGD. TERT inhibition significantly increased CC3 expression and neuronal apoptosis after OGD treatment. Additionally, TERT inhibition decreased the expression ratio of Bcl-2/Bax, and enhanced ROS production and ΔΨm dissipation after OGD. These data suggest that TERT plays a neuroprotective role via anti-apoptosis in neurons after OGD. The underlying mechanisms may be associated with regulating Bcl-2/Bax expression ratio, attenuating ROS generation, and increasing mitochondrial membrane potential. Copyright © 2013 IBRO. Published by Elsevier Ltd. All rights reserved.

Phase Diagrams of Electrostatically Self-Assembled Amphiplexes

Energy Technology Data Exchange (ETDEWEB)

V Stanic; M Mancuso; W Wong; E DiMasi; H Strey

2011-12-31

We present the phase diagrams of electrostatically self-assembled amphiplexes (ESA) comprised of poly(acrylic acid) (PAA), cetyltrimethylammonium chloride (CTACl), dodecane, pentanol, and water at three different NaCl salt concentrations: 100, 300, and 500 mM. This is the first report of phase diagrams for these quinary complexes. Adding a cosurfactant, we were able to swell the unit cell size of all long-range ordered phases (lamellar, hexagonal, Pm3n, Ia3d) by almost a factor of 2. The added advantage of tuning the unit cell size makes such complexes (especially the bicontinuous phases) attractive for applications in bioseparation, drug delivery, and possibly in oil recovery.

Degradation of n-butylparaben and 4-tert-octylphenol in H2O2/UV system

International Nuclear Information System (INIS)

BLedzka, Dorota; Gryglik, Dorota; Olak, Magdalena; Gebicki, Jerzy L.; Miller, Jacek S.

2010-01-01

The degradation of two endocrine disrupting compounds: n-butylparaben (BP) and 4-tert-octylphenol (OP) in the H 2 O 2 /UV system was studied. The effect of operating variables: initial hydrogen peroxide concentration, initial substrate concentration, pH of the reaction solution and photon fluency rate of radiation at 254 nm on reaction rate was investigated. The influence of hydroxyl radical scavengers, humic acid and nitrate anion on reaction course was also studied. A very weak scavenging effect during BP degradation was observed indicating reactions different from hydroxyl radical oxidation. The second-order rate constants of BP and OP with OH radicals were estimated to be 4.8x10 9 and 4.2x10 9 M -1 s -1 , respectively. For BP the rate constant equal to 2.0x10 10 M -1 s -1 was also determined using water radiolysis as a source of hydroxyl radicals.

Photovoltaic Performance and Characteristics of Dye-Sensitized Solar Cells Prepared with the N719 Thermal Degradation Products Ru(LH)(2)(NCS)(4-tert-butylpyridine) N(Bu)(4) and Ru(LH)(2)(NCS)(1-methylbenzimidazole) N(Bu)(4)

DEFF Research Database (Denmark)

Nguyen, P. T.; Binh, X. T. L.; Andersen, A. R.

2011-01-01

The dye-sensitized solar cell N719 thermal degradation products [Ru(LH)(2)(NCS)(4-tert-butylpyridine)][N(Bu)(4)] (1) and [Ru(LH)(2)(NCS)(1-methylbenzimidazole)][N(Bu)(4)] (2) were synthesized from [Ru(LH)(2)(NCS)(2)][N(Bu)(4)](2) (N719), (L = 2,2'-bipyridyl-4,4'-dicarboxylic acid) and characterized...

Isothermal Vapour-Liquid Equilibria in the Ternary System tert-Butyl Methyl Ether + tert-Butanol + 2,2,4-Trimethylpentane and the Three Binary Subsystems

Czech Academy of Sciences Publication Activity Database

Bernatová, Svatoslava; Wichterle, Ivan

2001-01-01

Roč. 180, 1-2 (2001), s. 235-245 ISSN 0378-3812 R&D Projects: GA ČR GA104/99/0136 Institutional research plan: CEZ:AV0Z4072921 Keywords : vapourůliquid equilibrium * experimental data * molar excess volume Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.217, year: 2001

Thermochemical studies of 4-tert-butylbiphenyl and 4,4'-di-tert-butylbiphenyl

Energy Technology Data Exchange (ETDEWEB)

Melkhanova, Svetlana V. [Chemistry Department, Moscow State University, Leninskie Gory 1, Bl.3, Moscow 119992 (Russian Federation)], E-mail: melkhan@phys.chem.msu.ru; Pimenova, Svetlana M.; Chelovskaya, Nelly V. [Chemistry Department, Moscow State University, Leninskie Gory 1, Bl.3, Moscow 119992 (Russian Federation); Miroshnichenko, Eugenii A. [Institute of Chemical Physics RAS, Kosygina 4, Moscow 117977 (Russian Federation); Pashchenko, Larisa L. [Chemistry Department, Moscow State University, Leninskie Gory 1, Bl.3, Moscow 119992 (Russian Federation); Institute of Chemical Physics RAS, Kosygina 4, Moscow 117977 (Russian Federation); Nesterov, Igor A.; Naumkin, P.V. [Samara State Technical University, Galaktionovskaya 141, Samara 443010 (Russian Federation)

2009-05-15

The standard massic energies of compounds of 4-tert-butylbiphenyl and 4,4'-di-tert-butylbiphenyl were measured at T = 298.15 K by static-bomb combustion calorimetry. The standard enthalpies of vaporization, fusion and sublimation were measured in a Calvet microcalorimeter, or by differential scanning calorimetry. The standard molar enthalpies of formation in the condensed and gaseous states were obtained from these data. The tert-butyl group increments for the substitution of one hydrogen atom in a position '4' in biphenyl molecule were calculated.

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.

Emission, efficiency, and influence in a diesel n-butanol dual-injection engine

International Nuclear Information System (INIS)

Zhu, Yanchun; Chen, Zheng; Liu, Jingping

2014-01-01

Highlights: • Dual-injection combustion for diesel n-butanol dual-fuel is investigated. • Higher EGR rate results in lower NOx and ITE, but higher smoke, HC and CO. • Larger butanol fraction results in lower smoke and ITE, but higher NOx, HC and CO. • Advanced injection can decrease smoke, HC and CO, and increase ITE. • Coupling of butanol fraction, EGR and injection timing makes for a better performance. - Abstract: In this work, a dual-injection combustion mode for diesel n-butanol dual-fuel, combined direct injection (DI) of diesel with port fuel injection (PFI) of n-butanol, was introduced. Effects of n-butanol fraction, EGR rate and injection timing on this mode were studied on a modified single-cylinder diesel engine at the speed of 1400 r/min and the IMEP of 1.0 MPa. The results indicate that with increased EGR rate, NOx emissions reduce, but smoke emissions increase. As n-butanol fraction is increased, smoke emissions decrease with a small increase in NOx. However, higher HC and CO emissions, higher indicated specific fuel consumption (ISFC) and lower indicated thermal efficiency (ITE) have to be paid with increased n-butanol fraction, especially at high EGR condition. Advancing diesel injection timing suitably has the capacity of mitigating those costs and further decreasing smoke emissions with a small penalty in NOx emissions. Coupling of large butanol fraction, high EGR rate, and advanced injection suitably contributes to a better balance between emissions and efficiency in the diesel n-butanol dual-injection engine

Electrochemistry and spectroelectrochemistry of tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine, Lu{sub 2}Pc{sub 4} and dimeric lutetium(III) phthalocyanine, Lu{sub 2}Pc{sub 2}(OAc){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Koca, Atif [Chemical Engineering Department, Engineering Faculty, Marmara University, TR34722 Goeztepe, Istanbul (Turkey); Ceyhan, Tanju; Erbil, Mehmet K. [Department of Biochemistry, Division of Organic Chemistry, Guelhane Medical Academy (GATA), Ankara (Turkey); Ozkaya, Ali Riza [Department of Chemistry, Marmara University, TR34722 Goeztepe, Istanbul (Turkey)], E-mail: aliozkaya@marmara.edu.tr; Bekaroglu, Ozer [Department of Chemistry, Technical University of Istanbul, TR34469 Maslak, Istanbul (Turkey)], E-mail: obek@itu.edu.tr

2007-11-09

In this study, electrochemical, electrochromic and spectroelectrochemical properties of a tert-butylcalix[4]arene bridged bis double-decker lutetium(III) phthalocyanine (Lu{sub 2}Pc{sub 4}2) were investigated explicitly as compared with a tert-butylcalix[4]arene bridged dimeric lutetium(III) phthalocyanine [Lu{sub 2}Pc{sub 2}(OAc){sub 2}1]. Distinctive differences between electrochemical and electrochromic properties of 1 and 2 were detected. Moreover, the properties of 1 and 2 were compared with previously reported S{sub 4}(CH{sub 2}){sub 4} bridged Lu{sub 2}Pc{sub 2}(OAc){sub 2} and Lu{sub 2}Pc{sub 4}. The calixarene bridged phthalocyanine (Pc) compounds, 1 and 2 showed well-defined electrochromic behaviour with green-blue and blue-purple colour transitions. The enhanced electrochromic properties of 2, as compared to 1, were attributed to its double-decker structure, probably allowing the formation of suitable ion channels for the counter ion movement in the solid film.

Densities, viscosities, and isobaric heat capacities of the system (1-butanol + cyclohexane) at high pressures

International Nuclear Information System (INIS)

Torín-Ollarves, Geraldine A.; Martín, M. Carmen; Chamorro, César R.; Segovia, José J.

2014-01-01

Highlights: • The densities of cyclohexane and its mixtures with 1-butanol were measured. • The excess molar volumes were calculated and correlated. • The viscosities were measured at atmospheric pressure. • The isobaric heat capacities were measured at p = (0.1 to 25) MPa at T = (293.15 and 313.15) K. • A positive deviation from the ideal behavior is observed. - Abstract: The cyclohexane and the system of 1-butanol + cyclohexane have been characterized using densities, viscosities and isobaric heat capacities measurements. For that, the densities were measured in a high-pressure vibrating tube densimeter at five temperatures from (293.15 to 333.15) K and pressures up to 100 MPa. The measurements were correlated with the empirical Tamman–Tait equation. Moreover, the isobaric heat capacities of the binary system were measured in a high-pressure automated flow calorimeter at T = (293.15 and 313.15) K and pressures up to 25 MPa for pure cyclohexane and in admixture with 1-butanol. The excess molar heat capacities were assessed for the mixture and a positive deviation from the ideality was obtained, except for a small part in the region rich in alkanol. The viscosity measurements were carried out, at the calorimeter conditions, for correcting the experimental values of isobaric heat capacities due to friction along the tube. The viscosity was measured at atmospheric pressure in a Stabinger Anton Paar SVM 3000 viscometer in the temperature range of (293.15 to 333.15) K for cyclohexane and the mixtures. At high pressure, the viscosities were estimated using Lucas method

Absorption, Distribution, and Clearanace o f2,6-Di-tert-Butyl-4-nitrophenol (DBNP)

National Research Council Canada - National Science Library

Still, K

2002-01-01

.... DBNP is produced when oil mist from synthetic steam turbine lubricants containing the antioxidant 2,6-Di-tert-butylphenol is nitrated during passage through the submarine air filtration system...

Synthesis, Crystal Growth, Spectroscopic and Electrical Properties of 5-tert-Butyl-1,2,3-trinitrobenzene

Directory of Open Access Journals (Sweden)

S. Sahaya Jude Dhas

2013-01-01

Full Text Available 5-tert-Butyl-1,2,3-trinitrobenzene (TBTB was synthesized and characterized by NMR so as to confirm the structure. Single crystals were obtained from methanol by solvent evaporation technique at room temperature. Optically transparent single crystals with dimension up to 17×4×3 mm3 have been grown by submerged seed solution method within a period of 30 days. The modes of vibration of different molecular groups present in the title compound were identified by FTIR and FT-Raman spectral analyses, and it was found with the tabulation that both of the spectral vibrations are very close to each other confirming the existence of specific functional groups in the crystal. Optical behaviour of the crystal was analyzed by UV-Vis absorption studies, and the value of the optical band gap energy (Eg of the crystal has been determined using the optical absorption spectrum. The dielectric behaviour and AC conductivity of the grown crystals were also analyzed, and it is shown that both properties vary with respect to frequency and do not vary in accordance with temperature.

N-(4-Methoxyphenyl-tert-butanesulfinamide

Directory of Open Access Journals (Sweden)

Mrityunjoy Datta

2009-11-01

Full Text Available In the title compound, C11H17NO2S, the molecules interact head-to-tail through N—H...OS hydrogen bonds, giving discrete centrosymmetric cyclic dimers. The N—Caryl bond length [1.4225 (14 Å] is intermediate between that in N-phenyl-tert-butanesulfinamide [1.4083 (12 Å] and the N—Calkyl bond lengths in N-alkylalkanesulfinamides (1.470–1.530 Å, suggesting weaker delocalization of electrons over the N atom and the aromatic ring due to the presence of the 4-methoxy group.

Enzymology of acetone-butanol-isopropanol formation. Final technical report, June 1, 1985--July 31, 1997

Energy Technology Data Exchange (ETDEWEB)

Chen, Jiann-Shin

1998-03-01

Several species of anaerobic bacteria within the genus Clostridium produce acetone, n-butanol, and isopropanol (solvents), which are important industrial chemicals and fuel additives. Commercial production of solvents by the clostridia is a classical example of largescale chemical production by bacterial fermentation. Although the fermentation has been in use for decades, it still faces problems that include strain degeneration, a relatively low final product concentration due to butanol toxicity, and a need to fine-tune the growth conditions to achieve a high yield. The long-term goal of this project was to understand the fundamental properties of bacterial solvent production for the purpose of achieving a positive control on the metabolic switch leading to solvent production and on the proportion of useful products formed as well as of developing strategies for preventing the degeneration of producing strains. The objectives for the project included those approved in 1985 for the initial project period and those approved in 1988, 1991, and 1994 when the project was renewed. The objectives for the entire project period may be summarized as (1) To purify and characterize the enzymes that are specifically required for the formation of acetone, butanol, and isopropanol by the clostridia, (2) To clone and characterize the genes that encode enzymes or regulatory proteins for the production of solvents, and the emphasis was to determine the control mechanism for the transcription of the solvent-production genes, (3) To characterize the onset of solvent production and the intra- and extra-cellular parameters surrounding the metabolic switch to solvent production, and (4) To determine the genetic identity of the strains of solvent-producing clostridia that are currently in use by investigators around the world.

Reaction of singlet-excited 2,3-diazabicyclo[2.2.2]oct-2-ene and tert-butoxyl radicals with aryl-substituted benzofuranones.

Science.gov (United States)

Lundgren, Cecilia Vannesjö; Koner, Apurba L; Tinkl, Michael; Pischel, Uwe; Nau, Werner M

2006-03-03

5,7-Di-tert-butyl-3-aryl-3H-benzofuran-2-ones are lactones with potential antioxidant activity, owing to their abstractable benzylic C-H hydrogens. The fluorescence quenching of the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO), an established probe for the hydrogen-donor propensity of chain-breaking antioxidants, was investigated for 16 aryl-substituted benzofuranone derivatives [m,m-(CF3)2, p-CN, m-CN, p-CF3, p-COOCH3, m-CF3, p-Cl, p-F, H, m-CH3, p-CH3, m,p-(CH3)2, p-OCH3, o-CH3, o-CF3, o,m-(CH3)2]. Analysis of the rate data in terms of a linear free energy relationship yielded a reaction constant of rho = +0.35. This implies that n,pi*-excited DBO acts as nucleophilic species. In contrast, hydrogen abstraction of tert-butoxyl radicals from the benzofuranones was accelerated by electron-donating substituents (rho = -0.23), in conformity with the electrophilic character of oxygen-centered alkoxyl radicals. Possible implications for the optimization of the hydrogen-donor propensity of antioxidants through structural variation are discussed.

3,3′-Di-tert-butyl-1,1′-[1,3-phenylenebis(methylene]diurea

Directory of Open Access Journals (Sweden)

Md. Alamgir Hossain

2010-03-01

Full Text Available The title compound, C18H30N4O2, contains two tert-butyl urea groups, each connected to a benzene ring though a methylene group. One of the groups occupies a position almost normal to the aromatic plane with a C—N—C—C torsion angle of −94.4 (4°, while the other is considerably twisted from the ring with a C—N—C—C torsion angle of −136.1 (4°. In the crystal, pairs of molecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one molecule act as hydrogen-bond donors to one carbonyl O atom of the other molecule. The dimers are linked into sheets parallel to (100 by N—H...O hydrogen bonds involving the remaining N—H and C=O groups.

(3-Aminopropyl)-4-methylpiperazine End-capped Poly(1,4-butanediol diacrylate-co-4-amino-1-butanol)-based Multilayer Films for Gene Delivery

Science.gov (United States)

Li, Cuicui; Tzeng, Stephany Y; Tellier, Liane E.; Green, Jordan J

2013-01-01

Biodegradable polyelectrolyte surfaces for gene delivery were created through electrospinning of biodegradable polycations combined with iterative solution-based multilayer coating. Poly(β-amino ester) (PBAE) poly(1,4-butanediol diacrylate-co-4-amino-1-butanol) end-capped with 1-(3-aminopropyl)-4-methylpiperazine was utilized due to its ability to electrostatically interact with anionic molecules like DNA, its biodegradability, and its low cytotoxicity. A new DNA release system was developed for sustained release of DNA over 24 hours, accompanied by high exogenous gene expression in primary human glioblastoma (GB) cells. Electrospinning a different PBAE, poly(1,4-butanediol diacrylate-co-4,4′-trimethylenedipiperidine), and its combination with polyelectrolyte 1-(3-aminopropyl)-4-methylpiperazine end-capped poly(1,4-butanediol diacrylate-co-4-amino-1-butanol)-based multilayers are promising for DNA release and intracellular delivery from a surface. PMID:23755861

(3-aminopropyl)-4-methylpiperazine end-capped poly(1,4-butanediol diacrylate-co-4-amino-1-butanol)-based multilayer films for gene delivery.

Science.gov (United States)

Li, Cuicui; Tzeng, Stephany Y; Tellier, Liane E; Green, Jordan J

2013-07-10

Biodegradable polyelectrolyte surfaces for gene delivery were created through electrospinning of biodegradable polycations combined with iterative solution-based multilayer coating. Poly(β-amino ester) (PBAE) poly(1,4-butanediol diacrylate-co-4-amino-1-butanol) end-capped with 1-(3-aminopropyl)-4-methylpiperazine was utilized because of its ability to electrostatically interact with anionic molecules like DNA, its biodegradability, and its low cytotoxicity. A new DNA release system was developed for sustained release of DNA over 24 h, accompanied by high exogenous gene expression in primary human glioblastoma (GB) cells. Electrospinning a different PBAE, poly(1,4-butanediol diacrylate-co-4,4'-trimethylenedipiperidine), and its combination with polyelectrolyte 1-(3-aminopropyl)-4-methylpiperazine end-capped poly(1,4-butanediol diacrylate-co-4-amino-1-butanol)-based multilayers are promising for DNA release and intracellular delivery from a surface.

Involvement of reversible binding to alpha 2u-globulin in 1,4-dichlorobenzene-induced nephrotoxicity.

Science.gov (United States)

Charbonneau, M; Strasser, J; Lock, E A; Turner, M J; Swenberg, J A

1989-06-01

Similarly to unleaded gasoline, 1,4-dichlorobenzene (1,4-DCB) administered for 2 years caused a dose-related increase in the incidence of renal tumors in male but not in female rats or in either sex of mice. Unleaded gasoline and 2,2,4-trimethylpentane (TMP), a component of unleaded gasoline, increased protein droplet formation and cell proliferation in male but not in female rat kidneys. These protein droplets contained, alpha 2u-globulin, a male rat-specific low-molecular-weight protein and 2,4,4-trimethyl-2-pentanol, a metabolite of TMP that was reversibly bound to this protein. Studies were undertaken to determine if 1,4-DCB produced similar effects; 1,2-DCB was used for comparison since it did not produce renal carcinogenesis in male rats. Gel filtration chromatography of a 116,000g supernatant prepared from kidneys of 1,4-[14C]DCB-treated rats showed that radiolabel coeluted with alpha 2u-globulin as one sharp peak as opposed to a multipeak pattern observed for 1,2-[14C]DCB; the maximal quantity of radiolabel for 1,4-DCB was twice that for 1,2-DCB. Equilibrium dialysis of kidney cytosol in the presence or absence of sodium dodecyl sulfate demonstrated that the radiolabel was reversibly bound to alpha 2u-globulin; the amount for 1,4-[14C]DCB-treated rats was almost twice as much as that for 1,2-[14C]DCB-treated rats. 1,2-DCB was also shown to be covalently bound to renal alpha 2u-globulin, and covalently bound to liver and plasma high-molecular-weight proteins. 1,4-DCB and, to a minor extent, 2,5-dichlorophenol, the major metabolite of 1,4-DCB, were reversibly bound to renal alpha 2u-globulin from 1,4-DCB-treated rats. 1,4-DCB increased protein droplet formation in male but not in female rat kidneys, whereas equimolar doses of 1,2-DCB showed no effect in either sex. Renal cell proliferation, measured by [3H]thymidine incorporation into renal DNA, was increased after 1,4-DCB but not after 1,2-DCB treatment. Nephrotoxicity and biochemical alterations induced by

Reaction of biscyclopentadienyl molybdendihalides with tert.-butyl hydroperoxide and its using for cyclohexene epoxidation

International Nuclear Information System (INIS)

Aleksandrov, Yu.A.; Fomin, V.M.; Kolmakov, A.O.

1983-01-01

As a result of reactions of biscyclopentadienyl molybden-dihalides (Cp 2 MoX 2 , X=Cl, Br or I) with tert.-butyl hydroperoxide, tert.-butylperoxides of biscyclopentadienyl molybdendichloride and-dibromide are synthesized for the first time, which are characterized by physico-chemical properties. Cyclohexene in the reaction mixture of Cp 2 MoX 2 with tert -butyl hydroperoxide is oxidated to form cyclohexene oxide, the reaction proceeding at a high rate and with a quantitative yield. Tert.-butylperoxide of biscyclopentadienyl molybdendihalide is responsible for the cyclohexene epoxidation reaction. The schemes for the mechanism of Cp 2 MoX 2 reactions with tert.-butyl hydroperoxide in the absence and presence of olefine are suggested

Subject Categorization Guide for Defense Science and Technology

Science.gov (United States)

1986-10-01

Anchors(Structural) 08/06 Amazon River 06/03 Ancylostoma 20/01 Ambient noise 06/01 Androgens 24/02 14/02 Anechoic chambers 13/06 Ambulances 06/05... Peru 07/03 Pentadiones 06/106 Pest control 07/02 Pentafluorides 02/01 Pesticides 07/03 Pentanes 24/05 07/03 Pentanols 06/06 Posts 07/03 Pentanones 07/03...Rodenticides 08/07 Rutile 06/03 Rodents 08/06 Ryukyu Islands 14/02 Rodme"ers 20/14 S band 05/08 Roles(Behavior) 12/01 S matrix 11/06/02 Roll bonding 20/10 13/08

Developing a mesophilic co-culture for direct conversion of cellulose to butanol in consolidated bioprocess.

Science.gov (United States)

Wang, Zhenyu; Cao, Guangli; Zheng, Ju; Fu, Defeng; Song, Jinzhu; Zhang, Junzheng; Zhao, Lei; Yang, Qian

2015-01-01

Consolidated bioprocessing (CBP) of butanol production from cellulosic biomass is a promising strategy for cost saving compared to other processes featuring dedicated cellulase production. CBP requires microbial strains capable of hydrolyzing biomass with enzymes produced on its own with high rate and high conversion and simultaneously produce a desired product at high yield. However, current reported butanol-producing candidates are unable to utilize cellulose as a sole carbon source and energy source. Consequently, developing a co-culture system using different microorganisms by taking advantage of their specific metabolic capacities to produce butanol directly from cellulose in consolidated bioprocess is of great interest. This study was mainly undertaken to find complementary organisms to the butanol producer that allow simultaneous saccharification and fermentation of cellulose to butanol in their co-culture under mesophilic condition. Accordingly, a highly efficient and stable consortium N3 on cellulose degradation was first developed by multiple subcultures. Subsequently, the functional microorganisms with 16S rRNA sequences identical to the denaturing gradient gel electrophoresis (DGGE) profile were isolated from consortium N3. The isolate Clostridium celevecrescens N3-2 exhibited higher cellulose-degrading capability was thus chosen as the partner strain for butanol production with Clostridium acetobutylicum ATCC824. Meanwhile, the established stable consortium N3 was also investigated to produce butanol by co-culturing with C. acetobutylicum ATCC824. Butanol was produced from cellulose when C. acetobutylicum ATCC824 was co-cultured with either consortium N3 or C. celevecrescens N3-2. Co-culturing C. acetobutylicum ATCC824 with the stable consortium N3 resulted in a relatively higher butanol concentration, 3.73 g/L, and higher production yield, 0.145 g/g of glucose equivalent. The newly isolated microbial consortium N3 and strain C. celevecrescens N3-2

Online monitoring of electrocatalytic reactions of alcohols at platinum and gold electrodes in acidic, neutral and alkaline media by capillary electrophoresis with contactless conductivity detection (EC-CE-C4 D).

Science.gov (United States)

Ferreira Santos, Mauro Sérgio; Silva Lopes, Fernando; Gutz, Ivano Gebhardt Rolf

2017-11-01

An EC-CE-C 4 D flow system was applied to the investigation of electrocatalytic processes by monitoring carboxylic acids formed during the electro-oxidation at various potentials of primary alcohols (mixture of 1 mmol/L of ethanol, n-propanol, n-butanol and n-pentanol) in acidic, neutral and alkaline media. The electro-oxidation was carried out on gold and platinum disk electrodes (3 mm of diameter) in a thin-layer electrochemical flow cell. Products were sampled 50 μm apart from the electrode directly into the capillary. All the generated carboxylates were determined in near real time (less than 2 min) by CE-C 4 D in counter-flow mode, with Tris/HCl buffer solution (pH 8.6) as BGE. Long sequences of 5-min experiments were run automatically, exploring the applied potential, electrolysis time and solution composition. Electro-oxidation at 1.5 V (versus Ag/AgCl quasi-reference) during 50 s in acidic medium was found appropriate for both Pt and Au electrodes when the determination of alcohols after derivatization is intended. A noteworthy selectivity effect was observed on the Au electrode. The signal corresponding to pentanoate is similar on both electrodes while the signal of ethanoate (acetate) is four times larger on gold than on platinum. The carboxylate signals were lower in alkaline medium (below the determination limit on Pt) than in acidic and neutral media. On gold, the formation of carboxylates was anticipated (0.85 V in alkaline medium versus 1.40 V in neutral medium). The automatic online monitoring of electrochemical processes by EC-CE-C 4 D holds great potential to investigate ionic/ionizable intermediates/products of new electrocatalysts and/or alternative fuels. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improving Fructose Utilization and Butanol Production by Clostridium acetobutylicum via Extracellular Redox Potential Regulation and Intracellular Metabolite Analysis.

Science.gov (United States)

Chen, Li-Jie; Wu, You-Duo; Xue, Chuang; Bai, Feng-Wu

2017-10-01

Jerusalem artichoke (JA) can grow well in marginal lands with high biomass yield, and thus is a potential energy crop for biorefinery. The major biomass of JA is from tubers, which contain inulin that can be easily hydrolyzed into a mixture of fructose and glucose, but fructose utilization for producing butanol as an advanced biofuel is poor compared to glucose-based ABE fermentation by Clostridium acetobutylicum. In this article, the impact of extracellular redox potential (ORP) on the process is studied using a mixture of fructose and glucose to simulate the hydrolysate of JA tubers. When the extracellular ORP is controlled above -460 mV, 13.2 g L -1 butanol is produced from 51.0 g L -1 total sugars (40.1 g L -1 fructose and 10.9 g L -1 glucose), leading to dramatically increased butanol yield and butanol/ABE ratio of 0.26 g g -1 and 0.67, respectively. Intracellular metabolite and q-PCR analysis further indicate that intracellular ATP and NADH availabilities are significantly improved together with the fructose-specific PTS expression at the lag phase, which consequently facilitate fructose transport, metabolic shift toward solventogenesis and carbon flux redistribution for butanol biosynthesis. Therefore, the extracellular ORP control can be an effective strategy to improve butanol production from fructose-based feedstock. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alternative fuels in domestic heating markets. Experimental testing of n-butanol as component in domestic heating oil; Alternative fluessige Energietraeger im Raumwaermemarkt. Experimentelle Ueberpruefung von n-Butanol als Beimischung zu Heizoel EL

Energy Technology Data Exchange (ETDEWEB)

Hoffmann, H.; Dohn, N.; Rheinberg, O. van [RWTH Aachen (Germany). OWI Oel-Waerme-Inst. GmbH

2012-02-15

N-butanol has already been tested successfully as partial substitute for diesel fuel. However, to date there are no corresponding studies available regarding the use of n-butanol as bio-component in domestic heating oil. Thus, physical and chemical norm parameters of n-butanol/heating oil blends and their combustion specific characteristics in steady operation were examined. The combustion of blends of domestic heating oil and butanol (up to 20 % (v/v)) in a common yellow burner did not indicate negative influence and did not yield a significant change in emissions of carbon monoxide, nitrogen oxides or soot. All tests were conducted without any modifications of the burner to the use of n-butanol. The flash point drops below the limit of 55 C with 1 % (v/v) butanol already and is therefore a flammable liquid. Its use as a substitute for heating oil is therefore limited by safety regulations. Practical applications of n-butanol as bio-component could be its utilization in low concentrations or in facilities providing suitable storage capabilities. (orig.)

(tert-Butylimidobis(η5-cyclopentadienylpyridinezirconium(IV

Directory of Open Access Journals (Sweden)

Katharina Kaleta

2010-09-01

Full Text Available The title compound, [Zr(C5H52(C4H9N(C5H5N], was obtained from the reaction of (C5H52Zr(py(η2-Me3SiC2SiMe3 (py is pyridine and tBuN=C=NtBu alongside the formation of (C5H52Zr(CNtBu(η2-Me3SiC2SiMe3. The zirconium atom is coordinated in a distorted tetrahedral geometry by two cyclopentadienyl ligands, a pyridine ligand, and a tert-butylimido ligand via a Zr=N double bond. The tert-butyl group is disordered over two positions in a 0.634 (5:0.366 (5 ratio.

Role of Calcination Temperature on the Hydrotalcite Derived MgO–Al2O3 in Converting Ethanol to Butanol

Energy Technology Data Exchange (ETDEWEB)

Ramasamy, Karthikeyan K.; Gray, Michel J.; Job, Heather M.; Santosa, Daniel M.; Li, Xiaohong S.; Devaraj, Arun; Karkamkar, Abhijeet J.; Wang, Yong

2015-10-09

In the base catalyzed ethanol condensation reactions, the calcined MgO-Al₂O₃ derived hydrotalcites used broadly as catalytic material and the calcination temperature plays a big role in determining the catalytic activity. The characteristic of the hydrotalcite material treated between catalytically relevant temperatures 450ºC and 800ºC have been studied with respect to the physical, chemical, and structural properties and compared with catalytic activity testing. With the increasing calcination temperature, the total measured catalytic basicity dropped linearly with the calcination temperature and the total measured acidity stayed the same for all the calcination temperatures except 800ºC. However, the catalyst activity testing does not show any direct correlation between the measured catalytic basicity and the catalyst activity to the ethanol condensation reaction to form 1-butanol. The highest ethanol conversion of 44 percent with 1-butanol selectivity of 50 percent was achieved for the 600ºC calcined hydrotalcite material.

Proton and neutron polarized targets for nucleon-nucleon experiments at SATURNE II

International Nuclear Information System (INIS)

Ball, J.; Combet, M.; Sans, J.L.; Benda, B.; Chaumette, P.; Deregel, J.; Durand, G.; Dzyubak, A.P.; Gaudron, C.; Lehar, F.; Janout, Z.; Khachaturov, B.A.

1996-01-01

A SATURNE polarized target has been used for nucleon-nucleon elastic scattering and transmission experiments for 15 years. The polarized proton target is a 70 cm 3 cartridge loaded with Pentanol-2. For polarized neutron target, two cartridges loaded with 6 LiD and 6 LiH are set in the refrigerator and can be quickly inserted in the beam. First experiments using 6 Li products in quasielastic pp or pn analyzing power measurements are compared with the same observables measured in a free nucleon-nucleon scattering using polarized proton targets. Angular distribution as a function of a kinematically conjugate angle and coplanarity in nucleon-nucleon scattering is shown for different targets. (author)

2-(1-Amino-4-tert-butylcyclohexylacetic acid (tBu-β3,3-Ac6c hemihydrateIIIM communication number IIIM/1552/2013.

Directory of Open Access Journals (Sweden)

Naiem Ahmad Wani

2013-06-01

Full Text Available The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexylacetic acid molecules, which are present as zwitterions, and one water molecule in the asymmetric unit. The molecular structure of each zwitterion is stabilized by an intramolecular six-membered (C6 N—H...O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N—H...O hydrogen bonds. Further O—H...O and N—H...O hydrogen bonds link the zwitterions and the water molecules, forming sandwich-like layers, with a hydrophilic filling and a hydrophobic exterior, lying parallel to the ab plane.

Investigation of hydrolysis products in the acetone-butanol fermentation of vegetable agricultural waste materials

Energy Technology Data Exchange (ETDEWEB)

Nakhmanovich, B M

1960-01-01

Determinations of the fundamental chemical composition of corn stalk, sunflower husk, and hemp scutch by chromatography were reported, e.g. pentoses (1.98, 1.98, 2.01%), hexoses (1.59, 1.72, 2.01% respectively.) and various amino acids (arginine, asparagine, histidine, glutamine, glycine, lysine, proline, serine, tyrosine, threonine, cysteine, cystine, alanine, and aspartic and glutamic acids). The sterilized products from the hydrolysis (pentoses, hexoses) in a combined mixture with a meal mash were normally fermented at 37/sup 0/ in the presence of acetone-butanol bacteria for 40 to 48 hours, yielding 10.46 to 12.50% of acetone, 15.09 to 18.0% of butanol, 3.79 to 6.08% of ethanol (a total yielding being 30 to 42% of solvents).

COMPARISON OF METHODS FOR ETHYLHEXYL 4-METHOXYCINNAMATE ACID ESTER OXIDATION IN WATER MEDIUM

Directory of Open Access Journals (Sweden)

Waldemar Studziński

2017-07-01

Full Text Available The aim of studies was to compare an impact of oxidizing agents on degradation of ethylhexyl 4-methoxycinnamate acid (EHMC. The oxidation reaction was carried out in the presence of sodium hypochlorite, hydrogen peroxide and ozone with/without UV radiation. EHMC degradation and analysis of products were performed using gas chromatograph coupled with mass spectrometry detector. The most effective method of EHMC degradation turned out to be ozonation with participation of UV radiation. In this system, degradation proceeded the most quickly and generated formation of small amount of by-products (2-propyl-1-pentanol; 4-metoxybenzaldehyde and Z-EHMC. Under the influence of sodium hypochlorite, the numerous chloroorganic products were formed, which can cause secondary contamination of water. Application of appropriate oxidation processes can contribute to degradation of micropollutants and thus to improvement of water quality.

Thermodynamic and acoustic properties of binary mixtures of 1-butanol with 1,2-butanediol. The comparison with the results for 1,3-, and 1,4-butanediol

International Nuclear Information System (INIS)

Zorębski, Edward; Góralski, Paweł; Godula, Bożena; Zorębski, Michał

2014-01-01

Highlights: • Excess molar volume is negative and absolute value decreases with temperature. • Excess molar isobaric heat capacity is positive and decreases with temperature. • Slight contraction and enhanced rigidity observed in mixtures. • Increase of non-chemical attractive interactions in mixtures. • Correlation between isobaric molar heat capacity excesses and molar isobaric heat capacities of the pure butanediols. -- Abstract: Densities and isobaric heat capacities have been measured for (1-butanol + 1,2-butanediol) over the temperature range from (293.15 to 308.15) K and (282.15 to 320.15) K, respectively. The speed of sound at the temperature 298.15 K has been measured as well. Using these results, the molar volumes, isentropic and isothermal compressibility coefficients, molar isentropic and isothermal compressibilities, molar isobaric and isochoric heat capacities as well as internal pressures were calculated. Also the corresponding excess and deviation values were calculated and expressed by Redlich–Kister polynomials. The results are discussed in terms of variations of the structure of the system caused by the participation of the two alcohols (with the same carbon chain but different hydroxyl groups) in the dynamic intermolecular association process through hydrogen bonding at various temperatures. Present findings are also compared with the previous results for 1,3-, and 1,4-butanediol

Synthesis of Biodiesel from the Oily Content of Marine Green Alga Ulva fasciata

International Nuclear Information System (INIS)

Khan, A. M.; Fatima, N.

2015-01-01

The present study is focused on the chemical transformation of oils derived from the marine green alga Ulva fasciata Delile to biodiesel. The transesterification of algal oil was performed with a variety of alcohols using Na metal and NaOH as catalysts. Transesterification of algal oil by mechanical stirring yielded significant biodiesel within an hour at 60 degree C with NaOH and at room temperature with Na metal. In addition, microwave irradiated transesterification produced significant amount of biodiesel with NaOH and Na metal within 1-5 minutes. However, reaction of sodium metal in microwave oven was highly exothermic and uncontrollable that could also damage the radiation source. The reactivity order of alcohols was found to be methanol > ethanol > benzyl alcohol > 1-propanol > 1-butanol > 1-pentanol > 1-hexanol > 2-propanol. Isopropyl alcohol was found to be least reactive due to steric hindrance. Benzyl alcohol was found to be more reactive than 1-propyl alcohol due to the electron withdrawing effect of benzene ring. The highest % conversion of FAME and FAEE were found to be 97% and 98% respectively using Na metal through mechanical stirring. Biodiesel production was confirmed by thin layer chromatography (TLC). Furthermore, the fuel properties including density, kinematics viscosity, high heating value, acid value, free fatty acid (%), cloud point and pour point of U. fasciata oil and all the esters were determined and compared with the standard limits of biodiesel. Fatty acid methyl, ethyl, 1-propyl, 2-propyl, 1-butyl, 1-pentyl and 1-hexyl esters showed the fuel properties within the biodiesel standard limits therefore all of them were considered as the substitute of biodiesel. On the other hand, the fuel properties of benzyl ester were found to be above the limits of biodiesel specifications and thus it could not be considered as biodiesel. This research article will be helpful to overcome the current challenges of energy crisis, global warming and

Study of hTERT and Histone 3 Mutations in Medulloblastoma.

Science.gov (United States)

Viana-Pereira, Marta; Almeida, Gisele Caravina; Stavale, João Norberto; Malheiro, Susana; Clara, Carlos; Lobo, Patrícia; Pimentel, José; Reis, Rui Manuel

2017-01-01

Hotspot activating mutations of the telomerase reverse transcriptase (hTERT) promoter region were recently described in several tumor types. These mutations lead to enhanced expression of telomerase, being responsible for telomere maintenance and allowing continuous cell division. Additionally, there are alternative telomere maintenance mechanisms, associated with histone H3 mutations, responsible for disrupting the histone code and affecting the regulation of transcription. Here, we investigated the clinical relevance of these mechanistically related molecules in medulloblastoma. Sixty-nine medulloblastomas, formalin fixed and paraffin embedded, from a cohort of patients aged 1.5-70 years, were used to investigate the hotspot mutations of the hTERT promoter region, i.e. H3F3A and HIST1H3B, using Sanger sequencing. We successfully sequenced hTERT in all 69 medulloblastoma samples and identified a total of 19 mutated cases (27.5%). c.-124:G>A and c.-146:G>A mutations were detected, respectively, in 16 and 3 samples. Similar to previous reports, hTERT mutations were more frequent in older patients (p < 0.0001), being found only in 5 patients <20 years of age. In addition, hTERT-mutated tumors were more frequently recurrent (p = 0.026) and hTERT mutations were significantly enriched in tumors located in the right cerebellar hemisphere (p = 0.039). No mutations were found on the H3F3A or HIST1H3B genes. hTERT promoter mutations are frequent in medulloblastoma and are associated with older patients, prone to recurrence and located in the right cerebellar hemisphere. On the other hand, histone 3 mutations do not seem to be present in medulloblastoma. © 2016 S. Karger AG, Basel.

Thermochemical studies on two alkyl-bulky substituted xanthene derivatives: 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene

International Nuclear Information System (INIS)

Freitas, Vera L.S.; Gomes, José R.B.; Ribeiro da Silva, Maria D.M.C.

2017-01-01

Highlights: • Energetic characterization of two alkyl-bulky substituted xanthene derivatives. • Massic energies of combustion of xanthene derivatives. • Enthalpies of sublimation determined by vacuum drop microcalorimetry technique. • Temperature-vapour pressure dependence by mass-loss Knudsen effusion method. • Gas-phase enthalpies of formation of alkyl xanthene derivatives. - Abstract: Thermodynamic properties of 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene for the condensed and gas states were derived from experimental and computational studies. Static-bomb combustion calorimetry, vacuum drop microcalorimetry and the Knudsen effusion techniques were used. Computational calculations of the enthalpies of hypothetical reactions in the gaseous phase, using the G3(MP2)//B3LYP composite method, were performed for the two xanthene derivatives. Natural bond orbital (NBO) calculations were also performed to ascertain the structure and reactivity of these compounds. The energetic effects caused by replacing hydrogen atoms in the xanthene moiety by methyl and tert-butyl groups yielding 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene species were determined from direct comparison of their standard (p o = 0.1 MPa) molar enthalpies of formation in the gaseous phase, at T = 298.15 K.

Comparison of stabilization by Vitamin E and 2,6-di-tert-butylphenols during polyethylene radio-thermal-oxidation

Science.gov (United States)

Richaud, Emmanuel

2014-10-01

This paper reports a compilation of data for PE+Vitamin E and 2,6-di-tert-butylphenols oxidation in radio-thermal ageing. Data unambiguously show that Vitamin E reacts with Prad and POOrad whereas 2,6-di-tert-butyl phenols only react with POOrad. Kinetic parameters of the stabilization reactions for both kinds of antioxidants were tentatively extracted from phenol depletion curves, and discussed regarding the structure of the stabilizer. They were also used for completing an existing kinetic model used for predicting the stabilization by antioxidants. This one permits to compare the efficiency of stabilizer with dose rate or sample thickness.

TERT-CLPTM1 locus polymorphism (rs401681 is associated with the prognosis of hepatocellular carcinoma

Directory of Open Access Journals (Sweden)

Lee HW

2017-10-01

Full Text Available Hye Won Lee,1,* Won-Jin Park,2,* Yu-Ran Heo,2 Tae In Park,3 Soo Young Park,4 Jae-Ho Lee2,* 1Department of Pathology, Keimyung University School of Medicine, Daegu, Republic of Korea; 2Department of Anatomy, Keimyung University School of Medicine, Daegu, Republic of Korea; 3Department of Pathology, Kyungpook National University School of Medicine, Daegu, Republic of Korea; 4Department of Internal Medicine, Kyungpook National University School of Medicine, Daegu, Republic of Korea *These authors contributed equally to this work Abstract: Telomere length is associated with the development of hepatocellular carcinoma (HCC, and recent studies have focused on the genetic alteration or polymorphism in telomere-maintaining genes. We examined the clinicopathologic and prognostic value of rs401681 polymorphism, located in the TERT-CLPTM1L locus, in HCC. The relationship between rs401681 variants and telomere length was also analyzed in 156 HCC patients. The rs401681 polymorphism had the following genotype frequencies: C/C in 51.3% of the samples, C/T in 39.7%, and T/T in 9.0%. Telomeres in the tumor samples were 4.04-fold longer, on average, than the telomeres in matched normal samples (SD =1.32, and there were no differences in telomere length according to rs401681 polymorphism (p=0.802. Our results indicate that the rs401681 C allele was significantly associated with increased T and International Union for Cancer Control stages (p<0.01. Univariate and multivariate survival analyses showed that HCC with C allele had poorer prognosis (p<0.01. In conclusion, our findings suggest that rs401681 is a possible prognostic biomarker for HCC patients. Keywords: CLPTM1L polymorphism, hepatocellular carcinoma, TERT-CLPTM1L locus, telomere length

Metabolic engineering of Saccharomyces cerevisiae for the production of n-butanol

Energy Technology Data Exchange (ETDEWEB)

Steen, EricJ.; Chan, Rossana; Prasad, Nilu; Myers, Samuel; Petzold, Christopher; Redding, Alyssa; Ouellet, Mario; Keasling, JayD.

2008-11-25

BackgroundIncreasing energy costs and environmental concerns have motivated engineering microbes for the production of ?second generation? biofuels that have better properties than ethanol.Results& ConclusionsSaccharomyces cerevisiae was engineered with an n-butanol biosynthetic pathway, in which isozymes from a number of different organisms (S. cerevisiae, Escherichia coli, Clostridium beijerinckii, and Ralstonia eutropha) were substituted for the Clostridial enzymes and their effect on n-butanol production was compared. By choosing the appropriate isozymes, we were able to improve production of n-butanol ten-fold to 2.5 mg/L. The most productive strains harbored the C. beijerinckii 3-hydroxybutyryl-CoA dehydrogenase, which uses NADH as a co-factor, rather than the R. eutropha isozyme, which uses NADPH, and the acetoacetyl-CoA transferase from S. cerevisiae or E. coli rather than that from R. eutropha. Surprisingly, expression of the genes encoding the butyryl-CoA dehydrogenase from C. beijerinckii (bcd and etfAB) did not improve butanol production significantly as previously reported in E. coli. Using metabolite analysis, we were able to determine which steps in the n-butanol biosynthetic pathway were the most problematic and ripe for future improvement.

Biobutanol as Fuel for Direct Alcohol Fuel Cells-Investigation of Sn-Modified Pt Catalyst for Butanol Electro-oxidation.

Science.gov (United States)

Puthiyapura, Vinod Kumar; Brett, Dan J L; Russell, Andrea E; Lin, Wen-Feng; Hardacre, Christopher

2016-05-25

Direct alcohol fuel cells (DAFCs) mostly use low molecular weight alcohols such as methanol and ethanol as fuels. However, short-chain alcohol molecules have a relative high membrane crossover rate in DAFCs and a low energy density. Long chain alcohols such as butanol have a higher energy density, as well as a lower membrane crossover rate compared to methanol and ethanol. Although a significant number of studies have been dedicated to low molecular weight alcohols in DAFCs, very few studies are available for longer chain alcohols such as butanol. A significant development in the production of biobutanol and its proposed application as an alternative fuel to gasoline in the past decade makes butanol an interesting candidate fuel for fuel cells. Different butanol isomers were compared in this study on various Pt and PtSn bimetallic catalysts for their electro-oxidation activities in acidic media. Clear distinctive behaviors were observed for each of the different butanol isomers using cyclic voltammetry (CV), indicating a difference in activity and the mechanism of oxidation. The voltammograms of both n-butanol and iso-butanol showed similar characteristic features, indicating a similar reaction mechanism, whereas 2-butanol showed completely different features; for example, it did not show any indication of poisoning. Ter-butanol was found to be inactive for oxidation on Pt. In situ FTIR and CV analysis showed that OHads was essential for the oxidation of primary butanol isomers which only forms at high potentials on Pt. In order to enhance the water oxidation and produce OHads at lower potentials, Pt was modified by the oxophilic metal Sn and the bimetallic PtSn was studied for the oxidation of butanol isomers. A significant enhancement in the oxidation of the 1° butanol isomers was observed on addition of Sn to the Pt, resulting in an oxidation peak at a potential ∼520 mV lower than that found on pure Pt. The higher activity of PtSn was attributed to the

Genetic Engineering In BioButanol Production And Tolerance

Directory of Open Access Journals (Sweden)

Ashok Rao

Full Text Available ABSTRACT The growing need to address current energy and environmental problems has sparked an interest in developing improved biological methods to produce liquid fuels from renewable sources. Higher-chain alcohols possess chemical properties that are more similar to gasoline. Ethanol and butanol are two products which are used as biofuel. Butanol production was more concerned than ethanol because of its high octane number. Unfortunately, these alcohols are not produced efficiently in natural microorganisms, and thus economical production in industrial volumes remains a challenge. The synthetic biology, however, offers additional tools to engineer synthetic pathways in user-friendly hosts to help increase titers and productivity of bio-butanol. Knock out and over-expression of genes is the major approaches towards genetic manipulation and metabolic engineering of microbes. Yet there are TargeTron Technology, Antisense RNA and CRISPR technology has a vital role in genome manipulation of C.acetobutylicum. This review concentrates on the recent developments for efficient production of butanol and butanol tolerance by various genetically engineered microbes.

In situ hydrogen, acetone, butanol, ethanol and microdiesel production by Clostridium acetobutylicum ATCC 824 from oleaginous fungal biomass.

Science.gov (United States)

Hassan, Elhagag Ahmed; Abd-Alla, Mohamed Hemida; Bagy, Magdy Mohamed Khalil; Morsy, Fatthy Mohamed

2015-08-01

An in situ batch fermentation technique was employed for biohydrogen, acetone, butanol, ethanol and microdiesel production from oleaginous fungal biomass using the anaerobic fermentative bacterium Clostridium acetobutylicum ATCC 824. Oleaginous fungal Cunninghamella echinulata biomass which has ability to accumulate up to 71% cellular lipid was used as the substrate carbon source. The maximum cumulative hydrogen by C. acetobutylicum ATCC 824 from crude C. echinulata biomass was 260 ml H2 l(-1), hydrogen production efficiency was 0.32 mol H2 mole(-1) glucose and the hydrogen production rate was 5.2 ml H2 h(-1). Subsequently, the produced acids (acetic and butyric acids) during acidogenesis phase are re-utilized by ABE-producing clostridia and converted into acetone, butanol, and ethanol. The total ABE produced by C. acetobutylicum ATCC 824 during batch fermentation was 3.6 g l(-1) from crude fungal biomass including acetone (1.05 g l(-1)), butanol (2.19 g l(-1)) and ethanol (0.36 g l(-1)). C. acetobutylicum ATCC 824 has ability to produce lipolytic enzymes with a specific activity 5.59 U/mg protein to hydrolyze ester containing substrates. The lipolytic potential of C. acetobutylicum ATCC 824 was used as a biocatalyst for a lipase transesterification process using the produced ethanol from ABE fermentation for microdiesel production. The fatty acid ethyl esters (microdiesel) generated from the lipase transesterification of crude C. echinulata dry mass was analyzed by GC/MS as 15.4% of total FAEEs. The gross energy content of biohydrogen, acetone, butanol, ethanol and biodiesel generated through C. acetobutylicum fermentation from crude C. echinulata dry mass was 3113.14 kJ mol(-1). These results suggest a possibility of integrating biohydrogen, acetone, butanol and ethanol production technology by C. acetobutylicum with microdiesel production from crude C. echinulata dry mass and therefore improve the feasibility and commercialization of bioenergy production