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Sample records for solvent-free synthetic method

  1. Surface functionalization of SBA-15 by the solvent-free method

    International Nuclear Information System (INIS)

    Wang Yimeng; Zheng Yingwu; Zhu Jianhua

    2004-01-01

    A solvent-free technique was employed for fast modification of mesoporous materials. Copper, chromium and iron oxide species could be highly dispersed in SBA-15 by manually grinding the corresponding precursor salts and the host, followed by calcinations for the first time. This method is more effective to spontaneously disperse oxide species onto SBA-15 than impregnation, probably forming monolayer or submonolayer dispersion of salts or oxides. Besides, Cr(VI) species dominate in the mixing sample while Cr(III) species dominate in the impregnation one. In the temperature programmed surface reaction of nitrosamines, the sample prepared by solvent-free method showed a higher catalytic activity than the impregnation one

  2. An Expedient Method for the Synthesis of Thiosemicarbazones under Microwave Irradiation in Solvent-free Medium

    Institute of Scientific and Technical Information of China (English)

    LI, Jian-Ping; ZHENG, Peng-Zhi; ZHU, Jun-Ge; LIU, Rui-Jie; QU, Gui-Rong

    2006-01-01

    A simple, efficient and eco-friendly method for the synthesis of thiosemicarbazones from thiosemicarbazides and aldehyde under microwave irradiation has been reported, and no solvent and catalyst were used. And the technique of microwave irradiation coupled with solvent-free condition proved to be a quite valuable method in the organic synthesis.

  3. An Organocatalyzed and Ultrasound Accelerated Expeditious Synthetic Route to 1,5-Benzodiazepines under Solvent-Free Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Shinde, Pravin V.; Shingate, Bapurao B.; Shingare, Murlidhar S. [Babasaheb Ambedkar Marathwada University, Aurngabad (India)

    2011-04-15

    In the present work, successful implementation of ultrasound irradiations for the rapid synthesis of 1,5- benzodiazepine derivatives under solvent-free conditions is demonstrated. Use of a novel catalyst i.e. camphor sulphonic acid in combination with ultrasound technique is reported for the first time. Comparative study for the synthesis of 1,5-benzodiazepines using conventional as well as ultrasonication method is discussed.

  4. Efficient synthesis of sulfonamide derivatives on solid supports catalyzed using solvent-free and microwave-assisted methods

    Energy Technology Data Exchange (ETDEWEB)

    Camargo-Ordonez, Argelia; Moreno-Reyes, Christian; Olazaran-Santibanez, Fabian; Martinez-Hernandez, Sheila; Bocanegra-Garcia, Virgilio; Rivera, Gildardo [Universidad Autonoma de Tamaulipas, Reynosa (Mexico). Dep. de Farmacia y Quimica Medicinal

    2011-07-01

    In this work we report the synthesis of sulfonamide derivatives using a conventional procedure and with solid supports, such as silica gel, florisil, alumina, 4A molecular sieves, montmorillonite KSF, and montmorillonite K10 using solvent-free and microwave-assisted methods. Our results show that solid supports have a catalytic activity in the formation of sulfonamide derivatives. We found that florisil, montmorillonite KSF, and K10 could be used as inexpensive alternative catalysts that are easily separated from the reaction media. Additionally, solvent-free and microwave-assisted methods were more efficient in reducing reaction time and in increasing yield. (author)

  5. Efficient synthesis of sulfonamide derivatives on solid supports catalyzed using solvent-free and microwave-assisted methods

    International Nuclear Information System (INIS)

    Camargo-Ordonez, Argelia; Moreno-Reyes, Christian; Olazaran-Santibanez, Fabian; Martinez-Hernandez, Sheila; Bocanegra-Garcia, Virgilio; Rivera, Gildardo

    2011-01-01

    In this work we report the synthesis of sulfonamide derivatives using a conventional procedure and with solid supports, such as silica gel, florisil, alumina, 4A molecular sieves, montmorillonite KSF, and montmorillonite K10 using solvent-free and microwave-assisted methods. Our results show that solid supports have a catalytic activity in the formation of sulfonamide derivatives. We found that florisil, montmorillonite KSF, and K10 could be used as inexpensive alternative catalysts that are easily separated from the reaction media. Additionally, solvent-free and microwave-assisted methods were more efficient in reducing reaction time and in increasing yield. (author)

  6. Eco-friendly all-carbon paper electronics fabricated by a solvent-free drawing method

    International Nuclear Information System (INIS)

    Kanaparthi, Srinivasulu; Badhulika, Sushmee

    2016-01-01

    Here we report the fabrication of high-performance all-carbon temperature and infrared (IR) sensors with a solvent-free multiwalled carbon nanotube (MWCNT) trace as the sensing element and commercial graphite pencil trace as the electrical contact on recyclable and biodegradable cellulose filter paper without using any toxic materials or complex procedures. The temperature sensor shows a large negative temperature coefficient of resistance (TCR) in the range of −3100 ppm K −1 to −4900 ppm K −1 , which is comparable to available commercial temperature sensors, and an activation energy of 34.85 meV. The IR sensor shows a high responsivity of 58.5 V W −1 , which is greater than reported IR sensors with similar dimensions. A detailed study of the conduction mechanism in MWCNTs with temperature and the photo response with IR illumination was done and it was found that the conduction is due to thermally assisted hopping in band tails and the photo response is bolometric in nature. The successful fabrication of these sensors on cellulose filter paper with a comparable performance to existing components indicates that it is possible to fabricate high-performance electronics using low-cost, eco-friendly materials without the need for expensive clean-room processing techniques or harmful chemicals. (paper)

  7. The extraction of essential oil from patchouli leaves (Pogostemon cablin Benth) using microwave hydrodistillation and solvent-free microwave extraction methods

    Science.gov (United States)

    Putri, D. K. Y.; Kusuma, H. S.; Syahputra, M. E.; Parasandi, D.; Mahfud, M.

    2017-12-01

    Patchouli plant (Pogostemon cablin Benth) is one of the important essential oil-producing plant, contributes more than 50% of total exports of Indonesia’s essential oil. However, the extraction of patchouli oil that has been done in Indonesia is generally still used conventional methods that require enormous amount of energy, high solvent usage, and long time of extraction. Therefore, in this study, patchouli oil extraction was carried out by using microwave hydrodistillation and solvent-free microwave extraction methods. Based on this research, it is known that the extraction of patchouli oil using microwave hydrodistillation method with longer extraction time (240 min) only produced patchouli oil’s yield 1.2 times greater than solvent-free microwave extraction method which require faster extraction time (120 min). Otherwise the analysis of electric consumption and the environmental impact, the solvent-free microwave extraction method showed a smaller amount when compared with microwave hydrodistillation method. It is conclude that the use of solvent-free microwave extraction method for patchouli oil extraction is suitably method as a new green technique.

  8. Catalyst-free and solvent-free Michael addition of 1,3-dicarbonyl compounds to nitroalkenes by a grinding method

    Science.gov (United States)

    Xie, Zong-Bo; Wu, Ming-Yu; He, Ting; Le, Zhang-Gao

    2012-01-01

    Summary An environmentally benign, fast and convenient protocol has been developed for the Michael addition of 1,3-dicarbonyl compounds to β-nitroalkenes in good to excellent yields by a grinding method under catalyst- and solvent-free conditions. PMID:22563352

  9. Synthesis and catalytic activity of Birnessite-Type Manganese Oxide synthesized by solvent-free method

    Science.gov (United States)

    Siregar, S. S.; Awaluddin, A.

    2018-04-01

    Redox reaction between KMnO4 and glucose usingsolvent-free method produces the octahedral layer birnessite-type manganese oxide. The effects of mole ratios, temperatures, and calcinations time on the structures and crystallinity of the oxides were studied throughthe X-ray powder diffraction analysis. The mole ratio of KMnO4/glucose (1:3) produces the purebirnessite with low crystallinity, whereas the mole ratio of KMnO4/glucose (3:1) yields high crystalline birnessite with minor components of hausmannite-type manganese oxide.The increasing of the temperature and calcinations times (300-700 °C and 3-7 h, respectively) willimprove the crystallinity and the purity of the as-synthesized oxide. Further experiments also showed that the as-syntesized octahedral layer birnessite-type manganese oxides have catalytic activity on the degradation of methylene blue (MB) dye with H2O2 as oxidant. The results revealed that the effective degradation could be achieved only in the presence of both the birnessite and H2O2, whereas without the addition of catalyst (H2O2only) or addition of H2O2 (catalyst only), the 3.5% and 15.5% of MB removal were obtained, respectively.

  10. Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.

    Science.gov (United States)

    Lee, Hung Lin; Vasoya, Jaydip M; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T M

    2017-04-03

    Salts are generally prepared by acid-base reaction in relatively large volumes of organic solvents, followed by crystallization. In this study, the potential for preparing a pharmaceutical salt between haloperidol and maleic acid by a novel solvent-free method using a twin-screw melt extruder was investigated. The pH-solubility relationship between haloperidol and maleic acid in aqueous medium was first determined, which demonstrated that 1:1 salt formation between them was feasible (pH max 4.8; salt solubility 4.7 mg/mL). Extrusion of a 1:1 mixture of haloperidol and maleic acid at the extruder barrel temperature of 60 °C resulted in the formation of a highly crystalline salt. The effects of operating temperature and screw configuration on salt formation were also investigated, and those two were identified as key processing parameters. Salts were also prepared by solution crystallization from ethyl acetate, liquid-assisted grinding, and heat-assisted grinding and compared with those obtained by melt extrusion by using DSC, PXRD, TGA, and optical microscopy. While similar salts were obtained by all methods, both melt extrusion and solution crystallization yielded highly crystalline materials with identical enthalpies of melting. During the pH-solubility study, a salt hydrate form was also identified, which, upon heating, converted to anhydrate similar to that obtained by other methods. There were previous reports of the formation of cocrystals, but not salts, by melt extrusion. 1 H NMR and single-crystal X-ray diffraction confirmed that a salt was indeed formed in the present study. The haloperidol-maleic acid salt obtained was nonhygroscopic in the moisture sorption study and converted to the hydrate form only upon mixing with water. Thus, we are reporting for the first time a relatively simple and solvent-free twin-screw melt extrusion method for the preparation of a pharmaceutical salt that provides material comparable to that obtained by solution

  11. A clean method for solvent-free nitration of toluene over sulfated titania promoted by ceria catalysts.

    Science.gov (United States)

    Mao, Wei; Ma, Hongzhu; Wang, Bo

    2009-08-15

    A mild simple method for nitration of aromatic compounds, various solid acids as catalysts, the air treated with the corona discharge generator as nitrating agent, the liquid-phase nitration of toluene, at ambient temperature and atmospheric pressure without solvent has been investigated. The results show that SO(4)(2-)/TiO(2) (ST) and SO(4)(2-)/TiO(2) doped with CeO(2) (STC) catalysts displayed good nitration activity in the experiments. It is an attractive method for the environmentally friendly synthesis of nitroaromatic compounds. Moreover, only mononitrotoluenes were detected in the products, and the ratio of para-nitrotoluene and ortho-nitrotoluene was approximately 1:1 with various catalysts. A maximum yield of about 11.4% was achieved for mononitrotoluenes in STC reaction system in 3h.

  12. Preparation of a Nanoemulsion with Carapa guianensis Aublet (Meliaceae Oil by a Low-Energy/Solvent-Free Method and Evaluation of Its Preliminary Residual Larvicidal Activity

    Directory of Open Access Journals (Sweden)

    Flávia L. M. Jesus

    2017-01-01

    Full Text Available Andiroba (Carapa guianensis seeds are the source of an oil with a wide range of biological activities and ethnopharmacological uses. However, few studies have devoted attention to innovative formulations, including nanoemulsions. The present study aimed to obtain a colloidal system with the andiroba oil using a low-energy and organic-solvent-free method. Moreover, the preliminary residual larvicidal activity of the nanoemulsion against Aedes aegypti was evaluated. Oleic and palmitic acids were the major fatty acids, in addition to the phytosterol β-sitosterol and limonoids (tetranortriterpenoids. The required hydrophile-lipophile was around 11.0 and the optimal nanoemulsion was obtained using polysorbate 85. The particle size distribution suggested the presence of small droplets (mean diameter around 150 nm and low polydispersity index (around 0.150. The effect of temperature on particle size distribution revealed that no major droplet size increase occurred. The preliminary residual larvicidal assay suggested that the mortality increased as a function of time. The present study allowed achievement of a potential bioactive oil in water nanoemulsion that may be a promising controlled release system. Moreover, the ecofriendly approach involved in the preparation associated with the great bioactive potential of C. guianensis makes this nanoemulsion very promising for valorization of this Amazon raw material.

  13. Fast and efficient method for reduction of carbonyl compounds with NaBH{sub 4} /wet SiO{sub 2} under solvent free condition

    Energy Technology Data Exchange (ETDEWEB)

    Zeynizadeh, Behzad; Bahyar, Tarifeh [Urmia University, Urmia (Iran, Islamic Republic of). Faculty of Sciences. Dept. of Chemistry]. E-mail: b.zeynizadeh@mail.urmia.ac.ir

    2005-11-15

    Reduction of structurally different carbonyl compounds such as aldehydes, ketones, {alpha},{beta}-unsaturated enals and enones, {alpha}-diketones and acyloins were accomplished efficiently by sodium borohydride in the presence of wet SiO{sub 2} (30% m/m) under solvent free condition. The reactions were performed at room tempere or 75-80 deg C with high to excellent yields of the corresponding products. The chemoselective reduction of aldehydes over ketones was achieved successfully with this reducing system. (author)

  14. Fast and efficient method for reduction of carbonyl compounds with NaBH4 /wet SiO2 under solvent free condition

    International Nuclear Information System (INIS)

    Zeynizadeh, Behzad; Bahyar, Tarifeh

    2005-01-01

    Reduction of structurally different carbonyl compounds such as aldehydes, ketones, α,β-unsaturated enals and enones, α-diketones and acyloins were accomplished efficiently by sodium borohydride in the presence of wet SiO 2 (30% m/m) under solvent free condition. The reactions were performed at room temperature or 75-80 deg C with high to excellent yields of the corresponding products. The chemoselective reduction of aldehydes over ketones was achieved successfully with this reducing system. (author)

  15. Hydrophobic lapatinib encapsulated dextran-chitosan nanoparticles using a toxic solvent free method: fabrication, release property & in vitro anti-cancer activity

    Energy Technology Data Exchange (ETDEWEB)

    Mobasseri, Rezvan [Department of Nanobiotechnology, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Center for Nanofibers & Nanotechnology, Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Karimi, Mahdi [Department of Nanobiotechnology, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Tian, Lingling, E-mail: lingling_tian@nus.edu.sg [Center for Nanofibers & Nanotechnology, Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Naderi-Manesh, Hossein, E-mail: naderman@modares.ac.ir [Department of Nanobiotechnology, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Department of Biophysics, Faculty of Biological Sciences, Tarbiat Modares University, Tehran (Iran, Islamic Republic of); Ramakrishna, Seeram [Center for Nanofibers & Nanotechnology, Department of Mechanical Engineering, National University of Singapore, 117576 (Singapore); Guangdong-Hongkong-Macau Institute of CNS Regeneration (GHMICR), Jinan University, Guangzhou 510632 (China)

    2017-05-01

    Dextran sulfate-chitosan (DS-CS) nanoparticles, which possesses properties such as nontoxicity, biocompatibility and biodegradability have been employed as drug carriers in cancer therapy. In this study, DS-CS nanoparticles were synthesized and their sizes were controlled by a modification of the divalent cations cross-linkers (Ca{sup 2+}, Zn{sup 2+} or Mg{sup 2+}). Based on the optimized processing parameters, lapatinib encapsulated nanoparticles were developed and characterized by Dynamics Light Scattering (DLS) measurements, Fourier Transform Infrared Spectroscopy (FT-IR) and Scanning Electron Microscopy (SEM). Calcium chloride (CaCl{sub 2}) facilitated the formation of bare (100.3 ± 0.80 nm) and drug-loaded nanoparticles (134.3 ± 1.3 nm) with narrow size distributions being the best cross-linker. The surface potential of drug-loaded nanoparticles was − 16.8 ± 0.47 mV and its entrapment and loading efficiency were 76.74 ± 1.73% and 47.36 ± 1.27%, respectively. Cellular internalization of nanoparticles was observed by fluorescence microscopy and MTT (3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide) assay was used to determine cytotoxicity of bare and drug-loaded nanoparticles in comparison to the free drug lapatinib. The MTT assay showed that drug-loaded nanoparticles had comparable anticancer activity to free drug within a duration of 48 h. The aforementioned results showed that the DS-CS nanoparticles were able to entrap, protect and release the hydrophobic drug, lapatinib in a controlled pattern and could further serve as a suitable drug carrier for cancer therapy. - Highlights: • The best condition to prepare best size (about 100 nm) dextran-chitosan nanoparticles is proposed. • Divalent cationic cross-linker can act as hardener and compress the particles. • Drug/dextran mixing in a toxic solvent free method provides hydrophobic drug encapsulation within a hydrophilic system. • High entrapment efficiency of Lapatinib in polymeric

  16. Synthesis of halide- and solvent free metal borohydrides

    DEFF Research Database (Denmark)

    Grinderslev, Jakob; Møller, Kasper Trans; Richter, Bo

    have challenges due to their high desorption kinetics and limited reversibility at moderate conditions.[2],[3],[4] In this work, we present a new approach to synthesize halide- and solvent free metal borohydrides starting from the respective metal hydride. The synthetic strategy ensures that no metal...... to the metal. Hence, the powdered M(BH4)3∙DMS is heated to 140 °C for 4 hours to obtain pure M(BH4)3. The rare-earth metal borohydrides have been investigated by infrared spectroscopy and thermal analysis (TGA-DSC-MS). Furthermore, the structural trends are investigated by synchrotron radiation powder X...

  17. SHORT COMMUNICATION SOLVENT FREE PREPARATION OF N ...

    African Journals Online (AJOL)

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    KEYWORDS: Solvent free, Maleanilic acids, Maleic anhydride, Aniline derivatives ... associated with the carboxylic group between 3275-2877 cm-1, the weak –NH .... Chemical shifts (σ/ppm) relative to TMS*. O-H N-H Ha. Hb. Hc. Hd. He. Hf.

  18. Dynamics of solvent-free grafted nanoparticles

    KAUST Repository

    Chremos, Alexandros

    2012-01-01

    The diffusivity and structural relaxation characteristics of oligomer-grafted nanoparticles have been investigated with simulations of a previously proposed coarse-grained model at atmospheric pressure. Solvent-free, polymer-grafted nanoparticles as well as grafted nanoparticles in a melt were compared to a reference system of bare (ungrafted) particles in a melt. Whereas longer chains lead to a larger hydrodynamic radius and lower relative diffusivity for grafted particles in a melt, bulk solvent-free nanoparticles with longer chains have higher relative diffusivities than their short chain counterparts. Solvent-free nanoparticles with short chains undergo a glass transition as indicated by a vanishing diffusivity, diverging structural relaxation time and the formation of body-centered-cubic-like order. Nanoparticles with longer chains exhibit a more gradual increase in the structural relaxation time with decreasing temperature and concomitantly increasing particle volume fraction. The diffusivity of the long chain nanoparticles exhibits a minimum at an intermediate temperature and volume fraction where the polymer brushes of neighboring particles overlap, but must stretch to fill the interparticle space. © 2012 American Institute of Physics.

  19. Grinding solvent-free Paal-Knorr pyrrole synthesis on smectites as ...

    African Journals Online (AJOL)

    Journal Home > Vol 32, No 1 (2018) > ... An environmentally benign method for the synthesis of N-substituted pyrroles from one-pot solvent-free ... conditions make this protocol practical, environmentally friendly and economically attractive.

  20. Microwave-assisted silica-promoted solvent-free synthesis of ...

    Indian Academy of Sciences (India)

    method using microwave irradiation with an excellent yield. The newly ... Table 1. Silica promoted microwave-assisted solvent-free synthesis of quinazolinone ... Time (min). Yield (%)a ..... thanks SC/ST cell of Bangalore University for research.

  1. Towards room temperature, direct, solvent free synthesis of tetraborohydrides

    International Nuclear Information System (INIS)

    Remhof, A; Yan, Y; Friedrichs, O; Kim, J W; Mauron, Ph; Borgschulte, A; Züttel, A; Wallacher, D; Buchsteiner, A; Hoser, A; Oh, K H; Cho, Y W

    2012-01-01

    Due to their high hydrogen content, tetraborohydrides are discussed as potential synthetic energy carriers. On the example of lithium borohydride LiBH 4 , we discuss current approaches of direct, solvent free synthesis based on gas solid reactions of the elements or binary hydrides and/or borides with gaseous H 2 or B 2 H 6 . The direct synthesis from the elements requires high temperature and high pressure (700°C, 150bar D 2 ). Using LiB or AlB 2 as boron source reduces the required temperature by more than 300 K. Reactive milling of LiD with B 2 H 6 leads to the formation of LiBD 4 already at room temperature. The reactive milling technique can also be applied to synthesize other borohydrides from their respective metal hydrides.

  2. Oligoquinolines under Solvent-free Microwave Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kwi-Jeon; Kwon, Tae-Woo [Kyungsung University, Busan (Korea, Republic of)

    2015-01-15

    Quinolines are thermally stable and can be used as an excellent n-type semiconducting materials. Since quinolines are also known to be electron acceptor molecules, combination of various electron donor building blocks can be utilized in photonic and electronic organic light-emitting diode (OLED) applications. For example, donor.acceptor systems with phenothiazine (or carbazole) molecules as electron donors and the phenylquinoline group as an electron acceptor provide an efficient approach for the design of new materials exhibiting highly efficient charge-transfer photophysics and electroluminescence in OLEDs. We have described the Friedlander quinoline synthesis between aminobenzophenones and symmetrical diacetyl compounds having phenothiazine, carbazole, biphenyl, and phenyl moieties under solvent-free microwave irradiation in 12.98% isolated yields.

  3. Use of the co-grinding method to enhance the dissolution behavior of a poorly water-soluble drug: generation of solvent-free drug-polymer solid dispersions.

    Science.gov (United States)

    Yang, Caiqin; Xu, Xiujuan; Wang, Jing; An, Zhiqian

    2012-01-01

    The solid dispersion (SD) technique is the most effective method for improving the dissolution rate of poorly water-soluble drugs. In the present work, SDs of the Ca2+ channel blocker dipfluzine (DF) with polyvinylpyrrolidone K30 (PVP) and poloxamer 188 (PLXM) were prepared by the powder solid co-grinding method under a solvent-free condition. The properties of all SDs and physical mixtures were investigated by X-ray diffraction, Fourier-transform infrared, differential scanning calorimetry, scanning electron microscopy, dissolution test, and particles size determination. Eutectic compounds were produced between the DF and PLXM matrix during the co-grinding process, whereas glass suspension formed in the SDs with PVP carrier. Hydrogen bond formation was not observed between DF and carriers and DF was microcrystalline state in the PVP and PLXM matrices. The solubility of DF in different concentration of carriers at 25, 31, and 37°C was investigated; the values obtained were used to calculate the thermodynamic parameters of interaction between DF and carriers. The Gibbs free energy (ΔrGθ) values were negative, indicating the spontaneous nature of dispersing DF into the carriers. Moreover, entropy is the drive force when DF disperses into the matrix of PVP, while, enthalpy-driven dispersing encounters in the PLXM carrier. All the SDs of DF/carriers showed a considerably higher dissolution rate than pure DF and the corresponding physical mixtures. The cumulative dissolution rate at 10 min of the SD with a 1 : 3 DF/carrier ratio increased 5.1-fold for PVP and 5.5-fold for PLXM.

  4. Silica sulfuric acid: a reusable solid catalyst for one pot synthesis of densely substituted pyrrole-fused isocoumarins under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Sudipta Pathak

    2013-11-01

    Full Text Available A convenient and efficient methodology for the synthesis of densely substituted pyrrole-fused isocoumarins, which employs solid-supported silica sulfuric acid (SSA as catalyst, has been developed. When the mixture of ninhydrin adducts of acetylacetone/ethyl acetoacetate and primary amines was heated on the solid surface of SSA under solvent-free conditions, the pyrrole-fused isocoumarins were formed in good yields. This synthetic method has several advantages such as the employment of solvent-free reaction conditions without the use of any toxic reagents and metal catalysts, the ease of product isolation, the use of a recyclable catalyst, the low cost, the easy availability of the starting materials, and the excellent yields of products.

  5. Solvent-free microwave extraction of essential oil from Melaleuca leucadendra L.

    Directory of Open Access Journals (Sweden)

    Widya Ismanto Aviarina

    2018-01-01

    Full Text Available Cajuput (Melaleuca leucadendra L. oil is one of potential commodity that provides an important role for the country’s foreign exchange but the extraction of these essential oil is still using conventional method such as hydrodistillation which takes a long time to produce essential oil with good quality. Therefore it is necessary to optimize the extraction process using a more effective and efficient method. So in this study the extraction is done using solvent-free microwave extraction method that are considered more effective and efficient than conventional methods. The optimum yield in the extraction of cajuput oil using solvent-free microwave extraction method is 1.0674%. The optimum yield is obtained on the feed to distiller (F/D ratio of 0.12 g/mL with microwave power of 400 W. In the extraction of cajuput oil using solvent-free microwave extraction method is performed first-order and second-order kinetics modelling. Based on kinetics modelling that has been done, it can be said that the second-order kinetic model (R2 = 0.9901 can be better represent experimental results of extraction of cajuput oil that using solvent-free microwave extraction method when compared with the first-order kinetic model (R2 = 0.9854.

  6. Structural Transitions of Solvent-Free Oligomer-Grafted Nanoparticles

    KAUST Repository

    Chremos, Alexandros; Panagiotopoulos, Athanassios Z.

    2011-01-01

    that of simple liquids. The reversible nature of these transitions in solvent-free conditions offers new ways to control self-assembly of nanoparticles at experimentally accessible conditions. © 2011 American Physical Society.

  7. Structural Transitions of Solvent-Free Oligomer-Grafted Nanoparticles

    KAUST Repository

    Chremos, Alexandros

    2011-09-01

    Novel structural transitions of solvent-free oligomer-grafted nanoparticles are investigated by using molecular dynamics simulations of a coarse-grained bead-spring model. Variations in core size and grafting density lead to self-assembly of the nanoparticles into a variety of distinct structures. At the boundaries between different structures, the nanoparticle systems undergo thermoreversible transitions. This structural behavior, which has not been previously reported, deviates significantly from that of simple liquids. The reversible nature of these transitions in solvent-free conditions offers new ways to control self-assembly of nanoparticles at experimentally accessible conditions. © 2011 American Physical Society.

  8. SHORT COMMUNICATION A SOLVENT FREE AND SELECTIVE ...

    African Journals Online (AJOL)

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    1Department of Chemistry and Chemical Engineering, Faculty of Material ... A very simple and efficient method is described for protection of alcohols and ... Hydroxyl group protection is important in the synthesis of some organic molecules. ..... applied this method for the protection of hydroxyl groups in these compounds.

  9. An efficient synthesis of quinolines under solvent-free conditions

    Indian Academy of Sciences (India)

    Unknown

    An efficient synthesis of quinolines under solvent-free conditions. 201 was then irradiated with microwaves in a microwave oven (Samsung model# CE118KF) at 1050W (70% of total power) for 5 minutes (3 + 2 with an inter- mission of 5 minutes). The reaction mixture was cooled at room temperature and rendered basic (pH.

  10. GRINDING SOLVENT-FREE PAAL-KNORR PYRROLE SYNTHESIS ...

    African Journals Online (AJOL)

    Paal-Knorr pyrrole synthesis on smectites as recyclable and green catalysts. Bull. Chem. Soc. .... 1-Propyl-2,5-dimethyl-1H-pyrrole (8a). Oil (reported as oil .... of pyrroles catalyzed by zirconium chloride under solvent-free conditions . Ultrason.

  11. Solvent-free, visible-light photocatalytic alcohol oxidations applying an organic photocatalyst

    Directory of Open Access Journals (Sweden)

    Martin Obst

    2016-11-01

    Full Text Available A method for the solvent-free photocatalytic conversion of solid and liquid substrates was developed, using a novel rod mill apparatus. In this setup, thin liquid films are realized which is crucial for an effective photocatalytic conversion due to the low penetration depth of light in heterogeneous systems. Several benzylic alcohols were oxidized with riboflavin tetraacetate as photocatalyst under blue light irradiation of the reaction mixture. The corresponding carbonyl compounds were obtained in moderate to good yields.

  12. Methods for preparing synthetic freshwaters.

    Science.gov (United States)

    Smith, E J; Davison, W; Hamilton-Taylor, J

    2002-03-01

    Synthetic solutions that emulate the major ion compositions of natural waters are useful in experiments aimed at understanding biogeochemical processes. Standard recipes exist for preparing synthetic analogues of seawater, with its relatively constant composition, but, due to the diversity of freshwaters, a range of compositions and recipes is required. Generic protocols are developed for preparing synthetic freshwaters of any desired composition. The major problems encountered in preparing hard and soft waters include dissolving sparingly soluble calcium carbonate, ensuring that the ionic components of each concentrated stock solution cannot form an insoluble salt and dealing with the supersaturation of calcium carbonate in many hard waters. For acidic waters the poor solubility of aluminium salts requires attention. These problems are overcome by preparing concentrated stock solutions according to carefully designed reaction paths that were tested using a combination of experiment and equilibrium modeling. These stock solutions must then be added in a prescribed order to prepare a final solution that is brought into equilibrium with the atmosphere. The example calculations for preparing hard, soft and acidic freshwater surrogates with major ion compositions the same as published analyses, are presented in a generalized fashion that should allow preparation of any synthetic freshwater according to its known analysis.

  13. Solvent-Free Synthesis of Aryl Iodide Using Nano SiO2/HIO4 as a Reusable Acid Catalyst

    Directory of Open Access Journals (Sweden)

    A. Bamoniri

    2014-07-01

    Full Text Available An efficient and environmentally benign   method for the synthesis of aryl iodides have been developed by diazotization of aromatic amines with NaNO2 and nanosilica periodic acid (nano-SPIA as a green catalyst via grinding followed by a sandmeyer iodination by KI under solvent-free conditions at room temperature. The ensuing aryl diazonium salts supported on nano-SPIA were sufficiently stable to be kept at room temperature in the dry state. This method is a novel, efficient, eco-friendly route for solvent-free synthesis of aryl iodides.

  14. Comparison of microwave hydrodistillation and solvent-free microwave extraction of essential oil from Melaleuca leucadendra Linn

    Science.gov (United States)

    Ismanto, A. W.; Kusuma, H. S.; Mahfud, M.

    2017-12-01

    The comparison of solvent-free microwave extraction (SFME) and microwave hydrodistillation (MHD) in the extraction of essential oil from Melaleuca leucadendra Linn. was examined. Dry cajuput leaves were used in this study. The purpose of this study is also to determine optimal condition (microwave power). The relative electric consumption of SFME and MHD methods are both showing 0,1627 kWh/g and 0,3279 kWh/g. The results showed that solvent-free microwave extraction methods able to reduce energy consumption and can be regarded as a green technique for extraction of cajuput oil.

  15. Ultrasound-assisted phase-transfer catalysis method in an aqueous medium to promote the Knoevenagel reaction: advantages over the conventional and microwave-assisted solvent-free/catalyst-free method.

    Science.gov (United States)

    De-la-Torre, Pedro; Osorio, Edison; Alzate-Morales, Jans H; Caballero, Julio; Trilleras, Jorge; Astudillo-Saavedra, Luis; Brito, Iván; Cárdenas, Alejandro; Quiroga, Jairo; Gutiérrez, Margarita

    2014-09-01

    Given the broad spectrum of uses of acrylonitrile derivatives as fluorescent probes, AChE inhibitors, and others, it is necessary to find easy, efficient and simple methods to synthesize and diversify these compounds. We report the results of a comparative study of the effects of three techniques on the reactions between heterocyclic aldehydes and 2-(benzo[d]thiazol-2-yl)acetonitrile: stirring; ultrasound coupled to PTC conditions (US-PTC); and MW irradiation (MWI) under solvent and catalyst-free conditions. The effects of conditions on reaction parameters were evaluated and compared in terms of reaction time, yield, purity and outcomes. The US-PTC method is more efficient than the MWI and conventional methods. The reaction times were considerably shorter, with high yields (>90%) and good levels of purity. In addition, X-ray diffraction analysis and quantum mechanical calculations, at the level of density functional theory (DFT), ratify obtaining acrylonitrile isomers with E configurations. The crystal structure of 3c is stabilized by weak C-Ho⋯N intermolecular interactions (Ho⋯NC=2.45 Å, Co⋯NC=3.348(3) Å, Ho⋯NC=162°), forming centrosymmetric ring R2(2) (20) along the crystallographic a axis. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. An efficient solvent-free synthesis of imidazolines and benzimidazoles using K 4[Fe(CN 6] catalysis

    Directory of Open Access Journals (Sweden)

    Kabeer A. Shaikh

    2012-01-01

    Full Text Available Imidazolines and Benzimidazoles have been efficiently synthesized in high yields by treatment of 1,2-diamine with aldehydes using the metal co-ordinate complex K 4[Fe(CN 6] as a catalysis. The method was carried out under solvent free condition via oxidation of carbon-nitrogen bond. The process is green, mild and inexpensive.

  17. Liquid Quinones for Solvent-Free Redox Flow Batteries.

    Science.gov (United States)

    Shimizu, Akihiro; Takenaka, Keisuke; Handa, Naoyuki; Nokami, Toshiki; Itoh, Toshiyuki; Yoshida, Jun-Ichi

    2017-11-01

    Liquid benzoquinone and naphthoquinone having diethylene glycol monomethyl ether groups are designed and synthesized as redox active materials that dissolve supporting electrolytes. The Li-ion batteries based on the liquid quinones using LiBF 4 /PC show good performance in terms of voltage, capacity, energy efficiency, and cyclability in both static and flow modes. A battery is constructed without using intentionally added organic solvent, and its high energy density (264 W h L -1 ) demonstrates the potential of solvent-free organic redox flow batteries using liquid active materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. One Pot Synthesis of α-Aminophosphonates Containing Bromo and 3,4,5-Trimethoxybenzyl Groups under Solvent-free Conditions

    Directory of Open Access Journals (Sweden)

    Wei Xue

    2007-02-01

    Full Text Available New α-aminophosphonates were synthesized by the Kabachnik-Fields reactionof 3,4,5-trimethoxybenzaldehyde (TMB with p- or m-bromoaniline and a dialkylphosphite under solvent-free conditions. TMB was prepared from gallic acid via a fourstep synthetic sequence involving etherification, esterification, hydrazidation andpotassium ferricyanide oxidation. The structures of all synthesized compounds wereconfirmed by elemental analysis, IR, 1H-, 13C- and 31P-NMR spectral data. Compound 7gwas also characterized by X-ray crystallography. A half-leaf method was used todetermine the in vivo curative efficacy of the eight title products against tobacco mosaicvirus (TMV. It was found that compounds 7g and 7h possess good in vivo curativeeffects against TMV.

  19. Photo-triggered solvent-free metamorphosis of polymeric materials.

    Science.gov (United States)

    Honda, Satoshi; Toyota, Taro

    2017-09-11

    Liquefaction and solidification of materials are the most fundamental changes observed during thermal phase transitions, yet the design of organic and polymeric soft materials showing isothermal reversible liquid-nonliquid conversion remains challenging. Here, we demonstrate that solvent-free repeatable molecular architectural transformation between liquid-star and nonliquid-network polymers that relies on cleavage and reformation of a covalent bond in hexaarylbiimidazole. Liquid four-armed star-shaped poly(n-butyl acrylate) and poly(dimethyl siloxane) with 2,4,5-triphenylimidazole end groups were first synthesized. Subsequent oxidation of the 2,4,5-triphenylimidazoles into 2,4,5-triphenylimidazoryl radicals and their coupling with these liquid star polymers to form hexaarylbiimidazoles afforded the corresponding nonliquid network polymers. The resulting nonliquid network polymers liquefied upon UV irradiation and produced liquid star-shaped polymers with 2,4,5-triphenylimidazoryl radical end groups that reverted to nonliquid network polymers again by recoupling of the generated 2,4,5-triphenylimidazoryl radicals immediately after terminating UV irradiation.The design of organic and polymeric soft materials showing isothermal reversible liquid-nonliquid conversion is challenging. Here, the authors show solvent-free repeatable molecular architectural transformation between liquid-star and non-liquid-network polymers by the cleavage and reformation of covalent bonds in the polymer chain.

  20. A Solvent-Free Base Liberation of a Tertiary Aminoalkyl Halide by Flow Chemistry

    DEFF Research Database (Denmark)

    Pedersen, Michael Jønch; Skovby, Tommy; Mealy, Michael J.

    2016-01-01

    A flow setup for base liberation of 3-(N,N-dimethylamino)propyl chloride hydrochloride and solvent-free separation of the resulting free base has been developed. Production in flow profits from an on-demand approach, useful for labile aminoalkyl halides. The requirement for obtaining a dry product...... has been fulfilled by the simple use of a saturated NaOH solution, followed by isolation of the liquid phases by gravimetric separation. The flow setup has an E factor reduction of nearly 50%, and a distillation step has been avoided. The method exemplifies how flow chemistry can be exploited...

  1. Solvent free one pot synthesis of amidoalkyl naphthols over phosphotungstic acid

    Directory of Open Access Journals (Sweden)

    Divya P. Narayanan

    2017-07-01

    Full Text Available Montmorillonite KSF clay was effectively modified by the encapsulation of phosphotungstic acid into the clay layers via sonication followed by incipient wet impregnation method. The prepared catalysts were characterized by X-ray diffraction (XRD, Fourier-transform infrared spectroscopy (FTIR and scanning electron microscopy (SEM techniques. The catalytic activities of the prepared systems were investigated in the solvent free synthesis of amidoalkyl naphthols by the multicomponent one-pot condensation of an aldehyde, β-naphthol and an amide or urea. Excellent yield, shorter reaction time, easy work-up, and reusability of the catalyst are the main attractions of this green procedure.

  2. Development of solvent-free ambient mass spectrometry for green chemistry applications.

    Science.gov (United States)

    Liu, Pengyuan; Forni, Amanda; Chen, Hao

    2014-04-15

    Green chemistry minimizes chemical process hazards in many ways, including eliminating traditional solvents or using alternative recyclable solvents such as ionic liquids. This concept is now adopted in this study for monitoring solvent-free reactions and analysis of ionic liquids, solids, and catalysts by mass spectrometry (MS), without using any solvent. In our approach, probe electrospray ionization (PESI), an ambient ionization method, was employed for this purpose. Neat viscous room-temperature ionic liquids (RTILs) in trace amounts (e.g., 25 nL) could be directly analyzed without sample carryover effect, thereby enabling high-throughput analysis. With the probe being heated, it can also ionize ionic solid compounds such as organometallic complexes as well as a variety of neat neutral solid chemicals (e.g., amines). More importantly, moisture-sensitive samples (e.g., [bmim][AlCl4]) can be successfully ionized. Furthermore, detection of organometallic catalysts (including air-sensitive [Rh-MeDuPHOS][OTf]) in ionic liquids, a traditionally challenging task due to strong ion suppression effect from ionic liquids, can be enabled using PESI. In addition, PESI can be an ideal approach for monitoring solvent-free reactions. Using PESI-MS, we successfully examined the alkylation of amines by alcohols, the conversion of pyrylium into pyridinium, and the condensation of aldehydes with indoles as well as air- and moisture-sensitive reactions such as the oxidation of ferrocene and the condensation of pyrazoles with borohydride. Interestingly, besides the expected reaction products, the reaction intermediates such as the monopyrazolylborate ion were also observed, providing insightful information for reaction mechanisms. We believe that the presented solvent-free PESI-MS method would impact the green chemistry field.

  3. Synthetic Self-Healing Methods

    Energy Technology Data Exchange (ETDEWEB)

    Bello, Mollie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-06-02

    Given enough time, pressure, temperature fluctuation, and stress any material will fail. Currently, synthesized materials make up a large part of our everyday lives, and are used in a number of important applications such as; space travel, under water devices, precise instrumentation, transportation, and infrastructure. Structural failure of these material scan lead to expensive and dangerous consequences. In an attempt to prolong the life spans of specific materials and reduce efforts put into repairing them, biologically inspired, self-healing systems have been extensively investigated. The current review explores recent advances in three methods of synthesized self-healing: capsule based, vascular, and intrinsic. Ideally, self-healing materials require no human intervention to promote healing, are capable of surviving all the steps of polymer processing, and heal the same location repeatedly. Only the vascular method holds up to all of these idealities.

  4. Synthesis and characterization of solvent-free ionic molybdenum disulphide (MoS2) nanofluids

    International Nuclear Information System (INIS)

    Gu, Shu-Ying; Gao, Xie-Feng; Zhang, Yi-Han

    2015-01-01

    A development of the novel and stable solvent-free ionic MoS 2 nanofluids by a facile and scalable hydrothermal method is presented. The nanofluids were synthesized by surface functionalizing nanoscale MoS 2 from hydrothermal synthesis with a charged corona, and ionically tethering with oligomeric chains as a canopy. The structures and properties of the nanofluids were characterized by Fourier transform infrared (FTIR), nuclear magnetic resonance (NMR, 1 H), differential scanning calorimeter (DSC), thermogravimetric analysis (TGA) and ARES rheometer. The obtained solvent-free nanofluids are homogeneous, stable amber-like fluids with no evidence of phase separation. The nanofluids could be easily dispersed in both aqueous and organic solvents to form transparent and stable liquids due to the ionic nature and the presence of oligomeric polymer chains. It was found that the solvent-free nanofluids with up to 32 wt% inorganic content show Newtonian rheological behaviors due to the high graft density and uniform dispersion of inorganic cores, indicating that the nanofluids would have a stable lubricating performance. As reported in our previous communication, the nanofluids showing lower, more stable friction coefficients of less than 0.1 with self-healing lubricating behaviors. For deeper understanding of the nanofluids, the details of synthesis, chemical structures, rheological behaviors and molecular dynamics of the nanofluids were investigated in details. The rheological behaviors can be tailored by varying the grafting density of the canopy. Dynamic results of the canopy of the MoS 2 nanofluids show that inorganic MoS 2 cores have hindrance effect on the canopy segmental motions above 253 K due to their effect to the mobility of anions and the departing-recombining motions between the paired cations and anions. - Highlights: • A development of the novel synthesis of solvent-free MoS 2 nanofluids is presented. • The rheological behaviors can be tailored by

  5. Synthesis and characterization of solvent-free ionic molybdenum disulphide (MoS{sub 2}) nanofluids

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Shu-Ying, E-mail: gushuying@tongji.edu.cn [School of Materials Science and Engineering, Tongji University, Shanghai 201804 (China); Key Laboratory of Advanced Civil Engineering Materials, Ministry of Education, School of Materials Science and Engineering, Tongji University, Shanghai 201804 (China); Gao, Xie-Feng; Zhang, Yi-Han [School of Materials Science and Engineering, Tongji University, Shanghai 201804 (China)

    2015-01-15

    A development of the novel and stable solvent-free ionic MoS{sub 2} nanofluids by a facile and scalable hydrothermal method is presented. The nanofluids were synthesized by surface functionalizing nanoscale MoS{sub 2} from hydrothermal synthesis with a charged corona, and ionically tethering with oligomeric chains as a canopy. The structures and properties of the nanofluids were characterized by Fourier transform infrared (FTIR), nuclear magnetic resonance (NMR, {sup 1}H), differential scanning calorimeter (DSC), thermogravimetric analysis (TGA) and ARES rheometer. The obtained solvent-free nanofluids are homogeneous, stable amber-like fluids with no evidence of phase separation. The nanofluids could be easily dispersed in both aqueous and organic solvents to form transparent and stable liquids due to the ionic nature and the presence of oligomeric polymer chains. It was found that the solvent-free nanofluids with up to 32 wt% inorganic content show Newtonian rheological behaviors due to the high graft density and uniform dispersion of inorganic cores, indicating that the nanofluids would have a stable lubricating performance. As reported in our previous communication, the nanofluids showing lower, more stable friction coefficients of less than 0.1 with self-healing lubricating behaviors. For deeper understanding of the nanofluids, the details of synthesis, chemical structures, rheological behaviors and molecular dynamics of the nanofluids were investigated in details. The rheological behaviors can be tailored by varying the grafting density of the canopy. Dynamic results of the canopy of the MoS{sub 2} nanofluids show that inorganic MoS{sub 2} cores have hindrance effect on the canopy segmental motions above 253 K due to their effect to the mobility of anions and the departing-recombining motions between the paired cations and anions. - Highlights: • A development of the novel synthesis of solvent-free MoS{sub 2} nanofluids is presented. • The rheological

  6. Highly Efficient Method for Solvent-Free Synthesis of Diarylmethane ...

    African Journals Online (AJOL)

    NICO

    2011-02-25

    Feb 25, 2011 ... aFaculty of Chemistry, Bu-Ali Sina University, P.O. Box 651783868, Hamedan, Iran. ... Arylmethanes are useful compounds in organic synthesis and industry1 ... ketones,9,10 catalytic condensation of the Grignard reagent with.

  7. A three-dimensional graphene aerogel containing solvent-free polyaniline fluid for high performance supercapacitors.

    Science.gov (United States)

    Gao, Zhaodongfang; Yang, Junwei; Huang, Jing; Xiong, Chuanxi; Yang, Quanling

    2017-11-23

    Conducting polymer based supercapacitors usually suffer from the difficulty of achieving high specific capacitance and good long-term stability simultaneously. In this communication, a long-chain protonic acid doped solvent-free self-suspended polyaniline (S-PANI) fluid and reduced graphene oxide (RGO) were used to fabricate a three-dimensional RGO/S-PANI aerogel via a simple self-assembled hydrothermal method, which was then applied as a supercapacitor electrode. This 3D RGO/S-PANI composite exhibited a high specific capacitance of up to 480 F g -1 at a current density of 1 A g -1 and 334 F g -1 even at a high discharge rate of 40 A g -1 . An outstanding cycling performance, with 96.14% of the initial capacitance remaining after 10 000 charging/discharging cycles at a rate of 10 A g -1 , was also achieved. Compared with the conventional conducting polymer materials, the 3D RGO/S-PANI composite presented more reliable rate capability and cycling stability. Moreover, S-PANI possesses excellent processability, thereby revealing its enormous potential in large scale production. We anticipate that the solvent-free fluid technique is also applicable to the preparation of other 3D graphene/polymer materials for energy storage.

  8. Nanocrystalline copper(II oxide-catalyzed one-pot four- component synthesis of polyhydroquinoline derivativesunder solvent-free conditions

    Directory of Open Access Journals (Sweden)

    J. Safaei-Ghomi

    2011-07-01

    Full Text Available The efficient and environmentally friendly method for the one-pot synthesis of polyhydroquinolines has been developed in the presence of CuO nanoparticles. The multi-component reactions of aldehydes, dimedone, ethyl acetoacetate andammonium acetate were carried out under solvent-free conditions to afford some polyhydroquinoline derivatives. This method provides several advantages including high yields, low reaction times and little catalyst loading.

  9. Solvent-free functionalization of carbon nanotube buckypaper with amines

    International Nuclear Information System (INIS)

    Basiuk, Elena V.; Ramírez-Calera, Itzel J.; Meza-Laguna, Victor; Abarca-Morales, Edgar; Pérez-Rey, Luis A.; Re, Marilena; Prete, Paola; Lovergine, Nico

    2015-01-01

    Graphical abstract: - Abstract: We demonstrate the possibility of fast and efficient solvent-free functionalization of buckypaper (BP) mats prefabricated from oxidized multiwalled carbon nanotubes (MWCNTs-ox), by using three representative amines of different structure: one monofunctional aliphatic amine, octadecylamine (ODA), one monofunctional aromatic amine, 1-aminopyrene (AP), and one aromatic diamine, 1,5-diaminonaphthalene (DAN). The functionalization procedure, which relies on the formation of amide bonds with carboxylic groups of MWCNTs-ox, is performed at 150–180 °C under reduced pressure and takes about 4 h including auxiliary degassing. The amine-treated BP samples (BP-ODA, BP-AP and BP-DAN, respectively) were characterized by means of a variety of analytical techniques such as Fourier-transform infrared and Raman spectroscopy, thermogravimetric and differential thermal analysis, scanning and transmission electron microscopy, scanning helium ion microscopy, and atomic force microscopy. The highest amine content was found for BP-ODA, and the lowest one was observed for BP-DAN, with a possible contribution of non-covalently bonded amine molecules in all three cases. Despite of some differences in spectral and morphological characteristics for amine-functionalized BP samples, they have in common a dramatically increased stability in water as compared to pristine BP and, on the other hand, a relatively invariable electrical conductivity.

  10. Solvent-free covalent functionalization of nanodiamond with amines

    International Nuclear Information System (INIS)

    Basiuk, Elena V.; Santamaría-Bonfil, Adriana; Meza-Laguna, Victor; Gromovoy, Taras Yu.; Alvares-Zauco, Edgar; Contreras-Torres, Flavio F.; Rizo, Juan; Zavala, Guadalupe; Basiuk, Vladimir A.

    2013-01-01

    Covalent functionalization of pristine nanodiamond (ND) with 1,12-diaminododecane (DAD), 1,5-diaminonaphthalene (DAN), poly(ethylene glycol) diamine (PEGDA), and polyethylenimine (PEI) was carried out by employing solvent-free methodology, which is based on thermal instead of chemical activation of carboxylic groups at ND surface. A simple solubility/dispersibility test in water and isopropanol showed an increased lipophilicity of the functionalized samples. The conversion of intrinsic carboxylic groups into the corresponding amide derivatives was characterized by means of Fourier-transform infrared spectroscopy. Thermogravimetric analysis found the highest organic content of about 18% for ND-PEI, followed by ND-DAD, for which the contribution of covalently bonded diamine was estimated to be of ca. 10%. In temperature programmed desorption measurements with mass spectrometric detection, the presence of organic functionalizing groups changed both mass spectra and thermodesorption curves of ND. The changes in morphology of primary and secondary ND aggregates were characterized by scanning and transmission electron microscopy, as well as by atomic force microscopy. The current–voltage measurements under atmospheric pressure found an increased conductivity for ND-DAN, as compared to that of pristine ND, whereas for ND-DAD, ND-PEGDA and ND-PEI a dramatic decrease in conductivity due to functionalization was observed.

  11. Solvent-free covalent functionalization of nanodiamond with amines

    Energy Technology Data Exchange (ETDEWEB)

    Basiuk, Elena V., E-mail: elenagd@unam.mx [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México D.F. (Mexico); Santamaría-Bonfil, Adriana; Meza-Laguna, Victor [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México D.F. (Mexico); Gromovoy, Taras Yu. [Institute of Surface Chemistry, National Academy of Sciences of the Ukraine, Gen. Naumova 17, 03164 Kiev (Ukraine); Alvares-Zauco, Edgar [Facultad de Ciencias, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México D.F. (Mexico); Contreras-Torres, Flavio F.; Rizo, Juan [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México D.F. (Mexico); Zavala, Guadalupe [Instituto de Biotecnología, Universidad Nacional Autónoma de México, Av. Universidad 2001, Col. Chamilpa, 62210, Cuernavaca, Morelos (Mexico); Basiuk, Vladimir A. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México, D.F. (Mexico)

    2013-06-15

    Covalent functionalization of pristine nanodiamond (ND) with 1,12-diaminododecane (DAD), 1,5-diaminonaphthalene (DAN), poly(ethylene glycol) diamine (PEGDA), and polyethylenimine (PEI) was carried out by employing solvent-free methodology, which is based on thermal instead of chemical activation of carboxylic groups at ND surface. A simple solubility/dispersibility test in water and isopropanol showed an increased lipophilicity of the functionalized samples. The conversion of intrinsic carboxylic groups into the corresponding amide derivatives was characterized by means of Fourier-transform infrared spectroscopy. Thermogravimetric analysis found the highest organic content of about 18% for ND-PEI, followed by ND-DAD, for which the contribution of covalently bonded diamine was estimated to be of ca. 10%. In temperature programmed desorption measurements with mass spectrometric detection, the presence of organic functionalizing groups changed both mass spectra and thermodesorption curves of ND. The changes in morphology of primary and secondary ND aggregates were characterized by scanning and transmission electron microscopy, as well as by atomic force microscopy. The current–voltage measurements under atmospheric pressure found an increased conductivity for ND-DAN, as compared to that of pristine ND, whereas for ND-DAD, ND-PEGDA and ND-PEI a dramatic decrease in conductivity due to functionalization was observed.

  12. Green Michael addition of thiols to electron deficient alkenes using KF/alumina and recyclable solvent or solvent-free conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lenardao, Eder J.; Trecha, Danusia O.; Ferreira, Patricia da C.; Jacob, Raquel G.; Perin, Gelson [Universidade Federal de Pelotas (UFPEL), Pelotas, RS (Brazil). Inst. de Quimica e Geociencias. Lab. de Sintese Organica Limpa (LASOL)]. E-mail: lenardao@ufpel.edu.br

    2009-07-01

    A general, clean and easy method for the conjugated addition of thiols to citral promoted by KF/Al{sub 2}O{sub 3} under solvent-free or using glycerin as recyclable solvent at room temperature is described. It was found that the solvent-free protocol is applicable to the direct reaction of thiophenol with the essential oil of lemon grass (Cymbopogon citratus) to afford directly 3,7-dimethyl-3-(phenylthio)oct-6-enal, a potential bactericide agent. The method was extended to other electron-poor alkenes with excellent results. For the solvent-free protocol, the use of microwave irradiation facilitated the procedure and accelerates the reaction. The catalytic system and glycerin can be reused up to three times without previous treatment with comparable activity. (author)

  13. Solvent-Free Patterning of Colloidal Quantum Dot Films Utilizing Shape Memory Polymers

    Directory of Open Access Journals (Sweden)

    Hohyun Keum

    2017-01-01

    Full Text Available Colloidal quantum dots (QDs with properties that can be tuned by size, shape, and composition are promising for the next generation of photonic and electronic devices. However, utilization of these materials in such devices is hindered by the limited compatibility of established semiconductor processing techniques. In this context, patterning of QD films formed from colloidal solutions is a critical challenge and alternative methods are currently being developed for the broader adoption of colloidal QDs in functional devices. Here, we present a solvent-free approach to patterning QD films by utilizing a shape memory polymer (SMP. The high pull-off force of the SMP below glass transition temperature (Tg in conjunction with the conformal contact at elevated temperatures (above Tg enables large-area, rate-independent, fine patterning while preserving desired properties of QDs.

  14. An efficient solvent-free synthesis of meso-substituted dipyrromethanes using SnCl2•2H2O catalysis

    Directory of Open Access Journals (Sweden)

    Kabeer Ahmed Shaikh

    2012-07-01

    Full Text Available Highly rapid and simple methodology has been developed for the quantitative synthesis of meso-substituted dipyrromethanes from lowest pyrrole/aldehyde ratio. The method was carried out by using SnCl2•2H2O as a catalyst under solvent free condition. The method is environmentally friendly, easy to workup, and gives excellent yield of the products.

  15. Solvent-free Oxidation of Alcohols and Mild Catalytic Deprotection of ...

    African Journals Online (AJOL)

    tetrabromobenzene- 1,3-disulphonamide (TBBDA) can be used for solvent-free oxidation of primary and secondary alcohols to the corresponding carbonyl compounds without over-oxidation, and efficient catalytic deprotection of various silyl ...

  16. Multicomponent One-Pot Synthesis of Substituted Hantzsch Thiazole Derivatives Under Solvent Free Conditions

    Directory of Open Access Journals (Sweden)

    Bhaskar S. Dawane

    2009-01-01

    Full Text Available Thiazole derivatives were prepared by one-pot procedure by the reaction of α-haloketones, thiourea and substituted o-hydroxybenzaldehyde under environmentally solvent free conditions.

  17. Solvent-free synthesis of nanosized hierarchical sodalite zeolite with a multi-hollow polycrystalline structure

    KAUST Repository

    Zeng, Shangjing; Wang, Runwei; Li, Ang; Huang, Weiwei; Zhang, Zongtao; Qiu, Shilun

    2016-01-01

    A solvent-free route is developed for preparing nanoscale sodalite zeolite with a multi-hollow structure. Furthermore, the synthesis of nanosized hollow sodalite polycrystalline aggregates with a mesoporous structure and high crystallinity

  18. Solvent Free Preparation of p-Cymene from Limonene Using Vietnamese Montmorillonite

    DEFF Research Database (Denmark)

    Nguyen, Thao-Tran Thi; Duus, Fritz; Le, Thach Ngoc

    2013-01-01

    p-Cymene, an important intermediate in industrial chemistry, has been prepared in good yields by thermally induced dehydrogenation of limonene under solvent-free reaction conditions using Vietnamese montmorillonite as an efficient green catalyst.......p-Cymene, an important intermediate in industrial chemistry, has been prepared in good yields by thermally induced dehydrogenation of limonene under solvent-free reaction conditions using Vietnamese montmorillonite as an efficient green catalyst....

  19. Synthesis of 1-amidoalkyl-2-naphthols based on a three-component reaction catalyzed by boric acid as a solid heterogeneous catalyst under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Zahed Karimi-Jaberi

    2012-12-01

    Full Text Available An efficient method for the preparation of 1-amidoalkyl-2-naphthols has been described using a multi-component, one-pot condensation reaction of 2-naphthol, aldehydes and amides in the presence of boric acid under solvent-free conditions.DOI: http://dx.doi.org/10.4314/bcse.v26i3.18

  20. Chemoselective Preparation of 1,1-Diacetates from Aldehydes, Mediated by a Keggin Heteropolyacid Under Solvent Free Conditions at Room Temperature

    Directory of Open Access Journals (Sweden)

    G. Romanelli

    2007-01-01

    Full Text Available A simple, general and efficient method has been developed for the conversion of aldehydes to 1,1-diacetates using acetic anhydride, a catalytic amount of non commercial Keggin heteropolyacid (H6 PalMo11O40 (1% mol in solvent free conditions at room temperature. Aromatic and aliphatic, simple and conjugated aldehydes were protected with excellent yields.

  1. Synthesis of β-phenylchalcogeno-α, β-unsaturated esters, ketones and nitriles using microwave and solvent-free conditions

    International Nuclear Information System (INIS)

    Lenardao, Eder J.; Silva, Marcio S.; Mendes, Samuel R.; Azambuja, Francisco de; Jacob, Raquel G.; Perin, Gelson; Santos, Paulo Cesar Silva dos

    2007-01-01

    A simple, clean and efficient solvent-free protocol was developed for hydrochalcogenation of alkynes containing a Michael acceptor (ester, ketone and nitrile) with phenylchalcogenolate anions generated in situ from the respective diphenyl dichalcogenide (Se, Te, S), using alumina supported sodium borohydride. This efficient and improved method is general and furnishes the respective (Z)-β-phenylchalcogeno-α,β-unsaturated esters, ketones and nitriles, in good yield and higher selectivity, compared with those that use organic solvent and inert atmosphere. The use of microwave (MW) irradiation facilitates the procedure and accelerates the reaction. (author)

  2. An Efficient Solvent-Free Protocol for the Synthesis of 1-Amidoalkyl-2-naphthols using Silica-Supported Molybdatophosphoric Acid

    Directory of Open Access Journals (Sweden)

    Abdolkarim Zare

    2010-01-01

    Full Text Available A highly efficient, green and simple solvent-free method for the synthesis of 1-amidoalkyl-2-naphthols via one-pot multi-components condensation of 2-naphthol, aromatic aldehydes and amides in the presence of catalytic amount of silica-supported molybdatophosphoric acid (H3PMo12O40.xH2O/SiO2, 3.17 mol% is described. The reactions proceed rapidly and the title compounds are produced in high to excellent yields.

  3. New Synthetic Methods for Hypericum Natural Products

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Insik [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    Organic chemistry has served as a solid foundation for interdisciplinary research areas, such as molecular biology and medicinal chemistry. An understanding of the biological activities and structural elucidations of natural products can lead to the development of clinically valuable therapeutic options. The advancements of modern synthetic methodologies allow for more elaborate and concise natural product syntheses. The theme of this study centers on the synthesis of natural products with particularly challenging structures and interesting biological activities. The synthetic expertise developed here will be applicable to analog syntheses and to other research problems.

  4. An Efficient, Solvent-Free Process for Synthesizing Anhydrous MgCl2

    Energy Technology Data Exchange (ETDEWEB)

    Motkuri, Radha K.; Vemuri, Venkata Rama S.; Barpaga, Dushyant; Schaef, Herbert T.; Loring, John S.; Martin, Paul F.; Lao, David; Nune, Satish K.; McGrail, Bernard P.

    2018-01-02

    A new efficient and solvent-free method for the synthesis of anhydrous MgCl2 from its hexahydrate is proposed. Fluidized dehydration of MgCl2·6H2O feedstock at 200 °C in a porous bed reactor yields MgCl2·nH2O (0 < n < 1), which has a similar diffraction pattern as activated MgCl2. The MgCl2·nH2O is then ammoniated directly using liquefied NH3 in the absence of solvent to form MgCl2·6NH3. Calcination of the hexammoniate complex at 300 °C then yields anhydrous MgCl2. Both dehydration and deammoniation were thoroughly studied using in situ as well as ex situ characterization techniques. Specifically, a detailed understanding of the dehydration process was monitored by in situ PXRD and in situ FTIR techniques where formation of salt with nH2O (n = 4, 2, 1, <1) was characterized. Given the reduction in thermal energy required to produce dehydrated feedstock with this method compared with current strategies, significant cost benefits are expected. Overall, the combined effect of activation, macroporosity, and coordinated water depletion allows the formation of hexammoniate without using solvent, thus minimizing waste formation.

  5. Diffusivities, viscosities, and conductivities of solvent-free ionically grafted nanoparticles

    KAUST Repository

    Hong, Bingbing; Panagiotopoulos, Athanassios Z.

    2013-01-01

    A new class of conductive composite materials, solvent-free ionically grafted nanoparticles, were modeled by coarse-grained molecular dynamics methods. The grafted oligomeric counterions were observed to migrate between different cores, contributing to the unique properties of the materials. We investigated the dynamics by analyzing the dependence on temperature and structural parameters of the transport properties (self-diffusion coefficients, viscosities and conductivities) and counterion migration kinetics. Temperature dependence of all properties follows the Arrhenius equation, but chain length and grafting density have distinct effects on different properties. In particular, structural effects on the diffusion coefficients are described by the Rouse model and the theory of nanoparticles diffusing in polymer solutions, viscosities are strongly influenced by clustering of cores, and conductivities are dominated by the motions of oligomeric counterions. We analyzed the migration kinetics of oligomeric counterions in a manner analogous to unimer exchange between micellar aggregates. The counterion migrations follow the "double-core" mechanism and are kinetically controlled by neighboring-core collisions. © 2013 The Royal Society of Chemistry.

  6. Preparation of Ultra-fine Calcium Carbonate by a Solvent-free ...

    African Journals Online (AJOL)

    The treatment of calcium chloride with sodium carbonate under solvent-free conditions with a supersonic airflow and at a low heating temperature leads to the synthesis of ultra-fine calcium carbonate. The reaction not only involves mild conditions, a simple operation, and high yields but also gives a high conversion rate.

  7. Solvent-free synthesis of nanosized hierarchical sodalite zeolite with a multi-hollow polycrystalline structure

    KAUST Repository

    Zeng, Shangjing

    2016-08-03

    A solvent-free route is developed for preparing nanoscale sodalite zeolite with a multi-hollow structure. Furthermore, the synthesis of nanosized hollow sodalite polycrystalline aggregates with a mesoporous structure and high crystallinity is investigated by adding an organosilane surfactant as a mesopore-generating agent.

  8. A Highly Efficient Solvent-Free Acetalization of Aldehydes to 1,1 ...

    African Journals Online (AJOL)

    1,1-Diacetates are prepared in excellent yields from aldehydes and acetic anhydride under solvent-free conditions at room temperature in short reaction times using catalytic amount of sulfonic acid functionalized silica (SiO2-Pr-SO3H) which could be easily handled and removed from the mixture of reaction. Keywords: 1 ...

  9. Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials

    KAUST Repository

    Yu, Hsiu-Yu; Koch, Donald L.

    2013-01-01

    in the ordered phase, the cooperation of the oligomers in filling the space is hindered. Therefore, shorter oligomers feel a stronger entropic penalty in the ordered solid and favor the disordered phase. Strikingly, we found that the solvent-free system has a

  10. Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer

    KAUST Repository

    Kole, Goutam Kumar Umar

    2010-01-01

    A solvent-free porous metal organic framework is constructed by the 3D entanglement of 1D zigzag coordination polymeric chains. The role of solvents and the effect of reaction conditions on such unique entanglement are addressed. © 2010 The Royal Society of Chemistry and the Centre National de la Recherche Scientifique.

  11. Solvent-Free Wittig Reaction: A Green Organic Chemistry Laboratory Experiment

    Science.gov (United States)

    Leung, Sam H.; Angel, Stephen A.

    2004-01-01

    Some Wittig reactions can be carried out by grinding the reactants in a mortar with a pestle for about 20 minutes, as per investigation. A laboratory experiment involving a solvent-free Wittig reaction that can be completed in a three-hour sophomore organic chemistry laboratory class period, are developed.

  12. Solvent-free porous framework resulted from 3D entanglement of 1D zigzag coordination polymer

    KAUST Repository

    Kole, Goutam Kumar Umar; Cairns, Amy J.; Eddaoudi, Mohamed; Vittal, Jagadese J.

    2010-01-01

    A solvent-free porous metal organic framework is constructed by the 3D entanglement of 1D zigzag coordination polymeric chains. The role of solvents and the effect of reaction conditions on such unique entanglement are addressed. © 2010 The Royal

  13. Solvent free amorphisation for pediatric formulations (minitablets) using mesoporous silica

    DEFF Research Database (Denmark)

    Monsuur, Fred; Choudhari, Yogesh; Reddy, Upendra

    2016-01-01

    Introduction: Most silica based amorphisation strategies are using organic solvent loading methods. Towards pediatric formulations this is creating concerns. With this in mind the development of a dry amorphisation strategy was the focus of this study. The high internal surface area of mesoporous...... silica gel is densely crowded with silanol groups, which can provide hydrogen-bonding possibilities with a drug, potentially resulting in amorphisation. Purpose: Amorphous drugs provide an advantage in solubility; however, their low physical stability always remained concern. Additional there was a need...... to understand the mechanism and variables of dry amorphisation. Method: Ibuprofen (IBU) and Syloid® silica at different ratios were co-milled at variable milling times between 1 and 90 min. The interaction with; and amorphisation of IBU; on Syloid® silica was analyzed using SEM, FTIR, DSC and XRD. The co...

  14. Proposed guidelines for synthetic accelerogram generation methods

    International Nuclear Information System (INIS)

    Shaw, D.E.; Rizzo, P.C.; Shukla, D.K.

    1975-01-01

    With the advent of high speed digital computation machines and discrete structural analysis techniques, it has become attractive to use synthetically generated accelerograms as input in the seismic design and analysis of structures. Several procedures are currently available which can generate accelerograms which match a given design response spectra while not paying significant attention to other properties of seismic accelerograms. This paper studies currently available artificial time history generation techniques from the standpoint of various properties of seismic time histories consisting of; 1. Response Spectra; 2. Peak Ground Acceleration; 3. Total Duration; 4. Time dependent enveloping functions defining the rise time to strong motion, duration of significant shaking and decay of the significant shaking portion of the seismic record; 5. Fourier Amplitude and Phase Spectra; 6. Ground Motion Parameters; 7. Apparent Frequency; with the aim of providing guidelines of the time history parameters based on historic strong motion seismic records. (Auth.)

  15. Solvent-free directed patterning of a highly ordered liquid crystalline organic semiconductor via template-assisted self-assembly for organic transistors.

    Science.gov (United States)

    Kim, Aryeon; Jang, Kwang-Suk; Kim, Jinsoo; Won, Jong Chan; Yi, Mi Hye; Kim, Hanim; Yoon, Dong Ki; Shin, Tae Joo; Lee, Myong-Hoon; Ka, Jae-Won; Kim, Yun Ho

    2013-11-20

    Highly ordered organic semiconductor micropatterns of the liquid-crystalline small molecule 2,7-didecylbenzothienobenzothiophene (C10 -BTBT) are fabricated using a simple method based on template-assisted self-assembly (TASA). The liquid crystallinity of C10 -BTBT allows solvent-free fabrication of high-performance printed organic field-effect transistors (OFETs). © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. One-pot solvent-free rapid and green synthesis of 3,4-dihydropyrano[c]chromenes using grindstone chemistry

    Directory of Open Access Journals (Sweden)

    Devji S. Patel

    2016-09-01

    Full Text Available An easy solvent-free method is described for the synthesis of 3,4-dihydropyrano[c]chromenes by a one pot three component coupling reaction of aromatic aldehydes, malononitrile, and 4-hydroxycoumarin using basic ionic liquid as the catalyst by grindstone chemistry. The salient features of this one pot protocol are short reaction times, cleaner reaction profiles and simple workup.

  17. Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials

    KAUST Repository

    Yu, Hsiu-Yu

    2013-07-02

    The transition from a disordered to a face-centered-cubic phase in solvent-free oligomer-tethered nanoparticles is predicted using a density-functional theory for model hard spheres with tethered bead-spring oligomers. The transition occurs without a difference of volume fraction for the two phases, and the phase boundary is influenced by the loss of oligomer configurational entropy relative to an ideal random system in one phase compared with the other. When the particles are localized in the ordered phase, the cooperation of the oligomers in filling the space is hindered. Therefore, shorter oligomers feel a stronger entropic penalty in the ordered solid and favor the disordered phase. Strikingly, we found that the solvent-free system has a later transition than hard spheres for all investigated ratios of oligomer radius of gyration to particle radius. © 2013 American Chemical Society.

  18. Solvent-free synthesis of azomethines, spectral correlations and antimicrobial activities of some E-benzylidene-4-chlorobenzenamines

    Directory of Open Access Journals (Sweden)

    R. Suresh

    2015-07-01

    Full Text Available Some azomethines including substituted benzylidene-4-chlorobenzenamines (E-imines have been synthesized by fly-ash: PTS catalyzed microwave assisted condensation of 4-chloroaniline and substituted benzaldehydes under solvent-free conditions. The yield of the imines has been found to be more than 85%. The purity of all imines has been checked using their physical constants and UV, IR and NMR spectral data. These spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The antimicrobial activities of all imines have been studied using standard methods.

  19. Solvent-Free Biginelli Condensation using Tungstate Sulfuric Acid: a Powerful and Reusable Catalyst for Selective Synthesis

    Directory of Open Access Journals (Sweden)

    Rezvan Rezaee Nasab

    2014-07-01

    Full Text Available Tungstate sulfuric acid (TSA has been prepared and used as a recyclable catalyst for the Biginelli syn-thesis of some biologically active quinazolinones/thiones under solvent-free conditions. This method has advantages such as the avoidance of organic solvents, high yield of pure products, short reaction times, and operational simplicity.  © 2014 BCREC UNDIP. All rightsReceived: 28th April 2014; Revised: 15th May 2014; Accepted: 26th May 2014[ How to Cite: Nasab, R.R., Karami, B., Khodabakhshi, S. (2014. Selective Solvent‐free Biginelli Condensation using Tungstate Sulfuric Acid as Powerful and Reusable Catalyst. Bulletin of Chemical Reaction Engineering & Catalysis, 9 (2: 142-154. (doi:10.9767/bcrec.9.2.6794.148-154][ Permalink/DOI: http://dx.doi.org/10.9767/bcrec.9.2.6794.148-154

  20. Facile synthesis of 1-naphthol azo dyes with nano SiO2/HIO4 under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    A.R. Pourali

    2013-09-01

    Full Text Available Nano-silica supported periodic acid (nano-SPIA has been utilized as a heterogeneous reagent for a highly efficient and one pot synthesis of azo dyes based on 1-naphthol under solvent-free conditions at room temperature. This method has some advantages, the reaction workup is very easy and the catalyst can be easily separated from the reaction mixture and one-pot procedure. The related products have been obtained in good to excellent yields, high purity and short reaction times. The structures of the products have been characterized by several techniques using UV-Vis, FT-IR, 1H NMR, 13C NMR and mass spectra.DOI: http://dx.doi.org/10.4314/bcse.v27i3.13

  1. Solvent-free preparation of co-crystals of phenazine and acridine with vanillin

    Energy Technology Data Exchange (ETDEWEB)

    Braga, Dario, E-mail: dario.braga@unibo.it [Dipartimento di Chimica ' G.Ciamician' , Universita degli studi di Bologna, Via Selmi 2, 40126 Bologna (Italy); Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Rubini, Katia [Dipartimento di Chimica ' G.Ciamician' , Universita degli studi di Bologna, Via Selmi 2, 40126 Bologna (Italy)

    2010-08-10

    Co-crystals of phenazine and acridine with vanillin have been obtained by solvent-free reaction or thermal treatment of the solid reactants: their structures, thermal behaviour and eutectic formation have been investigated via single crystal X-ray diffraction, differential scanning calorimetry (DSC), variable temperature X-ray powder diffraction and hot-stage microscopy (HSM). Polymorph screening of the reagents has also been carried out.

  2. An Efficient, Mild and Solvent-Free Synthesis of Benzene Ring Acylated Harmalines

    Directory of Open Access Journals (Sweden)

    Sabira Begum

    2009-12-01

    Full Text Available A facile synthesis of a series of benzene ring acylated analogues of harmaline has been achieved by Friedel-Crafts acylation under solvent-free conditions at room temperature using acyl halides/acid anhydrides and AlCl3. The reaction afforded 10- and 12-acyl analogues of harmaline in good yield, along with minor quantities of N-acyl-tryptamines and 8-acyl analogues of N-acyltryptamines.

  3. Fe–Al/clay as an efficient heterogeneous catalyst for solvent-free ...

    Indian Academy of Sciences (India)

    SiO2,27 amberlyst-15,28 etc. ... tometer, using Ni-filtered Cu Ka (0.15418 nm) radia- ... The spectral data of some ... C).29 1H NMR ... 3.99(q, j = 7.1 Hz, 2H), 5.12 (s,1H), 7.23 (d, j = 8.35 .... Recyclability was studied in both solvent-free and.

  4. Acid catalyzed solvent free synthesis of new 1-acyl-4-benzhydryl substituted pyrazoles

    International Nuclear Information System (INIS)

    Sher, M.; Kausar, T.; Riaz, N.; Sharif, A.

    2016-01-01

    A convenient, cost effective and environmentally benign methodology has been developed, which delivered fourteen new 1-acyl-4-benzhyrdyl substituted pyrazole derivatives under solvent free conditions. Target compounds were synthesized in good to excellent yields simply by grinding reactants in a pestle and mortar with catalytic amount of conc. H/sub 2/SO/sub 4/. All the newly formed compounds were fully characterized with the help of detailed spectroscopic techniques including FTIR, NMR and GC-MS. (author)

  5. Solvent free oxidation of primary alcohols and diols using thymine iron(III) catalyst.

    Science.gov (United States)

    Al-Hunaiti, Afnan; Niemi, Teemu; Sibaouih, Ahlam; Pihko, Petri; Leskelä, Markku; Repo, Timo

    2010-12-28

    In this study, we developed an efficient and selective iron-based catalyst system for the synthesis of ketones from secondary alcohols and carboxylic acids from primary alcohol. In situ generated iron catalyst of thymine-1-acetate (THA) and FeCl(3) under solvent-free condition exhibits high activity. As an example, 1-octanol and 2-octanol were oxidized to 1-octanoic acid and 2-octanone with 89% and 98% yields respectively.

  6. Solvent-free preparation of co-crystals of phenazine and acridine with vanillin

    International Nuclear Information System (INIS)

    Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Rubini, Katia

    2010-01-01

    Co-crystals of phenazine and acridine with vanillin have been obtained by solvent-free reaction or thermal treatment of the solid reactants: their structures, thermal behaviour and eutectic formation have been investigated via single crystal X-ray diffraction, differential scanning calorimetry (DSC), variable temperature X-ray powder diffraction and hot-stage microscopy (HSM). Polymorph screening of the reagents has also been carried out.

  7. Innovative polymeric system (IPS) for solvent-free lipophilic drug transdermal delivery via dissolving microneedles.

    Science.gov (United States)

    Dangol, Manita; Yang, Huisuk; Li, Cheng Guo; Lahiji, Shayan Fakhraei; Kim, Suyong; Ma, Yonghao; Jung, Hyungil

    2016-02-10

    Lipophilic drugs are potential drug candidates during drug development. However, due to the need for hazardous organic solvents for their solubilization, these drugs often fail to reach the pharmaceutical market, and in doing so highlight the importance of solvent free systems. Although transdermal drug delivery systems (TDDSs) are considered prospective safe drug delivery routes, a system involving lipophilic drugs in solvent free or powder form has not yet been described. Here, we report, for the first time, a novel approach for the delivery of every kind of lipophilic drug in powder form based on an innovative polymeric system (IPS). The phase transition of powder form of lipophilic drugs due to interior chemical bonds between drugs and biodegradable polymers and formation of nano-sized colloidal structures allowed the fabrication of dissolving microneedles (DMNs) to generate a powerful TDDS. We showed that IPS based DMN with powder capsaicin enhances the therapeutic effect for treatment of the rheumatic arthritis in a DBA/1 mouse model compared to a solvent-based system, indicating the promising potential of this new solvent-free platform for lipophilic drug delivery. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Validated method for the detection and quantitation of synthetic ...

    African Journals Online (AJOL)

    These methods were applied to postmortem cases from the Johannesburg Forensic Pathology Services Medicolegal Laboratory (FPS-MLL) to assess the prevalence of these synthetic cannabinoids amongst the local postmortem population. Urine samples were extracted utilizing a solid phase extraction (SPE) method, ...

  9. Perlite-SO3H nanoparticles as an efficient and reusable catalyst for one-pot three-component synthesis of 1,2-dihydro-1-aryl-naphtho[1,2-e][1,3]oxazine-3-one derivatives under both microwave-assisted and thermal solvent-free conditions: Single crystal X-ray structure analysis and theoretical study

    Directory of Open Access Journals (Sweden)

    Ali Ramazani

    2016-01-01

    Full Text Available A general synthetic route for the synthesis of 1,2-dihydro-1-aryl-naphtho[1,2-e][1,3]oxazine-3-one derivatives has been developed using perlite-SO3H nanoparticles as efficient catalyst under both microwave-assisted and thermal solvent-free conditions. The combination of 2-naphthol, aldehyde and urea enabled the synthesis of 1,2-dihydro-1-aryl-naphtho[1,2-e][1,3]oxazine-3-one derivatives in the presence of perlite-SO3H nanoparticles in good to excellent yields. This method provides several advantages like simple work-up, environmentally benign, and shorter reaction times along with high yields. In order to explore the recyclability of the catalyst, the perlite-SO3H nanoparticles in solvent-free conditions were used as catalyst for the same reaction repeatedly and the change in their catalytic activity was studied. It was found that perlite-SO3H nanoparticles could be reused for four cycles with negligible loss of their activity. Single crystal X-ray structure analysis and theoretical studies also were investigated for 4i product. The electronic properties of the compound have been analyzed using DFT calculations (B3LYP/6-311+G*. The FMO analysis suggests that charge transfer takes place within the molecule and the HOMO is localized mainly on naphthalene and oxazinone rings whereas the LUMO resides on the naphthalene ring.

  10. Benefits of EMU Participation : Estimates using the Synthetic Control Method

    NARCIS (Netherlands)

    Verstegen, Loes; van Groezen, Bas; Meijdam, Lex

    2017-01-01

    This paper investigates quantitatively the benefits from participation in the Economic and Monetary Union for individual Euro area countries. Using the synthetic control method, we estimate how real GDP per capita would have developed for the EMU member states, if those countries had not joined the

  11. SOLVENT-FREE TETRAHYDROPYRANYLATION (THP) OF ALCOHOLS AND PHENOLS AND THEIR REGENERATION BY CATALYTIC ALUMINUM CHLORIDE HEXAHYDRATE

    Science.gov (United States)

    Catalytic amount of aluminum chloride hexahydrate enables solvent-free tetrahydropyranylation (THP) of alcohols and phenols at moderate temperatures. A simple addition of methanol helps to regenerate the corresponding alcohols and phenols thus rendering these protection and depro...

  12. Mechanochemical Solvent-Free and Catalyst-Free One-Pot Synthesis of Pyrano[2,3-d]Pyrimidine-2,4(1H,3H-Diones with Quantitative Yields

    Directory of Open Access Journals (Sweden)

    M. Reza Naimi-Jamal

    2009-01-01

    Full Text Available Solvent-free synthesis of pyrano[2,3-d]pyrimidine-2,4(1H,3H-diones by ball-milling and without any catalyst is described. This method provides several advantages such as being environmentally friendly, using a simple workup procedure, and affording high yields.

  13. Microwave-Assisted Solvent-Free Synthesis of Zeolitic Imidazolate Framework-67

    Directory of Open Access Journals (Sweden)

    Heng Zhang

    2016-01-01

    Full Text Available A microporous metal-organic framework (MOF, cobalt-based zeolitic imidazolate framework-67 (ZIF-67, was synthesized by the combination of solvent-free hand-mill and microwave irradiation, without any organic solvent and within 30 minutes. The hand-milling process can mix the reactants well by the virtue of high moisture/water absorption capacity of reactants. In addition, the outstanding electromagnetic wave absorption capability of cobalt leads to efficient conversion to MOF structures before carbonization. The obtained ZIF-67 possesses high surface area and micropore volume.

  14. In-Vitro Characterization and Oral Bioavailability of Organic Solvent-free Solid Dispersions Containing Telmisartan

    DEFF Research Database (Denmark)

    Cao, Yue; Shi, Li-Li; Cao, Qing-Ri

    2016-01-01

    Poorly water-soluble drugs often suffer from limited or irreproducible clinical response due to their low solubility and dissolution rate. In this study, organic solvent-free solid dispersions (OSF-SDs) containing telmisartan (TEL) were prepared using polyvinylpyrrolidone K30 (PVP K30....... The results from DSC, XRD showed that TEL was molecularly dispersed in the OSF-SDs as an amorphous form. The FT-IR results suggested that intermolecular hydrogen bonding had formed between TEL and its carriers. The OSF-SDs exhibited significantly higher AUC0-24 h and Cmax, but similar Tmax as compared...

  15. Silica Gel-Mediated Organic Reactions under Organic Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Satoaki Onitsuka

    2012-09-01

    Full Text Available Silica gel was found to be an excellent medium for some useful organic transformations under organic solvent-free conditions, such as (1 the Friedel-Crafts-type nitration of arenes using commercial aqueous 69% nitric acid alone at room temperature, (2 one-pot Wittig-type olefination of aldehydes with activated organic halides in the presence of tributyl- or triphenylphosphine and Hunig’s base, and (3 the Morita-Baylis-Hillman reaction of aldehydes with methyl acrylate. After the reactions, the desired products were easily obtained in good to excellent yields through simple manipulation.

  16. Solvent-Free Synthesis of Silver-Nanoparticles and their Use as Additive in Poly (Dicyclopentadiene)

    International Nuclear Information System (INIS)

    Abbas, M.; Kienberger, J.

    2013-01-01

    A solvent-free environmentally benign synthesis of oleylamine capped silver nanoparticles is presented. Upon heating 10 equivalents of oleylamine and silver nitrate at 165 degree C for 30 min followed by a precipitation step using ethanol as the precipitant particles characterized by an Z-average diameter of 63 nm were obtained. Dried particles can be easily redispersed in unpolar solvents or monomers, which pave the way for using them as an antimicrobial additive in polymeric materials. In particular, newly prepared Ag-particles were dispersed in dicyclopentadiene and the mixture was cured using ring opening metathesis polymerization yielding an antimicrobially equipped duroplastic material. (author)

  17. Nonlinear dimensionality reduction methods for synthetic biology biobricks' visualization.

    Science.gov (United States)

    Yang, Jiaoyun; Wang, Haipeng; Ding, Huitong; An, Ning; Alterovitz, Gil

    2017-01-19

    Visualizing data by dimensionality reduction is an important strategy in Bioinformatics, which could help to discover hidden data properties and detect data quality issues, e.g. data noise, inappropriately labeled data, etc. As crowdsourcing-based synthetic biology databases face similar data quality issues, we propose to visualize biobricks to tackle them. However, existing dimensionality reduction methods could not be directly applied on biobricks datasets. Hereby, we use normalized edit distance to enhance dimensionality reduction methods, including Isomap and Laplacian Eigenmaps. By extracting biobricks from synthetic biology database Registry of Standard Biological Parts, six combinations of various types of biobricks are tested. The visualization graphs illustrate discriminated biobricks and inappropriately labeled biobricks. Clustering algorithm K-means is adopted to quantify the reduction results. The average clustering accuracy for Isomap and Laplacian Eigenmaps are 0.857 and 0.844, respectively. Besides, Laplacian Eigenmaps is 5 times faster than Isomap, and its visualization graph is more concentrated to discriminate biobricks. By combining normalized edit distance with Isomap and Laplacian Eigenmaps, synthetic biology biobircks are successfully visualized in two dimensional space. Various types of biobricks could be discriminated and inappropriately labeled biobricks could be determined, which could help to assess crowdsourcing-based synthetic biology databases' quality, and make biobricks selection.

  18. Diffusion-synthetic acceleration methods for discrete-ordinates problems

    International Nuclear Information System (INIS)

    Larsen, E.W.

    1984-01-01

    The diffusion-synthetic acceleration (DSA) method is an iterative procedure for obtaining numerical solutions of discrete-ordinates problems. The DSA method is operationally more complicated than the standard source-iteration (SI) method, but if encoded properly it converges much more rapidly, especially for problems with diffusion-like regions. In this article we describe the basic ideas behind the DSA method and give a (roughly chronological) review of its long development. We conclude with a discussion which covers additional topics, including some remaining open problems an the status of current efforts aimed at solving these problems

  19. Tuning of Activated Carbon for Solvent-Free Oxidation of Cyclohexane

    Directory of Open Access Journals (Sweden)

    Mohammad Sadiq

    2017-01-01

    Full Text Available Activated carbon (AC was prepared from carbonization of phosphoric acid soaked peanut shell at 380°C under inert atmosphere followed by activation with hydrogen peroxide. The AC was characterized by SEM, EDX, FTIR, TGA, and BET surface area and pore size analyzer. The potential of AC as a catalyst for solvent-free oxidation of cyclohexane to cyclohexanol and cyclohexanone (the mixture is known as KA oil in the presence of molecular oxygen at moderate temperature was investigated in a self-designed double-walled three-necked batch reactor. The effect of different reaction parameters/additive was optimized. The maximum productivity value (2.14 mmolg−1 h−1, without base, and 4.85 mmolg−1 h−1, with 0.2 mmol NaOH of the desired product was achieved under optimal reaction parameters: vol 12.5 mL, cat 0.4 g, time 14 h, oxygen flow 40 mL/min (pO2 760 Torr, stirring 1100 rpm, and temp 75°C. The AC shows recyclability for multiple runs without any significant loss in activity. Thus, the AC can be an efficient catalyst, due to low cost, ease of synthesis, easy recovery, nonleaching, and recyclability for multiple uses for the solvent-free oxidation of cyclohexane.

  20. “Flash” Solvent-free Synthesis of Triazoles Using a Supported Catalyst

    Directory of Open Access Journals (Sweden)

    Ibtissem Jlalia

    2009-01-01

    Full Text Available A solvent-free synthesis of 1,4-disubstituted-1,2,3-triazoles using neat azides and alkynes and a copper(I polymer supported catalyst (Amberlyst® A21•CuI is presented herein. As it provides the products in high yields and purities within minutes, this method thus being characterized as a "flash" synthesis, and was exemplified through the synthesis of a 24-compound library on a small scale.

  1. Synthetic

    Directory of Open Access Journals (Sweden)

    Anna Maria Manferdini

    2010-06-01

    Full Text Available Traditionally materials have been associated with a series of physical properties that can be used as inputs to production and manufacturing. Recently we witnessed an interest in materials considered not only as ‘true matter’, but also as new breeds where geometry, texture, tooling and finish are able to provoke new sensations when they are applied to a substance. These artificial materials can be described as synthetic because they are the outcome of various qualities that are not necessarily true to the original matter, but they are the combination of two or more parts, whether by design or by natural processes. The aim of this paper is to investigate the potential of architectural surfaces to produce effects through the invention of new breeds of artificial matter, using micro-scale details derived from Nature as an inspiration.

  2. Antimicrobial nanocapsules: from new solvent-free process to in vitro efficiency

    Directory of Open Access Journals (Sweden)

    Steelandt J

    2014-09-01

    Full Text Available Julie Steelandt,1 Damien Salmon,1,2 Elodie Gilbert,1 Eyad Almouazen,3 François NR Renaud,4 Laurène Roussel,1 Marek Haftek,5 Fabrice Pirot1,2 1University Claude Bernard Lyon 1, Faculty of Pharmacy, Fundamental, Clinical and Therapeutic Aspects of Skin Barrier Function, FRIPharm, Laboratoire de Pharmacie Galénique Industrielle, 2Hospital Pharmacy, FRIPharm, Hospital Edouard Herriot, Hospices Civils de Lyon, 3Laboratoire d’Automatique et de Génie des Procédés, University Claude Bernard Lyon 1, 4University Claude Bernard Lyon 1, UMR CNRS 5510/MATEIS, 5University Claude Bernard Lyon 1, Faculty of Pharmacy, Fundamental, Clinical and Therapeutic Aspects of Skin Barrier Function, FRIPharm, Laboratoire de Dermatologie, Lyon, France Abstract: Skin and mucosal infections constitute recurrent pathologies resulting from either inappropriate antiseptic procedures or a lack of efficacy of antimicrobial products. In this field, nanomaterials offer interesting antimicrobial properties (eg, long-lasting activity; intracellular and tissular penetration as compared to conventional products. The aim of this work was to produce, by a new solvent-free process, a stable and easily freeze-dryable chlorhexidine-loaded polymeric nanocapsule (CHX-NC suspension, and then to assess the antimicrobial properties of nanomaterials. The relevance of the process and the physicochemical properties of the CHX-NCs were examined by the assessment of encapsulation efficiency, stability of the nanomaterial suspension after 1 month of storage, and by analysis of granulometry and surface electric charge of nanocapsules. In vitro antimicrobial activities of the CHX-NCs and chlorhexidine digluconate solution were compared by measuring the inhibition diameters of two bacterial strains (Escherichia coli and Staphylococcus aureus and one fungal strain (Candida albicans cultured onto appropriate media. Based on the findings of this study, we report a new solvent-free process for the

  3. Solvent-Free Microwave-Assisted Extraction of Polyphenols from Olive Tree Leaves: Antioxidant and Antimicrobial Properties.

    Science.gov (United States)

    Şahin, Selin; Samli, Ruya; Tan, Ayşe Seher Birteksöz; Barba, Francisco J; Chemat, Farid; Cravotto, Giancarlo; Lorenzo, José M

    2017-06-24

    Response surface methodology (RSM) and artificial neural networks (ANN) were evaluated and compared in order to decide which method was the most appropriate to predict and optimize total phenolic content (TPC) and oleuropein yields in olive tree leaf ( Olea europaea ) extracts, obtained after solvent-free microwave-assisted extraction (SFMAE). The SFMAE processing conditions were: microwave irradiation power 250-350 W, extraction time 2-3 min, and the amount of sample 5-10 g. Furthermore, the antioxidant and antimicrobial activities of the olive leaf extracts, obtained under optimal extraction conditions, were assessed by several in vitro assays. ANN had better prediction performance for TPC and oleuropein yields compared to RSM. The optimum extraction conditions to recover both TPC and oleuropein were: irradiation power 250 W, extraction time 2 min, and amount of sample 5 g, independent of the method used for prediction. Under these conditions, the maximal yield of oleuropein (0.060 ± 0.012 ppm) was obtained and the amount of TPC was 2.480 ± 0.060 ppm. Moreover, olive leaf extracts obtained under optimum SFMAE conditions showed antibacterial activity against S. aureus and S. epidermidis , with a minimum inhibitory concentration (MIC) value of 1.25 mg/mL.

  4. Solvent-Free Microwave-Assisted Extraction of Polyphenols from Olive Tree Leaves: Antioxidant and Antimicrobial Properties

    Directory of Open Access Journals (Sweden)

    Selin Şahin

    2017-06-01

    Full Text Available Response surface methodology (RSM and artificial neural networks (ANN were evaluated and compared in order to decide which method was the most appropriate to predict and optimize total phenolic content (TPC and oleuropein yields in olive tree leaf (Olea europaea extracts, obtained after solvent-free microwave-assisted extraction (SFMAE. The SFMAE processing conditions were: microwave irradiation power 250–350 W, extraction time 2–3 min, and the amount of sample 5–10 g. Furthermore, the antioxidant and antimicrobial activities of the olive leaf extracts, obtained under optimal extraction conditions, were assessed by several in vitro assays. ANN had better prediction performance for TPC and oleuropein yields compared to RSM. The optimum extraction conditions to recover both TPC and oleuropein were: irradiation power 250 W, extraction time 2 min, and amount of sample 5 g, independent of the method used for prediction. Under these conditions, the maximal yield of oleuropein (0.060 ± 0.012 ppm was obtained and the amount of TPC was 2.480 ± 0.060 ppm. Moreover, olive leaf extracts obtained under optimum SFMAE conditions showed antibacterial activity against S. aureus and S. epidermidis, with a minimum inhibitory concentration (MIC value of 1.25 mg/mL.

  5. Solvent-free ZnO dye-sensitised solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Guillen, E.; Anta, J.A. [Departamento de Sistemas Fisicos, Quimicos y Naturales, Universidad Pablo de Olavide, 41013 Sevilla (Spain); Fernandez-Lorenzo, C.; Alcantara, R.; Martin-Calleja, J. [Departamento de Quimica Fisica, Universidad de Cadiz, Cadiz (Spain)

    2009-10-15

    Dye-sensitised solar cells (DSSC) based on commercial nanostructured zinc oxide combined with imidazolium-based room temperature ionic-liquid electrolytes are characterized. The electrolytes are based on a binary mixture of two ionic liquids, one of them used as source of iodide ions. The composition of this solvent-free electrolyte is optimized with respect to the concentration of iodine and iodide and the effect of additives such as lithium and tert-butylpyridine (TBP) on the photovoltaic performance and the recombination rate is analyzed and discussed. A maximum photoconversion efficiency of 3.4% at 1 sun illumination has been obtained for cells of 0.64 cm{sup 2} active area with the best performing compositions. Diffusion limitations due to slow transport processes are analyzed and discussed. (author)

  6. Development of a new solvent-free flow efficiency coating for natural gas pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Fogg, Graham A.; Morse, Jennifer [Bredero Shaw, Houston, TX (United States)

    2005-07-01

    Pipeline design engineers have traditionally considered external anti-corrosion coatings for the protection of gas transmission pipelines, with less consideration given to the benefits of internal flow efficiency coatings. This paper reviews the benefits of using a traditional solvent-based flow efficiency coating, and the relationship between the internal surface roughness of a pipe, the pressure drop across the pipeline, and the maximum flow rate of gas through the pipeline. To improve upon existing solvent-based flow efficiency coatings, a research program was undertaken to develop a solvent-free coating. The stages in the development of this coating are discussed, resulting in the plant application of the coating and final qualification to API RP 5L2. (author)

  7. Structure of solvent-free grafted nanoparticles: Molecular dynamics and density-functional theory

    KAUST Repository

    Chremos, Alexandros

    2011-01-01

    The structure of solvent-free oligomer-grafted nanoparticles has been investigated using molecular dynamics simulations and density-functional theory. At low temperatures and moderate to high oligomer lengths, the qualitative features of the core particle pair probability, structure factor, and the oligomer brush configuration obtained from the simulations can be explained by a density-functional theory that incorporates the configurational entropy of the space-filling oligomers. In particular, the structure factor at small wave numbers attains a value much smaller than the corresponding hard-sphere suspension, the first peak of the pair distribution function is enhanced due to entropic attractions among the particles, and the oligomer brush expands with decreasing particle volume fraction to fill the interstitial space. At higher temperatures, the simulations reveal effects that differ from the theory and are likely caused by steric repulsions of the expanded corona chains. © 2011 American Institute of Physics.

  8. Olive oil glycero lysis with the immobilized lipase Candida antarctica in a solvent free system

    Energy Technology Data Exchange (ETDEWEB)

    Singh, A. K.; Mukhopadhyay, M.

    2012-11-01

    In the present work, the solvent free lipase glycerolysis of olive oil for the production of monoglyceride (MG) and diglyceride (DG) with an immobilized Lipase B Candida antarctica was studied. The experiments were performed in batch mode by varying different process parameters. The Results showed that the MG and DG yields were dependent on operating conditions such as time, temperature, glycerol/ oil molar ratio, enzyme concentration and the water content in glycerol. The optimum operating time for maximum MG, 26 wt% and DG, 30 wt% production was 3h. The initial reaction rate was studied by varying different process parameters for 1h. The initial reaction rate increased at 30 degree centigrade temperature, 2:1 glycerol/oil molar ratio, 3.5% (w/w) water content in glycerol and 0.015g of enzyme loading. Comparative data for MG and DG yields for different oils and enzyme combinations were presented.

  9. Solvent free low-melt viscosity imide oligomers and thermosetting polymide composites

    Science.gov (United States)

    Chuang, Chun-Hua (Inventor)

    2012-01-01

    .[.This invention relates to the composition and a solvent-free process for preparing novel imide oligomers and polymers specifically formulated with effective amounts of a dianhydride such as 2,3,3',4-biphenyltetra carboxylic dianydride (a-BPDA), at least one aromatic diamine and an endcapped of 4-phenylethynylphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260-280.degree. C. When the imide oligomer melt is cured at about 371.degree. C. in a press or autoclave under 100-500 psi, the melt resulted in a thermoset polyimide having a glass transition temperature (T.sub.g) equal to and above 310.degree. C. A novel feature of this process is that the monomers; namely the dianhydrides, diamines and the endcaps, are melt processable to form imide oligomers at temperatures ranging between 232-280.degree. C. (450-535.degree. F.) without any solvent. These low-melt imide oligomers can be easily processed by resin transfer molding (RTM), vacuum-assisted resin transfer molding (VARTM) or the resin infusion process with fiber preforms e.g. carbon, glass or quartz preforms to produce polyimide matrix composites with 288-343.degree. C. (550-650.degree. F.) high temperature performance capability..]. .Iadd.This invention relates to compositions and a solvent-free reaction process for preparing imide oligomers and polymers specifically derived from effective amounts of dianhydrides such as 2,3,3',4'-biphenyltetracarboxylic dianhydride (a-BPDA), at least one aromatic polyamine and an end-cap such as 4-phenylethynyphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260.degree. C.-280.degree. C..Iaddend.

  10. A Solvent-Free Surface Suspension Melt Technique for Making Biodegradable PCL Membrane Scaffolds for Tissue Engineering Applications

    Directory of Open Access Journals (Sweden)

    Ratima Suntornnond

    2016-03-01

    Full Text Available In tissue engineering, there is limited availability of a simple, fast and solvent-free process for fabricating micro-porous thin membrane scaffolds. This paper presents the first report of a novel surface suspension melt technique to fabricate a micro-porous thin membrane scaffolds without using any organic solvent. Briefly, a layer of polycaprolactone (PCL particles is directly spread on top of water in the form of a suspension. After that, with the use of heat, the powder layer is transformed into a melted layer, and following cooling, a thin membrane is obtained. Two different sizes of PCL powder particles (100 µm and 500 µm are used. Results show that membranes made from 100 µm powders have lower thickness, smaller pore size, smoother surface, higher value of stiffness but lower ultimate tensile load compared to membranes made from 500 µm powder. C2C12 cell culture results indicate that the membrane supports cell growth and differentiation. Thus, this novel membrane generation method holds great promise for tissue engineering.

  11. A synthetic method of solar spectrum based on LED

    Science.gov (United States)

    Wang, Ji-qiang; Su, Shi; Zhang, Guo-yu; Zhang, Jian

    2017-10-01

    A synthetic method of solar spectrum which based on the spectral characteristics of the solar spectrum and LED, and the principle of arbitrary spectral synthesis was studied by using 14 kinds of LED with different central wavelengths.The LED and solar spectrum data were selected by Origin Software firstly, then calculated the total number of LED for each center band by the transformation relation between brightness and illumination and Least Squares Curve Fit in Matlab.Finally, the spectrum curve of AM1.5 standard solar spectrum was obtained. The results met the technical indexes of the solar spectrum matching with ±20% and the solar constant with >0.5.

  12. An Efficient Synthesis of 3,4-Dihydropyrimidin-2(1H-Ones and Thiones Catalyzed by a Novel Brønsted Acidic Ionic Liquid under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Yonghong Zhang

    2015-02-01

    Full Text Available We report here an efficient and green method for Biginelli condensation reaction of aldehydes, β-ketoesters and urea or thiourea catalyzed by Brønsted acidic ionic liquid [Btto][p-TSA] under solvent-free conditions. Compared to the classical Biginelli reaction conditions, the present method has the advantages of giving good yields, short reaction times, near room temperature conditions and the avoidance of the use of organic solvents and metal catalyst.

  13. 21 CFR 182.40 - Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings.

    Science.gov (United States)

    2010-04-01

    ... conjunction with spices, seasonings, and flavorings. 182.40 Section 182.40 Food and Drugs FOOD AND DRUG... in conjunction with spices, seasonings, and flavorings. Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings that are generally recognized as safe for their intended...

  14. 21 CFR 582.40 - Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings.

    Science.gov (United States)

    2010-04-01

    ... conjunction with spices, seasonings, and flavorings. 582.40 Section 582.40 Food and Drugs FOOD AND DRUG... in conjunction with spices, seasonings, and flavorings. Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings that are generally recognized as safe for their intended...

  15. Microwave-assisted clean synthesis of amides via aza-wittig reaction under solvent-free condition

    Energy Technology Data Exchange (ETDEWEB)

    Sathishkumar, Murugan; Nagarajan, Sangaraiah; Velan, Poovan Shanmuga; Dinesh, Murugan; Ponnuswamy, Alagusundaram [Department of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Tamilnadu (India)

    2011-09-15

    A solvent-free microwave-assisted coupling of phosphazenes with acyl chlorides or carboxylic anhydrides in presence of triethylphosphite has been accomplished resulting in a clean synthesis of amides in good yields. Unlike the prevailing time-consuming solution phase methodologies employing chlorinated solvents, benzene (carcinogenic), etc, the present protocol is an eco friendly, rapid and simple approach. (author)

  16. Nafion®-catalyzed microwave-assisted Ritter reaction: An atom-economic solvent-free synthesis of amides

    Science.gov (United States)

    An atom-economic solvent-free synthesis of amides by the Ritter reaction of alcohols and nitriles under microwave irradiation is reported. This green protocol is catalyzed by solid supported Nafion®NR50 with improved efficiency and reduced waste production.

  17. Three Component Synthesis of Substituted 4H-[1,3]Dioxin Derivatives Under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Mohammad Reza Hosseini-Tabatabaei

    2012-01-01

    Full Text Available Reaction between aryl aldehydes, acetylacetone and alkyl isocyanides in solvent-free conditions provided a simple and efficient one-pot route for the synthesis of 1-(2-alkylamino-6-methyl-4-aryl-4H-[1,3]dioxin-5-ylethanone derivatives in excellent yields.

  18. Preparation of ultra-fine calcium carbonate by a solvent-free reaction using supersonic airflow and low temperatures

    OpenAIRE

    Cai, Yan-Hua; Ma, Dong-Mei; Peng, Ru-Fang; Chu, Shi-Jin

    2008-01-01

    The treatment of calcium chloride with sodium carbonate under solvent-free conditions with a supersonic airflow and at a low heating temperature leads to the synthesis of ultra-fine calcium carbonate. The reaction not only involves mild conditions, a simple operation, and high yields but also gives a high conversion rate.

  19. Solvent-free, catalyst-free aza-Michael addition of cyclohexylamine to diethyl maleate: reaction mechanism and kinetics

    Czech Academy of Sciences Publication Activity Database

    Bláha, Michal; Trhlíková, Olga; Podešva, Jiří; Abbrent, Sabina; Steinhart, Miloš; Dybal, Jiří; Dušková-Smrčková, Miroslava

    2018-01-01

    Roč. 74, č. 1 (2018), s. 58-67 ISSN 0040-4020 Institutional support: RVO:61389013 Keywords : Aza-Michael addition * solvent-free * catalyst-free Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 2.651, year: 2016

  20. A transport synthetic acceleration method for transport iterations

    International Nuclear Information System (INIS)

    Ramone, G.L.; Adams, M.L.

    1997-01-01

    A family of transport synthetic acceleration (TSA) methods for iteratively solving within group scattering problems is presented. A single iteration in these schemes consists of a transport sweep followed by a low-order calculation, which itself is a simplified transport problem. The method for isotropic-scattering problems in X-Y geometry is described. The Fourier analysis of a model problem for equations with no spatial discretization shows that a previously proposed TSA method is unstable in two dimensions but that the modifications make it stable and rapidly convergent. The same procedure for discretized transport equations, using the step characteristic and two bilinear discontinuous methods, shows that discretization enhances TSA performance. A conjugate gradient algorithm for the low-order problem is described, a crude quadrature set for the low-order problem is proposed, and the number of low-order iterations per high-order sweep is limited to a relatively small value. These features lead to simple and efficient improvements to the method. TSA is tested on a series of problems, and a set of parameters is proposed for which the method behaves especially well. TSA achieves a substantial reduction in computational cost over source iteration, regardless of discretization parameters or material properties, and this reduction increases with the difficulty of the problem

  1. A Diazonium Salt-Based Ionic Liquid for Solvent-FreeModification of Carbon.

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Chengdu [ORNL; Huang, Jing-Fang [ORNL; Li, Zuojiang [ORNL; Luo, Huimin [ORNL; Dai, Sheng [ORNL

    2006-01-01

    A novel ionic liquid that consists of p-butylbenzenediazonium ions and bis(trifluoromethanesulfonyl)amidates (Tf{sub 2}N{sup -}) has been synthesized as a task-specific ionic liquid for the solvent-free modification of carbon materials. The use of anions Tf{sub 2}N{sup =} is the key to rendering the hydrophobicity, low liquidus temperature, and ionicity to this novel molten salt. This diazonium salt has a melting point of 7.2 C and a moderate electric conductivity of 527 {micro} s/cm at 25 C. The thermal stability of this diazonium ionic liquid has been investigated by high-resolution thermogravimetric analysis (HRTGA). The compound is stable up to about 90 C in nitrogen, which is only 10 C less than its solid tetrafluoroborate counterpart. The modification of carbon materials has been carried out through both thermal and electrochemical activations of diazonium ions to generate free radical intermediates without the use of any solvent. The surface-coverage loadings of 3.38 {micro} mol/m{sup 2} and 6.07 {micro} mol/m{sup 2} for covalently attached organic functionalities have been achieved by the thermally induced functionalization and electrochemically assisted reaction, respectively.

  2. An insight on acyl migration in solvent-free ethanolysis of model triglycerides using Novozym 435.

    Science.gov (United States)

    Sánchez, Daniel Alberto; Tonetto, Gabriela Marta; Ferreira, María Luján

    2016-02-20

    In this work, the ethanolysis of triglycerides catalyzed by immobilized lipase was studied, focusing on the secondary reaction of acyl migration. The catalytic tests were performed in a solvent-free reaction medium using Novozym 435 as biocatalyst. The selected experimental variables were biocatalyst loading (5-20mg), reaction time (30-90min), and chain length of the fatty acids in triglycerides with and without unsaturation (short (triacetin), medium (tricaprylin) and long (tripalmitin/triolein)). The formation of 2-monoglyceride by ethanolysis of triglycerides was favored by long reaction times and large biocatalyst loading with saturated short- to medium-chain triglycerides. In the case of long-chain triglycerides, the formation of this monoglyceride was widely limited by acyl migration. In turn, acyl migration increased the yield of ethyl esters and minimized the content of monoglycerides and diglycerides. Thus, the enzymatic synthesis of biodiesel was favored by long-chain triglycerides (which favor the acyl migration), long reaction times and large biocatalyst loading. The conversion of acylglycerides made from long-chain fatty acids with unsaturation was relatively low due to limitations in their access to the active site of the lipase. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Solvent Free Low-Melt Viscosity Imide Oligomers And Thermosetting Polyimide Composites

    Science.gov (United States)

    Chuang, CHun-Hua (Inventor)

    2006-01-01

    This invention relates to the composition and a solvent-free process for preparing novel imide oligomers and polymers specifically formulated with effective amounts of a dianhydride such as 2,3,3',4-biphenyltetra carboxylic dianydride (a-BPDA), at least one aromatic diamine' and an endcapped of 4-phenylethynylphthalic anhydride (PEPA) or nadic anhydride to produce imide oligomers that possess a low-melt viscosity of 1-60 poise at 260-280" C. When the imide oligomer melt is cured at about 371 C. in a press or autoclave under 100-500 psi, the melt resulted in a thermoset polyimide having a glass transition temperature (T(sub g)) equal to and above 310 C. A novel feature of this process is that the monomers; namely the dianhydrides, diamines and the endcaps, are melt processable to form imide oligomers at temperatures ranging between 232-280 C. (450-535 F) without any solvent. These low-melt imide oligomers can be easily processed by resin transfer molding (RTM), vacuum-assisted resin transfer molding (VARTM) or the resin infusion process with fiber preforms e.g. carbon, glass or quartz preforms to produce polyimide matrix composites with 288-343C (550-650 F) high temperature performance capability.

  4. Efficient and Highly Selective Solvent-Free Oxidation of Primary Alcohols to Aldehydes Using Bucky Nanodiamond.

    Science.gov (United States)

    Lin, Yangming; Wu, Kuang-Hsu Tim; Yu, Linhui; Heumann, Saskia; Su, Dang Sheng

    2017-09-11

    Selective oxidation of alcohols to aldehydes is widely applicable to the synthesis of various green chemicals. The poor chemoselectivity for complicated primary aldehydes over state-of-the-art metal-free or metal-based catalysts represents a major obstacle for industrial application. Bucky nanodiamond is a potential green catalyst that exhibits excellent chemoselectivity and cycling stability for the selective oxidation of primary alcohols in diverse structures (22 examples, including aromatic, substituted aromatic, unsaturated, heterocyclic, and linear chain alcohols) to their corresponding aldehydes. The results are comparable to reported transition-metal catalysts including conventional Pt/C and Ru/C catalysts for certain substrates under solvent-free conditions. The possible activation process of the oxidant and substrates by the surface oxygen groups and defect species are revealed with model catalysts, ex situ electrochemical measurements, and ex situ attenuated total reflectance. The zigzag edges of sp 2 carbon planes are shown to play a key role in these reactions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Potassium Hydroxide Impregnated Alumina (KOH-Alumina) as a Recyclable Catalyst for the Solvent-Free Multicomponent Synthesis of Highly Functionalized Substituted Pyridazines and/or Substituted Pyridazin-3(2H)-ones under Microwave Irradiation.

    Science.gov (United States)

    Mecadon, Hormi; Myrboh, Bekington

    2011-01-01

    The work described herein employs potassium hydroxide impregnated alumina (KOH-alumina) as a mild, efficient, and recyclable catalyst for a one-pot solvent-free and environmentally safer synthesis of 3,4,6-triarylpyridazines and some substituted pyridazines from active methylene carbonyl species, 1,2-dicarbonyls, and hydrazine hydrate by microwave (MW) irradiation. The method offers highly convergent, inexpensive, and functionality-tolerable procedure for rapid access to important pyridazine compounds in good yields.

  6. Microwave Assisted Convenient One-Pot Synthesis of Coumarin Derivatives via Pechmann Condensation Catalyzed by FeF3 under Solvent-Free Conditions and Antimicrobial Activities of the Products

    Directory of Open Access Journals (Sweden)

    Vahid Vahabi

    2014-08-01

    Full Text Available A rapid and efficient solvent-free one-pot synthesis of coumarin derivatives by Pechmann condensation reactions of phenols with ethyl acetoacetate using FeF3 as a catalyst under microwave irradiation is described. This one-pot synthesis on a solid inorganic support provides the products in good yields. The newly synthesized compounds were systematically characterized by IR, 1H-NMR, 13C-NMR, MS and elemental CHN analyses. The proposed solvent-free microwave irradiation method using the environmentally friendly catalyst FeF3 offers the unique advantages of high yields, shorter reaction times, easy and quick isolation of the products, excellent chemoselectivity, and a one-pot, green synthesis. The products were screened for antimicrobial activity, and the results showed that the compounds reacted against all the tested bacteria.

  7. Vanadium Hydrogen Sulfate Catalyzed Solvent-Free Synthesis of 3,4-Dihydropyrimidin-2(1H)-ones and Bis-(indolyl) methanes

    Energy Technology Data Exchange (ETDEWEB)

    Shirini, F.; Yahyazadeh, A.; Abedini, M.; Langroodi, D. Imani [Univ. of Guilan, Rasht (Iran, Islamic Republic of)

    2010-06-15

    We have developed a mild, simple and efficient method for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones and bis-(indolyl) methanes catalyzed by V(HSO{sub 4}){sub 3}. Based on our studies, this method offers several adavantages including mild reaction conditions, good to high yields of the products, short reaction times, solvent-free reaction conditions and simple experimental procedure. 3,4-Dihydropyrimidin-2(1H)-ones and their derivatives have attracted increasing interest due to their wide range of therapeutical and pharmacological properties, such as antiviral, antitumor, antibacterial, and antiinflammatory properties. Some of them have been successfully used as calcium channel blockers, antihypertensive agents, and α1a-antagonists. Moreover, several marine alkaloids whose molecular structures contain the dihydropyrimidinone core also exhibit interesting biological activities. Therefore, synthesis of these type of compounds is still of great importance.

  8. Vanadium Hydrogen Sulfate Catalyzed Solvent-Free Synthesis of 3,4-Dihydropyrimidin-2(1H)-ones and Bis-(indolyl) methanes

    International Nuclear Information System (INIS)

    Shirini, F.; Yahyazadeh, A.; Abedini, M.; Langroodi, D. Imani

    2010-01-01

    We have developed a mild, simple and efficient method for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones/thiones and bis-(indolyl) methanes catalyzed by V(HSO 4 ) 3 . Based on our studies, this method offers several adavantages including mild reaction conditions, good to high yields of the products, short reaction times, solvent-free reaction conditions and simple experimental procedure. 3,4-Dihydropyrimidin-2(1H)-ones and their derivatives have attracted increasing interest due to their wide range of therapeutical and pharmacological properties, such as antiviral, antitumor, antibacterial, and antiinflammatory properties. Some of them have been successfully used as calcium channel blockers, antihypertensive agents, and α1a-antagonists. Moreover, several marine alkaloids whose molecular structures contain the dihydropyrimidinone core also exhibit interesting biological activities. Therefore, synthesis of these type of compounds is still of great importance

  9. Dipyridine cobalt chloride as an efficient and chemoselective catalyst for the synthesis of 1,1-diacetates under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Sobhan Rezayati

    2014-02-01

    Full Text Available 1,1-Diacetates(acylals were prepared by direct condensation of various aldehydes with acetic anhydride using dipyridine cobalt chloride (CoPy2Cl2 as an efficient and green catalyst under solvent-free conditions at room temperature. The important features of this catalyst method are that the catalyst is solid, stable at high temperatures, soluble in water, stable in air, immiscible in common organic solvents, and low toxic and, above all, it is reusable. CoPy2Cl2 can be recycled after a simple work-up and reused at least five runs without appreciable loss of its catalytic activity. High chemo-selectivity toward aldehyde in the presence of ketones is another advantage of the present method which provides selective protection of aldehydes in their mixtures with ketones.

  10. Solvent-free optical recording of structural colours on pre-imprinted photocrosslinkable nanostructures

    Science.gov (United States)

    Jiang, Hao; Rezaei, Mohamad; Abdolahi, Mahssa; Kaminska, Bozena

    2017-09-01

    Optical digital information storage media, despite their ever-increasing storage capacity and data transfer rate, are vulnerable to the potential risk of turning inaccessible. For this reason, long-term eye-readable full-colour optical archival storage is in high demand for preserving valuable information from cultural, intellectual, and scholarly resources. However, the concurrent requirements in recording colours inexpensively and precisely, and preserving colours for the very long term (for at least 100 years), have not yet been met by existing storage techniques. Structural colours hold the promise to overcome such challenges. However, there is still the lack of an inexpensive, rapid, reliable, and solvent-free optical patterning technique for recording structural colours. In this paper, we introduce an enabling technique based on optical and thermal patterning of nanoimprinted SU-8 nanocone arrays. Using photocrosslinking and thermoplastic flow of SU-8, diffractive structural colours of nanocone arrays are recorded using ultra-violet (UV) exposure followed by the thermal development and reshaping of nanocones. Different thermal treatment procedures in reshaping nanocones are investigated and compared, and two-step progressive baking is found to allow the controllable reshaping of nanocones. The height of the nanocones and brightness of diffractive colours are modulated by varying the UV exposure dose to enable grey-scale patterning. An example of recorded full-colour image through half-tone patterning is also demonstrated. The presented technique requires only low-power continuous-wave UV light and is very promising to be adopted for professional and consumer archival storage applications.

  11. Application of 2k Full Factorial Design in Optimization of Solvent-Free Microwave Extraction of Ginger Essential Oil

    Directory of Open Access Journals (Sweden)

    Mumtaj Shah

    2014-01-01

    Full Text Available The solvent-free microwave extraction of essential oil from ginger was optimized using a 23 full factorial design in terms of oil yield to determine the optimum extraction conditions. Sixteen experiments were carried out with three varying parameters, extraction time, microwave power, and type of sample for two levels of each. A first order regression equation best fits the experimental data. The predicted values calculated by the regression model were in good agreement with the experimental values. The results showed that the extraction time is the most prominent factor followed by microwave power level and sample type for extraction process. An average of 0.25% of ginger oil can be extracted using current setup. The optimum conditions for the ginger oil extraction using SFME were the extraction time 30 minutes, microwave power level 640 watts, and sample type, crushed sample. Solvent-free microwave extraction proves a green and promising technique for essential oil extraction.

  12. Hot Melt Extrusion as Solvent-Free Technique for a Continuous Manufacturing of Drug-Loaded Mesoporous Silica

    DEFF Research Database (Denmark)

    Genina, Natalja; Hadi, Batol; Löbmann, Korbinian

    2018-01-01

    The aim of this study is to explore hot melt extrusion (HME) as a solvent-free drug loading technique for preparation of stable amorphous solid dispersions using mesoporous silica (PSi). Ibuprofen and carvedilol were used as poorly soluble active pharmaceutical ingredients (APIs). Due to the high...... friction of an API:PSi mixture below the loading limit of the API, it was necessary to add the polymer Soluplus(®) (SOL) in order to enable the extrusion process. As a result, the APIs were distributed between the PSi and SOL phase after HME. Due to its higher affinity to PSi, ibuprofen was mainly adsorbed...... into the PSi, whereas carvedilol was mainly found in the SOL phase. Intrinsic dissolution rate was highest for HME formulations, containing PSi, compared to pure crystalline (amorphous) APIs and HME formulations without PSi. HME is a feasible solvent-free drug loading technique for preparation of PSi...

  13. Solvent-free oxidation of secondary alcohols to carbonyl compounds by 1, 3-Dibromo-5, 5-Dimethylhydantoin (DBDMH) and 1, 3-Dichloro-5, 5-Dimethylhydantoin (DCDMH)

    Energy Technology Data Exchange (ETDEWEB)

    Khazaei, Ardeshir; Abbasi, Fatemeh, E-mail: Khazaei_1326@yahoo.com, E-mail: fatemehabbasi807@gmail.com [Faculty of Chemistry, Department of Organic Chemistry, Bu-Ali Sina University, Hamedan (Iran, Islamic Republic of); Kianiborazjani, Maryam [Faculty of Science, Department of Chemistry, Bushehr Payame Noor University (PNU), Bushehr (Iran, Islamic Republic of); Saednia, Shahnaz [Young Researchers Club, Toyserkan Branch, Islamic Azad University, Toyserkan (Iran, Islamic Republic of)

    2014-02-15

    Aldehydes and ketones are important intermediates, especially for the construction of carbon-skeletons. The oxidation of alcohols is so important that a large number of methods and reagents have been reported for this purpose. N-halo reagents are widely used in organic synthesis and as a continuation of our interest in the application of N-halo compounds in organic synthesis, dibromo dimethylhydantoin (DBDMH) and dichloro dimethylhydantoin (DCDMH) were used for the oxidation of alcohols and our ongoing work on development of highly efficient oxidation protocols. We observed the oxidation of secondary alcohols with stoichiometric amounts of DBDMH and DCDMH under solvent-free conditions in the range of temperature 70-80 deg C. (author)

  14. Chemical composition and antibacterial activity of Origanum saccatum P.H. Davis essential oil obtained by solvent-free microwave extraction: comparison with hydrodistillation.

    Science.gov (United States)

    Sozmen, Fazli; Uysal, Burcu; Oksal, Birsen S; Kose, Elif Odabas; Deniz, I Gokhan

    2011-01-01

    The components of the essential oils (EOs) obtained by solvent-free microwave extraction (SFME) and hydrodistillation (HD) from endemic Origanum saccatum P.H. Davis were identified by using GC/MS. The main constituents of both EOs obtained by SFME and HD, respectively, from O. saccatum were p-cymene (72.5 and 70.6%), thymol (9.32 and 8.11%), and carvacrol (7.18 and 6.36%). The EO obtained by SFME contained substantially higher amounts of oxygenated compounds and lower amounts of monoterpenes than did the EO obtained by HD. The antibacterial activities of the EOs obtained by SFME and HD were evaluated with the disc diffusion method by comparison with 10 different bacterial strains. The antibacterial activity of the EO extracted by SFME was found to be more effective than that of the EO extracted by HD against seven of the tested bacteria.

  15. Synthetic methods in phase equilibria: A new apparatus and error analysis of the method

    DEFF Research Database (Denmark)

    Fonseca, José; von Solms, Nicolas

    2014-01-01

    of the equipment was confirmed through several tests, including measurements along the three phase co-existence line for the system ethane + methanol, the study of the solubility of methane in water, and of carbon dioxide in water. An analysis regarding the application of the synthetic isothermal method...

  16. Glutarimides: Biological activity, general synthetic methods and physicochemical properties

    Directory of Open Access Journals (Sweden)

    Popović-Đorđević Jelena B.

    2015-01-01

    Full Text Available Glutarimides, 2,6-dioxopiperidines are compounds that rarely occur in natural sources, but so far isolated ones exert widespread pharmacological activities, which makes them valuable as potential pharmacotherapeutics. Glutarimides act as androgen receptor antagonists, anti-inflammatory, anxiolytics, antibacterials, and tumor suppressing agents. Some synthetic glutarimide derivatives are already in use as immunosuppressive and sedative (e.g., thalidomide or anxiolytics (buspirone drugs. The wide applicability of this class of compounds, justify the interest of scientists to explore new pathways for its syntheses. General methods for synthesis of six-membered imide ring, are presented in this paper. These methods include: a reaction of dicarboxylic acids with ammonia or primary amine, b reactions of cyclization: amido-acids, diamides, dinitriles, nitrilo-acids, amido-nitriles, amido-esters, amidoacyl-chlorides or diacyl-chlorides, c adition of carbon-monoxide on a,b-unsaturated amides, d oxidation reactions, e Michael adition of active methylen compounds on methacrylamide or conjugated amides. Some of the described methods are used for closing glutarimide ring in syntheses of farmacological active compounds sesbanimide and aldose reductase inhibitors (ARI. Analyses of the geometry, as well as, the spectroscopic analyses (NMR and FT-IR of some glutarimides are presented because of their broad spectrum of pharmacological activity. To elucidate structures of glutarimides, geometrical parameters of newly synthesized tert-pentyl-1-benzyl-4-methyl-glutarimide-3-carboxylate (PBMG are analyzed and compared with the experimental data from X-ray analysis for glutarimide. Moreover, molecular electrostatic potential (MEP surface which is plotted over the optimized geometry to elucidate the reactivity of PBMG molecule is analyzed. The electronic properties of glutarimide derivatives are explained on the example of thalidomide. The Frontier Molecular Orbital

  17. Solvent-free synthesis of C10 and C11 branched alkanes from furfural and methyl isobutyl ketone.

    Science.gov (United States)

    Yang, Jinfan; Li, Ning; Li, Guangyi; Wang, Wentao; Wang, Aiqin; Wang, Xiaodong; Cong, Yu; Zhang, Tao

    2013-07-01

    Our best results jet: C10 and C11 branched alkanes, with low freezing points, are synthesized through the aldol condensation of furfural and methyl isobutyl ketone from lignocellulose, which is then followed by hydrodeoxygenation. These jet-fuel-range alkanes are obtained in high overall yields (≈90%) under solvent-free conditions. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. NaHSO4-SiO2-Promoted Solvent-Free Synthesis of Benzoxazoles, Benzimidazoles, and Benzothiazole Derivatives

    Directory of Open Access Journals (Sweden)

    K. Ravi Kumar

    2013-01-01

    Full Text Available An efficient protocol has been developed for the preparation of a library of benzoxazole, benzimidazole, and benzothiazole derivatives from reactions of acyl chlorides with o-substituted aminoaromatics in the presence of catalytic amount of silica-supported sodium hydrogen sulphate under solvent-free conditions. Simple workup procedure, high yield, easy availability, reusability, and use of ecofriendly catalyst are some of the striking features of the present protocol.

  19. Generation method of synthetic training data for mobile OCR system

    Science.gov (United States)

    Chernyshova, Yulia S.; Gayer, Alexander V.; Sheshkus, Alexander V.

    2018-04-01

    This paper addresses one of the fundamental problems of machine learning - training data acquiring. Obtaining enough natural training data is rather difficult and expensive. In last years usage of synthetic images has become more beneficial as it allows to save human time and also to provide a huge number of images which otherwise would be difficult to obtain. However, for successful learning on artificial dataset one should try to reduce the gap between natural and synthetic data distributions. In this paper we describe an algorithm which allows to create artificial training datasets for OCR systems using russian passport as a case study.

  20. Digestive ripening: a synthetic method par excellence for core–shell ...

    Indian Academy of Sciences (India)

    persity of nanoparticles. An even more remarkable feature of digestive ripening exemplified here is, it could be exercised as a synthetic method towards vari- ous heterostructured materials like core–shell particles, nanoalloys, and nanocomposites in combination with the synthetic method, solvated metal atom dispersion.

  1. Synthetic Environments as visualization method for product design

    NARCIS (Netherlands)

    Meijer, F.; van den Broek, Egon; Schouten, Theo E.; Damgrave, Roy Gerhardus Johannes; Damgrave, Roy G.J.; de Ridder, Huib; Rogowitz, Bernice E.; Pappas, Thrasyvoulos N.

    2010-01-01

    In this paper, we explored the use of low fidelity Synthetic Environments (SE; i.e., a combination of simulation techniques) for product design. We explored the usefulness of low fidelity SE to make design problems explicit. In particular, we were interested in the influence of interactivity on user

  2. Fringe counting method for synthetic phase with frequency-modulated laser diodes

    International Nuclear Information System (INIS)

    Onodera, Ribun; Sakuyama, Munechika; Ishii, Yukihiro

    2007-01-01

    Fringe counting method with laser diodes (LDs) for displacement measurement has been constructed. Two LDs are frequency modulated by mutually inverted sawtooth currents on an unbalanced two-beam interferometer. The mutually inverted sawtooth-current modulation of LDs produces interference fringe signals with opposite signs for respective wavelengths. The two fringe signals are fed to an electronic mixer to produce a synthetic fringe signal with a reduced sensitivity to the synthetic wavelength. Synthetic fringe pulses derived from the synthetic fringe signal make a fringe counting system possible for faster movement of the tested mirror

  3. Solvent-free one-pot 1,3-dipolar cycloaddition reactions of ...

    Indian Academy of Sciences (India)

    The synthetic utility of microwave irradiation in organic ..... ized by using frontier molecular orbital theory and 1H ... Expected broad signals for N–H proton around δ 3.40 and alco- holic OH groups around δ 5.20 ppm are also obtained.

  4. A systematic design method for robust synthetic biology to satisfy design specifications.

    Science.gov (United States)

    Chen, Bor-Sen; Wu, Chih-Hung

    2009-06-30

    Synthetic biology is foreseen to have important applications in biotechnology and medicine, and is expected to contribute significantly to a better understanding of the functioning of complex biological systems. However, the development of synthetic gene networks is still difficult and most newly created gene networks are non-functioning due to intrinsic parameter uncertainties, external disturbances and functional variations of intra- and extra-cellular environments. The design method for a robust synthetic gene network that works properly in a host cell under these intrinsic parameter uncertainties and external disturbances is the most important topic in synthetic biology. In this study, we propose a stochastic model that includes parameter fluctuations and external disturbances to mimic the dynamic behaviors of a synthetic gene network in the host cell. Then, based on this stochastic model, four design specifications are introduced to guarantee that a synthetic gene network can achieve its desired steady state behavior in spite of parameter fluctuations, external disturbances and functional variations in the host cell. We propose a systematic method to select a set of appropriate design parameters for a synthetic gene network that will satisfy these design specifications so that the intrinsic parameter fluctuations can be tolerated, the external disturbances can be efficiently filtered, and most importantly, the desired steady states can be achieved. Thus the synthetic gene network can work properly in a host cell under intrinsic parameter uncertainties, external disturbances and functional variations. Finally, a design procedure for the robust synthetic gene network is developed and a design example is given in silico to confirm the performance of the proposed method. Based on four design specifications, a systematic design procedure is developed for designers to engineer a robust synthetic biology network that can achieve its desired steady state behavior

  5. YCl3-Catalyzed Highly Selective Ring Opening of Epoxides by Amines at Room Temperature and under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Wuttichai Natongchai

    2017-11-01

    Full Text Available A simple, efficient, and environmentally benign approach for the synthesis of β-amino alcohols is herein described. YCl3 efficiently carried out the ring opening of epoxides by amines to produce β-amino alcohols under solvent-free conditions at room temperature. This catalytic approach is very effective, with several aromatic and aliphatic oxiranes and amines. A mere 1 mol % concentration of YCl3 is enough to deliver β-amino alcohols in good to excellent yields with high regioselectivity.

  6. Chemoselective Synthesis of Dithioacetals from Bio-aldehydes with Zeolites under Ambient and Solvent-free Conditions

    DEFF Research Database (Denmark)

    Li, Hu; Yang, Tingting; Riisager, Anders

    2017-01-01

    of commercial and modified zeolites are excellent catalysts for thioacetalization of different thiols with carbonyl compounds, including biomass-derived aldehydes, at room temperature under solvent-free conditions. A near quantitative yield of dithioacetal was obtained over H-beta(19) at room temperature......Dithioacetals are an important class of versatile compounds extensively applied in pharmaceuticals, separations, electrochemistry, and organic synthesis, but few heterogeneous catalytic systems are reported to be generally applicable for their synthesis from a wide range of substrates. A series...

  7. Rapid, efficient and solvent free microwave mediated synthesis of aldo- and ketonitrones

    Directory of Open Access Journals (Sweden)

    Loredana Maiuolo

    2016-01-01

    Full Text Available A library of C-alkyl and C-aryl nitrones has been obtained by direct condensation of primary N-substituted hydroxylamine hydrochlorides with various aldehydes and ketones without catalysts or base. The synthetic procedure, performed under MW irradiation in the absence of solvent, does not require the presence of a base, is fast, clean, high-yielding and characterized by simple work-up.

  8. Libraries of Synthetic TALE-Activated Promoters: Methods and Applications.

    Science.gov (United States)

    Schreiber, T; Tissier, A

    2016-01-01

    The discovery of proteins with programmable DNA-binding specificities triggered a whole array of applications in synthetic biology, including genome editing, regulation of transcription, and epigenetic modifications. Among those, transcription activator-like effectors (TALEs) due to their natural function as transcription regulators, are especially well-suited for the development of orthogonal systems for the control of gene expression. We describe here the construction and testing of libraries of synthetic TALE-activated promoters which are under the control of a single TALE with a given DNA-binding specificity. These libraries consist of a fixed DNA-binding element for the TALE, a TATA box, and variable sequences of 19 bases upstream and 43 bases downstream of the DNA-binding element. These libraries were cloned using a Golden Gate cloning strategy making them usable as standard parts in a modular cloning system. The broad range of promoter activities detected and the versatility of these promoter libraries make them valuable tools for applications in the fine-tuning of expression in metabolic engineering projects or in the design and implementation of regulatory circuits. © 2016 Elsevier Inc. All rights reserved.

  9. Equipment and methods for synthetic aperture anatomic and flow imaging

    DEFF Research Database (Denmark)

    Jensen, Jørgen Arendt; Nikolov, Svetoslav; Misaridis, Thanassis

    2002-01-01

    Conventional ultrasound imaging is done by sequentially probing in each image direction. The frame rate is, thus, limited by the speed of sound and the number of lines necessary to form an image. This is especially limiting in flow imaging, since multiple lines are used for flow estimation. Another...... problem is that each receiving transducer element must be connected to a receiver, which makes the expansion of the number of receive channels expensive. Synthetic aperture (SA) imaging is a radical change from the sequential image formation. Here ultrasound is emitted in all directions and the image...... is formed in all directions simultaneously over a number of acquisitions. SA images can therefore be perfectly focused in both transmit and receive for all depths, thus significantly improving image quality. A further advantage is that very fast imaging can be done, since only a few emissions are needed...

  10. A Method to Design Synthetic Cell-Cycle Networks

    International Nuclear Information System (INIS)

    Ke-Ke, Miao

    2009-01-01

    The interactions among proteins, DNA and RNA in an organism form elaborate cell-cycle networks which govern cell growth and proliferation. Understanding the common structure of cell-cycle networks will be of great benefit to science research. Here, inspired by the importance of the cell-cycle regulatory network of yeast which has been studied intensively, we focus on small networks with 11 nodes, equivalent to that of the cell-cycle regulatory network used by Li et al. [Proc. Natl. Acad. Sci. USA 101(2004)4781] Using a Boolean model, we study the correlation between structure and function, and a possible common structure. It is found that cascade-like networks with a great number of interactions between nodes are stable. Based on these findings, we are able to construct synthetic networks that have the same functions as the cell-cycle regulatory network. (condensed matter: structure, mechanical and thermal properties)

  11. Synthetic antigens, radiolabelled derivatives thereof, and methods of analysis using such derivatives

    International Nuclear Information System (INIS)

    Eisenhardt, W.A. Jr.; Hedaya, E.; Theodoropulos, S.

    1981-01-01

    This patent claim on behalf of Union Carbide Corporation, relates to a method of carrying out a competitive binding radioassay of a compound of interest in a clinical sample, using isocyanates labelled with radioiodine as synthetic antigens. (U.K.)

  12. Using solvent-free sample preparation to promote protonation of poly(ethylene oxide)s with labile end-groups in matrix-assisted laser desorption/ionisation.

    Science.gov (United States)

    Mazarin, Michael; Phan, Trang N T; Charles, Laurence

    2008-12-01

    Protonation is usually required to observe intact ions during matrix-assisted laser desorption/ionization (MALDI) of polymers containing fragile end-groups while cation adduction induces chain-end degradation. These polymers, generally obtained via living free radical polymerization techniques, are terminated with a functionality in which a bond is prone to homolytic cleavage, as required by the polymerization process. A solvent-free sample preparation method was used here to avoid salt contaminant from the solvent traditionally used in the dried-droplet MALDI procedure. Solvent-based and solvent-free sample preparations were compared for a series of three poly(ethylene oxide) polymers functionalized with a labile end-group in a nitroxide-mediated polymerization reaction, using 2,4,6-trihydroxyacetophenone (THAP) as the matrix without any added salt. Intact oligomer ions could only be produced as protonated molecules in solvent-free MALDI while sodium adducts of degraded polymers were formed from the dried-droplet samples. Although MALDI analysis was performed at the laser threshold, fragmentation of protonated macromolecules was still observed to occur. However, in contrast to sodiated molecules, dissociation of protonated oligomers does not involve the labile C--ON bond of the end-group. As the macromolecule size increased, protonation appeared to be less efficient and sodium adduction became the dominant ionization process, although no sodium salt was added in the preparation. Formation of sodiated degraded macromolecules would be dictated by increasing cation affinity as the size of the oligomers increases and would reveal the presence of salts at trace levels in the MALDI samples.

  13. Comparative Study of Essential Oils Extracted from Egyptian Basil Leaves (Ocimum basilicum L.) Using Hydro-Distillation and Solvent-Free Microwave Extraction.

    Science.gov (United States)

    Chenni, Mohammed; El Abed, Douniazad; Rakotomanomana, Njara; Fernandez, Xavier; Chemat, Farid

    2016-01-19

    Solvent-free microwave extraction (SFME) and conventional hydro-distillation (HD) were used for the extraction of essential oils (EOs) from Egyptian sweet basil (Ocimum basilicum L.) leaves. The two resulting EOs were compared with regards to their chemical composition, antioxidant, and antimicrobial activities. The EO analyzed by GC and GC-MS, presented 65 compounds constituting 99.3% and 99.0% of the total oils obtained by SFME and HD, respectively. The main components of both oils were linalool (43.5% SFME; 48.4% HD), followed by methyl chavicol (13.3% SFME; 14.3% HD) and 1,8-cineole (6.8% SFME; 7.3% HD). Their antioxidant activity were studied with the 2,2-diphenyl-1-picrylhydrazyl (DPPH(•)) radical scavenging method. The heating conditions effect was evaluated by the determination of the Total Polar Materials (TPM) content. The antimicrobial activity was investigated against five microorganisms: two Gram-positive bacteria, Staphylococcus aureus and Bacillus subtilis, two Gram-negative bacteria, Escherichia coli and Pseudomonas aeruginosa, and one yeast, Candida albicans. Both EOs showed high antimicrobial, but weak antioxidant, activities. The results indicated that the SFME method may be a better alternative for the extraction of EO from O. basilicum since it could be considered as providing a richer source of natural antioxidants, as well as strong antimicrobial agents for food preservation.

  14. Molecular imaging of banknote and questioned document using solvent-free gold nanoparticle-assisted laser desorption/ionization imaging mass spectrometry.

    Science.gov (United States)

    Tang, Ho-Wai; Wong, Melody Yee-Man; Chan, Sharon Lai-Fung; Che, Chi-Ming; Ng, Kwan-Ming

    2011-01-01

    Direct chemical analysis and molecular imaging of questioned documents in a non/minimal-destructive manner is important in forensic science. Here, we demonstrate that solvent-free gold-nanoparticle-assisted laser desorption/ionization mass spectrometry is a sensitive and minimal destructive method for direct detection and imaging of ink and visible and/or fluorescent dyes printed on banknotes or written on questioned documents. Argon ion sputtering of a gold foil allows homogeneous coating of a thin layer of gold nanoparticles on banknotes and checks in a dry state without delocalizing spatial distributions of the analytes. Upon N(2) laser irradiation of the gold nanoparticle-coated banknotes or checks, abundant ions are desorbed and detected. Recording the spatial distributions of the ions can reveal the molecular images of visible and fluorescent ink printed on banknotes and determine the printing order of different ink which may be useful in differentiating real banknotes from fakes. The method can also be applied to identify forged parts in questioned documents, such as number/writing alteration on a check, by tracing different writing patterns that come from different pens.

  15. Solvent free hydroxylation of the methyl esters of Blighia unijugata seed oil in the presence of cetyltrimethylammonium permanganate

    Directory of Open Access Journals (Sweden)

    Adewuyi Adewale

    2011-12-01

    Full Text Available Abstract Extraction of oil from the seed of Blighia unijugata gave a yield of 50.82 ± 1.20% using hexane in a soxhlet extractor. The iodine and saponification values were 67.60 ± 0.80 g iodine/100 g and 239.20 ± 1.00 mg KOH/g respectively with C18:1 being the dominant fatty acid. Unsaturated methyl esters of Blighia unijugata which had been previously subjected to urea adduct complexation was used to synthesize methyl 9, 10-dihydroxyoctadecanoate via hydroxylation in the presence of cetyltrimethylammonium permanganate (CTAP. The reaction was monitored and confirmed using FTIR and GC-MS. This study has revealed that oxidation reaction of mono unsaturated bonds using CTAP could be achieved under solvent free condition.

  16. Solvent-free enzymatic synthesis of feruloylated structured lipids by the transesterification of ethyl ferulate with castor oil.

    Science.gov (United States)

    Sun, Shangde; Zhu, Sha; Bi, Yanlan

    2014-09-01

    A novel enzymatic route of feruloylated structured lipids synthesis by the transesterification of ethyl ferulate (EF) with castor oil, in solvent-free system, was investigated. The transesterification reactions were catalysed by Novozym 435, Lipozyme RMIM, and Lipozyme TLIM, among which Novozym 435 showed the best catalysis performance. Effects of feruloyl donors, reaction variables, and ethanol removal on the transesterification were also studied. High EF conversion (∼100%) was obtained under the following conditions: enzyme load 20% (w/w, relative to the weight of substrates), reaction temperature 90 °C, substrate molar ratio 1:1 (EF/castor oil), 72 h, vacuum pressure 10 mmHg, and 200 rpm. Under these conditions, the transesterification product consisted of 62.6% lipophilic feruloylated structured lipids and 37.3% hydrophilic feruloylated lipids. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Solvent-free functionalization of fullerene C{sub 60} and pristine multi-walled carbon nanotubes with aromatic amines

    Energy Technology Data Exchange (ETDEWEB)

    Ramírez-Calera, Itzel J. [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico); Meza-Laguna, Victor [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Gromovoy, Taras Yu. [O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of the Ukraine, Gen. Naumova 17, 03164 Kiev (Ukraine); Chávez-Uribe, Ma. Isabel [Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Vladimir A., E-mail: basiuk@nucleares.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510 México, D.F. (Mexico); Basiuk, Elena V., E-mail: elbg1111@gmail.com [Centro de Ciencias Aplicadas y Desarrollo Tecnológico, Universidad Nacional Autónoma de México, Circuito Exterior C. U., 04510, México, D.F. (Mexico)

    2015-02-15

    Highlights: • Pristine multi-walled carbon nanotubes were functionalized with aromatic amines. • The amines add onto nanotube defects, likewise they add onto fullerene C{sub 60}. • The addition takes place at elevated temperature and without organic solvents. • Functionalized nanotubes were characterized by a number of instrumental techniques. - Abstract: We employed a direct one-step solvent-free covalent functionalization of solid fullerene C{sub 60} and pristine multi-walled carbon nanotubes (MWCNTs) with aromatic amines 1-aminopyrene (AP), 2-aminofluorene (AF) and 1,5-diaminonaphthalene (DAN). The reactions were carried out under moderate vacuum, in a wide temperature range of 180–250 °C, during relatively short time of about 2 h. To confirm successful amine attachment, a large number of analytical techniques were used (depending on the nanomaterial functionalized) such as Fourier transform infrared, Raman, X-ray photoelectron, {sup 13}C cross-polarization magic angle spinning NMR spectroscopy, thermogravimetric analysis, laser-desorption ionization time-of-flight mass spectrometry, temperature-programmed desorption with mass spectrometric detection, as well as scanning and transmission electron microscopy. The nucleophilic addition of the aromatic amines to C{sub 60} molecule was studied theoretically by using density functional theory (PBE GGA functional with Grimme dispersion correction in conjunction with the DNP basis set). In the case of crystalline C{sub 60}, the solvent-free technique has a limited applicability due to poor diffusion of vaporous aromatic amines into the bulk. Nevertheless, the approach proposed allows for a facile preparation of aromatic amine-functionalized pristine MWCNTs without contamination with other chemical reagents, detergents and solvents, which is especially important for a vast variety of nanotube applications spanning from nanoelectronics to nanomedicine.

  18. ZnAl2O4@SiO2 nanocomposite catalyst for the acetylation of alcohols, phenols and amines with acetic anhydride under solvent-free conditions

    Institute of Scientific and Technical Information of China (English)

    Saeed Farhadi; Kosar Jahanara

    2014-01-01

    A ZnAl2O4@SiO2 nanocomposite was prepared from metal nitrates and tetraethyl orthosilicate by the sol-gel process, and characterized by X-ray diffraction, Fourier transform infrared, transmission electron microscopy, and N2 adsorption-desorption measurements. The nanocomposite was tested as a heterogeneous catalyst for the acetylation of alcohols, phenols, and amines under solvent-free conditions. Under optimized conditions, efficient acetylation of these substrates with acetic anhy-dride over the ZnAl2O4@SiO2 nanocomposite was obtained. Acetylation of anilines and primary aliphatic amines proceeded rapidly at room temperature, while the reaction time was longer for the acetylation of alcohols and phenols, showing that an amine NH2 group can be selectively acetylated in the presence of alcoholic or phenolic OH groups. The catalyst can be reused without obvious loss of catalytic activity. The catalytic activity of the ZnAl2O4@SiO2 nanocomposite was higher than that of pure ZnAl2O4. The method gives high yields, and is clean, cost effective, compatible with sub-strates having other functional groups and it is suitable for practical organic synthesis.

  19. First-Row-Transition Ion Metals(II-EDTA Functionalized Magnetic Nanoparticles as Catalysts for Solvent-Free Microwave-Induced Oxidation of Alcohols

    Directory of Open Access Journals (Sweden)

    Nuno M. R. Martins

    2017-11-01

    Full Text Available A series of first-row transition-metals combined with ethylenediamine tetraacetic acid (EDTA, as metal-based N,O-chelating ligands, at the surface of ferrite magnetic nanoparticles (MNPs was prepared by a co-precipitation method. Those EDTA functionalized MNPs with general formula Fe3O4@EDTA-M2+ [M = Mn2+ (1, Fe2+ (2, Co2+ (3, Ni2+ (4, Cu2+ (5 or Zn2+ (6] were characterized by FTIR (Fourier Transform Infrared spectroscopy, powder XRD (X-ray Diffraction, SEM (Scanning Electron Microscope, EDS (Energy Dispersive Spectrometer, VSM (Vibrating Sample Magnetometer and TGA (Thermal Gravity Analysis. The application of the magnetic NPs towards the microwave-assisted oxidation of several alcohol substrates in a solvent-free medium was evaluated. The influence of reaction parameters such as temperature, time, type of oxidant, and presence of organic radicals was investigated. This study demonstrates that these MNPs can act as efficient catalysts for the conversion of alcohols to the corresponding ketones or aldehydes with high selectivity and yields up to 99% after 2 h of reaction at 110 °C using t-BuOOH as oxidant. Moreover, they have the advantage of being magnetically recoverable catalysts that can be easily recycled in following runs.

  20. Synthetic polymers and methods of making and using the same

    Science.gov (United States)

    Daily, Michael D.; Grate, Jay W.; Mo, Kai-For

    2016-06-14

    Monomer embodiments that can be used to make polymers, such as homopolymers, heteropolymers, and that can be used in particular embodiments to make sequence-defined polymers are described. Also described are methods of making polymers using such monomer embodiments. Methods of using the polymers also are described.

  1. Synthesis of quinoxaline 1,4-di-n-oxide derivatives on solid support using room temperature and microwave-assisted solvent-free procedures

    International Nuclear Information System (INIS)

    Gomez-Caro, Lilia C.; Sanchez-Sanchez, Mario; Bocanegra-Garcia, Virgilio; Rivera, Gildardo; Monge, Antonio

    2011-01-01

    We describe the synthesis of 12 new ethyl and methyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives on solid supports with room temperature and microwave-assisted solvent-free procedures. Results show that solid supports have good catalytic activity in the formation of quinoxaline 1,4-di-N-oxide derivatives. We found that florisil and montmorillonite KSF and K10 could be used as new, easily available, inexpensive alternatives of catalysts. Additionally, room temperature and microwave-irradiation solvent-free synthesis was more efficient than a conventional procedure (Beirut reaction), reducing reaction time and increasing yield. (author)

  2. Synthesis of quinoxaline 1,4-di-n-oxide derivatives on solid support using room temperature and microwave-assisted solvent-free procedures

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Caro, Lilia C.; Sanchez-Sanchez, Mario; Bocanegra-Garcia, Virgilio; Rivera, Gildardo [Universidad Autonoma de Tamaulipas, Reynosa (Mexico). Dept. de Farmacia y Quimica Medicinal; Monge, Antonio [Universidad de Navarra, Pamplona (Spain). Centro de Investigacion en Farmacobiologia Aplicada. Unidad de Investigacion y Desarrollo de Medicamentos

    2011-07-01

    We describe the synthesis of 12 new ethyl and methyl quinoxaline-7-carboxylate 1,4-di-N-oxide derivatives on solid supports with room temperature and microwave-assisted solvent-free procedures. Results show that solid supports have good catalytic activity in the formation of quinoxaline 1,4-di-N-oxide derivatives. We found that florisil and montmorillonite KSF and K10 could be used as new, easily available, inexpensive alternatives of catalysts. Additionally, room temperature and microwave-irradiation solvent-free synthesis was more efficient than a conventional procedure (Beirut reaction), reducing reaction time and increasing yield. (author)

  3. Development of a method for environmentally friendly chemical peptide synthesis in water using water-dispersible amino acid nanoparticles

    Directory of Open Access Journals (Sweden)

    Fukumori Yoshinobu

    2011-08-01

    Full Text Available Abstract Due to the vast importance of peptides in biological processes, there is an escalating need for synthetic peptides to be used in a wide variety of applications. However, the consumption of organic solvent is extremely large in chemical peptide syntheses because of the multiple condensation steps in organic solvents. That is, the current synthesis method is not environmentally friendly. From the viewpoint of green sustainable chemistry, we focused on developing an organic solvent-free synthetic method using water, an environmentally friendly solvent. Here we described in-water synthesis technology using water-dispersible protected amino acids.

  4. A Validated Method for the Detection and Quantitation of Synthetic ...

    African Journals Online (AJOL)

    NICOLAAS

    A LC-HRMS (liquid chromatography coupled with high resolution mass spectrometry) method for the ... its ease of availability, from head shops (shops selling predomi- ..... cannabinoids in whole blood in plastic containers with several common ...

  5. Integrating computational methods to retrofit enzymes to synthetic pathways.

    Science.gov (United States)

    Brunk, Elizabeth; Neri, Marilisa; Tavernelli, Ivano; Hatzimanikatis, Vassily; Rothlisberger, Ursula

    2012-02-01

    Microbial production of desired compounds provides an efficient framework for the development of renewable energy resources. To be competitive to traditional chemistry, one requirement is to utilize the full capacity of the microorganism to produce target compounds with high yields and turnover rates. We use integrated computational methods to generate and quantify the performance of novel biosynthetic routes that contain highly optimized catalysts. Engineering a novel reaction pathway entails addressing feasibility on multiple levels, which involves handling the complexity of large-scale biochemical networks while respecting the critical chemical phenomena at the atomistic scale. To pursue this multi-layer challenge, our strategy merges knowledge-based metabolic engineering methods with computational chemistry methods. By bridging multiple disciplines, we provide an integral computational framework that could accelerate the discovery and implementation of novel biosynthetic production routes. Using this approach, we have identified and optimized a novel biosynthetic route for the production of 3HP from pyruvate. Copyright © 2011 Wiley Periodicals, Inc.

  6. A Synthetic Approach to the Transfer Matrix Method in Classical and Quantum Physics

    Science.gov (United States)

    Pujol, O.; Perez, J. P.

    2007-01-01

    The aim of this paper is to propose a synthetic approach to the transfer matrix method in classical and quantum physics. This method is an efficient tool to deal with complicated physical systems of practical importance in geometrical light or charged particle optics, classical electronics, mechanics, electromagnetics and quantum physics. Teaching…

  7. Solvent-Free Synthesis of Quaternary Metal Sulfide Nanoparticles Derived from Thiourea

    KAUST Repository

    Bhunia, Manas Kumar; Abou-Hamad, Edy; Anjum, Dalaver H.; Gurinov, Andrei; Takanabe, Kazuhiro

    2017-01-01

    The synthesis of metal sulfide (MS) materials with sizes in the sub-10 nm regime often requires capping agents with long hydrocarbon chains that affect their structures and properties. Herein, this study presents a molten-state synthesis method

  8. Solvent-free functionalization of silicone rubber and efficacy of PAAm brushes grafted from an amino-PPX layer against bacterial adhesion

    NARCIS (Netherlands)

    Fundeanu, Irina; Klee, Doris; Schouten, Arend J.; Busscher, Henk J.; van der Mei, Henny C.

    Silicone rubber is a frequently employed biomaterial that is prone to bacterial adhesion and biofilm formation. In this study, the surface of silicone rubber was solvent-free functionalized by chemical vapor deposition (CVD) of poly(o-amino-p-xylylene-co-p-xylylene (amino-PPX). Subsequently, the

  9. A Facile Solvent Free Microwave Induced Synthesis and Antibacterial Activity of Some 3-(2’-Hydroxyphenyl-5-(Substituted Aryl-2-Pyrazoline-N1-Caboxaldehydes

    Directory of Open Access Journals (Sweden)

    Birbal Bajia

    2007-01-01

    Full Text Available A novel one pot formylation of 3-(2’-hydroxyphenyl-5-(substituted 2-pyrazolines has been carried out using microwave irradiation with formic acid. solvent free reaction afforded title compounds in 80-90% yield with high purity.synthesized compounds were tested for their antibacterial activity using standard drug.

  10. Solvent-free Hydrodeoxygenation of Bio-oil Model Compounds Cyclopentanone and Acetophenone over Flame-made Bimetallic Pt-Pd/ZrO2 Catalysts

    Science.gov (United States)

    Jiang, Yijiao; Büchel, Robert; Huang, Jun; Krumeich, Frank; Pratsinis, Sotiris E.; Baiker, Alfons

    2013-01-01

    Bimetallic Pt-Pd/ZrO2 catalysts with different Pt/Pd atomic ratio and homogeneous dispersion of the metal nanoparticles were prepared in a single step by flame-spray pyrolysis. The catalysts show high activity and tuneable product selectivity for the solvent-free hydrodeoxygenation of the bio-oil model compounds cyclopentanone and acetophenone. PMID:22674738

  11. Using Pd-salen complex as an efficient catalyst for the copper- and solvent-free coupling of acyl chlorides with terminal alkynes under aerobic conditions

    Institute of Scientific and Technical Information of China (English)

    Mohammad

    2010-01-01

    The palladium-salen complex palladium(Ⅱ) N,N'-bis{[5-(triphenylphosphonium)-methyl]salicylidene}-l,2-ethanediamine chloride was found to be a highly active catalyst for the copper- and solvent-free coupling reaction of terminal alkynes with different acyl chlorides in the presence of triethylamine as base, giving excellent ynones under aerobic conditions.

  12. Microwave-Enhanced Sulphated Zirconia and SZ/MCM-41 Catalyzed Regioselective Synthesis of β-Amino Alcohols Under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Eduardo González-Zamora

    2008-04-01

    Full Text Available A solvent-free approach for the regioselective synthesis of β-amino alcohols inshorter reaction times and higher yields, compared to conventional heating is described. Itinvolves microwave (MW exposure of undiluted reactants in the presence of sulphatedzirconia (SZ or sulphated zirconia over MCM-41 (SZM as catalyst. Both acid materialscan be easily recovered and reused.

  13. Natrolite zeolite: A natural and reusable catalyst for one-pot synthesis of α-aminophosphonates under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Siavash Bahari

    2017-02-01

    Full Text Available α-Aminophosphonates are synthesized efficiently by one-pot reaction of aldehydes or ketones, amines, trialkyl phosphites in the presence of Natrolite zeolite as a natural catalyst under solvent-free conditions. Furthermore, the catalyst can be reused several times without any significant loss of catalytic activity.

  14. Solvent-free Oxidation of Alcohols and Mild Catalytic Deprotection of ...

    African Journals Online (AJOL)

    NJD

    and ketones. Although the yields of aldehyde and ketone were high using this method, disadvantages included the need to use dimethyl sulphide, a volatile organic .... 1d. DABCO, CH2Cl2,. 5 h. 97. 1h water. TBBDA. 10 min. 85. –. PBBS. 10 min. 80. TEMPO, CuCl, O2,. 15 h. 72. 1j. (bmim)(PF6), 65°C. (NO3)3CeBrO3, 90°C.

  15. Optimization of 2-ethylhexyl palmitate production using lipozyme RM IM as catalyst in a solvent-free system.

    Science.gov (United States)

    Richetti, Aline; Leite, Selma G F; Antunes, Octávio A C; de Souza, Andrea L F; Lerin, Lindomar A; Dallago, Rogério M; Paroul, Natalia; Di Luccio, Marco; Oliveira, J Vladimir; Treichel, Helen; de Oliveira, Débora

    2010-04-01

    This work reports the application of a lipase in the 2-ethylhexyl palmitate esterification in a solvent-free system with an immobilized lipase (Lipozyme RM IM). A sequential strategy was used applying two experimental designs to optimize the 2-ethylhexyl palmitate production. An empirical model was then built so as to assess the effects of process variables on the reaction conversion. Afterwards, the operating conditions that optimized 2-ethylhexyl palmitate production were established as being acid/alcohol molar ratio 1:3, temperature of 70 degrees C, stirring rate of 150 rpm, 10 wt.% of enzyme, leading to a reaction conversion as high as 95%. From this point, a kinetic study was carried out evaluating the effect of acid:alcohol molar ratio, the enzyme concentration and the temperature on product conversion. The results obtained in this step permit to verify that an excess of alcohol (acid to alcohol molar ratio of 1:6), relatively low enzyme concentration (10 wt.%) and temperature of 70 degrees C, led to conversions next to 100%.

  16. Development of solvent-free offset ink using vegetable oil esters and high molecular-weight resin.

    Science.gov (United States)

    Park, Jung Min; Kim, Young Han; Kim, Sung Bin

    2013-01-01

    In the development of solvent-free offset ink, the roles of resin molecular weight and used solvent on the ink performance were evaluated by examining the relationship between the various properties of resin and solvent and print quality. To find the best performing resin, the soy-oil fatty acid methyl ester (FAME) was applied to the five modified-phenolic resins having different molecular weights. It is found from the experimental results that the ink made of higher molecular weight and better solubility resin gives better printability and print quality. It is because larger molecular weight resin with better solubility gives higher rate of ink transfer. From the ink application of different esters to high molecular weight resin, the best printing performance was yielded from the soy-oil fatty acid butyl ester (FABE). It is due to its high kinematic viscosity resulting in the smallest change of ink transfer weight upon multiple number of printing, which improves the stability of ink quality.

  17. Improved interfacial adhesion in carbon fiber/polyether sulfone composites through an organic solvent-free polyamic acid sizing

    International Nuclear Information System (INIS)

    Yuan, Haojie; Zhang, Shouchun; Lu, Chunxiang; He, Shuqing; An, Feng

    2013-01-01

    An organic solvent-free polyamic acid (PAA) nanoemulsion was obtained by direct ionization of the solid PAA in deionized water, with the average particle size of 261 nm and Zeta potential of −55.1 mV, and used as a carbon fiber sizing to improve the interfacial adhesion between the carbon fiber and polyether sulfone (PES). The surface characteristics of PAA coated carbon fibers were investigated using Fourier transform infrared spectroscopy, scanning electron microscopy, atomic force microscopy and dynamic contact angle measurement. The results demonstrated that a continuous and uniform PAA sizing layer was formed on the surface of carbon fibers, and the surface energy of carbon fibers increased from 42.91 to 54.55 mN/m after sizing treatment. The single fiber pull-out testing was also performed, which showed the increased interfacial shear strength (IFSS) of carbon fiber/PES composites from 33.6 to 49.7 MPa by 47.9%. The major reasons for the improved interfacial adhesion were the increased van der Waals forces between the PES matrix and sizing layer as well as the chemical bonding between the sizing layer and carbon fiber surface. Furthermore, the PAA sizing also presented a positive effect on the interfacial adhesion of carbon fiber/PES composites under hydrothermal condition.

  18. Improved interfacial adhesion in carbon fiber/polyether sulfone composites through an organic solvent-free polyamic acid sizing

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Haojie [National Engineering Laboratory for carbon fiber technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Shouchun, E-mail: zschun@sxicc.ac.cn [National Engineering Laboratory for carbon fiber technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); Lu, Chunxiang, E-mail: chunxl@sxicc.ac.cn [National Engineering Laboratory for carbon fiber technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); He, Shuqing [National Engineering Laboratory for carbon fiber technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); An, Feng [National Engineering Laboratory for carbon fiber technology, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 (China)

    2013-08-15

    An organic solvent-free polyamic acid (PAA) nanoemulsion was obtained by direct ionization of the solid PAA in deionized water, with the average particle size of 261 nm and Zeta potential of −55.1 mV, and used as a carbon fiber sizing to improve the interfacial adhesion between the carbon fiber and polyether sulfone (PES). The surface characteristics of PAA coated carbon fibers were investigated using Fourier transform infrared spectroscopy, scanning electron microscopy, atomic force microscopy and dynamic contact angle measurement. The results demonstrated that a continuous and uniform PAA sizing layer was formed on the surface of carbon fibers, and the surface energy of carbon fibers increased from 42.91 to 54.55 mN/m after sizing treatment. The single fiber pull-out testing was also performed, which showed the increased interfacial shear strength (IFSS) of carbon fiber/PES composites from 33.6 to 49.7 MPa by 47.9%. The major reasons for the improved interfacial adhesion were the increased van der Waals forces between the PES matrix and sizing layer as well as the chemical bonding between the sizing layer and carbon fiber surface. Furthermore, the PAA sizing also presented a positive effect on the interfacial adhesion of carbon fiber/PES composites under hydrothermal condition.

  19. Conversion of glycerol to polyglycerol over waste duck-bones as a catalyst in solvent free etherification process

    Science.gov (United States)

    Ayoub, Muhammad; Sufian, Suriati; Mekuria Hailegiorgis, Sintayehu; Ullah, Sami; Uemura, Yoshimitsu

    2017-08-01

    The alkaline catalyst derived from the duck-bones was used for conversion of glycerol to polyglycerol via solvent free etherification process. The physicochemical properties of prepared materials were duck-bones were systematically investigated as a catalyst by latest techniques of Thermo gravimetric analysis (TGA), X-ray diffraction (XRD), and Brunauer-Emmett-Teller (BET) surface properties. TGA showed different trends of duck-bones decomposition from room temperature to 1000C. XRD pattern showed a clear and sharp peaks of a crystalline phase of CaO. The activity of the catalysts was in line with the basic amount of the strong base sites, surface area, and crystalline phase in the catalysts. The prepared catalyst derived from duck-bones provided high activity (99 %) for glycerol conversion and around 68 % yield for polyglycerol production. These ample wastes of duck-bones have good potential to be used as polyglycerol production catalysts due to have high quantity of Ca compare to other types of bones like cow, chicken and fish bones.

  20. Orthogonal protection of saccharide polyols through solvent-free one-pot sequences based on regioselective silylations

    Directory of Open Access Journals (Sweden)

    Serena Traboni

    2016-12-01

    Full Text Available tert-Butyldimethylsilyl (TBDMS and tert-butyldiphenylsilyl (TBDPS are alcohol protecting groups widely employed in organic synthesis in view of their compatibility with a wide range of conditions. Their regioselective installation on polyols generally requires lengthy reactions and the use of high boiling solvents. In the first part of this paper we demonstrate that regioselective silylation of sugar polyols can be conducted in short times with the requisite silyl chloride and a very limited excess of pyridine (2–3 equivalents. Under these conditions, that can be regarded as solvent-free conditions in view of the insolubility of the polyol substrates, the reactions are faster than in most examples reported in the literature, and can even be further accelerated with a catalytic amount of tetrabutylammonium bromide (TBAB. The strategy proved also useful for either the selective TBDMS protection of secondary alcohols or the fast per-O-trimethylsilylation of saccharide polyols. In the second part of the paper the scope of the silylation approach was significantly extended with the development of unprecedented “one-pot” and “solvent-free” sequences allowing the regioselective silylation/alkylation (or the reverse sequence of saccharide polyols in short times. The developed methodologies represent a very useful and experimentally simple tool for the straightforward access to saccharide building-blocks useful in organic synthesis.

  1. PLLA-PHB fiber membranes obtained by solvent-free electrospinning for short-time drug delivery.

    Science.gov (United States)

    Cao, K; Liu, Y; Olkhov, A A; Siracusa, V; Iordanskii, A L

    2018-02-01

    Fibers of poly(L-lactic acid) (PLLA)/polyhydroxybutyrate (PHB) with different concentrations of the drug dipyridamole (DPD) were prepared using solvent-free melt electrospinning to obtain a polymeric drug delivery system. The electrospun fibers were morphologically, structurally, thermally, and dynamically characterized. Crazes that resemble lotus root crevices were interestingly observed in the 7:3 PLLA/PHB fibers with 1% DPD. The crystallinity of PLLA slightly decreased as PHB was incorporated, and the addition of DPD significantly reduced the melting temperature of the composite. The interactions between PLLA and PHB mainly occurred at a proportion of 7:3, and drug encapsulation in the fibers was verified. The kinetic profiles of drug release demonstrated the predominant multiple patterns involving a diffusional stage in the short-term mode of release and kinetic process related to the hydrolysis of the biopolymers. Furthermore, the dynamic behavior of the polymer molecules was evaluated based on the segmental mobility using probe electron spin resonance spectroscopy. The segmental mobility in the amorphous fraction of PLLA decreased with increasing PLLA content. The 9:1 PLLA/PHB system was more resistant to polymer hydrolysis than to the 7:3 system and the rate of diffusion transport was approximately two times higher for the 7:3 PLLA/PHB fibers than for the 9:1 PLLA/PHB fibers.

  2. Vacuum-and-solvent-free fabrication of organic semiconductor layers for field-effect transistors

    Science.gov (United States)

    Matsushima, Toshinori; Sandanayaka, Atula S. D.; Esaki, Yu; Adachi, Chihaya

    2015-09-01

    We demonstrate that cold and hot isostatic pressing (CIP and HIP) is a novel, alternative method for organic semiconductor layer fabrication, where organic powder is compressed into a layer shape directly on a substrate with 200 MPa pressure. Spatial gaps between powder particles and the other particles, substrates, or electrodes are crushed after CIP and HIP, making it possible to operate organic field-effect transistors (OFETs) containing the compressed powder as the semiconductor. The CIP-compressed powder of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) had a hole mobility of (1.6 ± 0.4) × 10-2 cm2/Vs. HIP of C8-BTBT powder increased the hole mobility to an amorphous silicon-like value (0.22 ± 0.07 cm2/Vs) because of the growth of the C8-BTBT crystallites and the improved continuity between the powder particles. The vacuum and solution processes are not involved in our CIP and HIP techniques, offering a possibility of manufacturing OFETs at low cost.

  3. The development of a solvent-free approach for the determination of petroleum hydrocarbons in water

    International Nuclear Information System (INIS)

    Ehntholt, D.J.; Bodek, I.; Miseo, E.V.

    1995-01-01

    Current analytical methods for analysis of total petroleum hydrocarbons or oil and grease in water use extraction of 1.5 liters of the aqueous sample with three aliquots of Freon 113, drying with silica gel and subsequent analysis by infrared spectroscopy at 2,930 cm -1 . The use of chlorofluorocarbons is unacceptable based on environmental concerns regarding the degradation of the ozone layer by photochemical reactions of halocarbons. Due to these environmental concerns, various international agreements have resulted in a plan to eliminate CFCs by the year 2000. A new approach relies on a solid/liquid extraction with thermal desorption of the analytes into a gas stream. The gas stream is analyzed by infrared spectroscopy and the analytes quantified. The steps in the analysis are presented. A known volume of aqueous sample (typically between 10 and 50 ml) is passed through a selectively absorbent resin such as XAD-16. The analytes are absorbed onto the resin, while the water passes through. The analytes are thermally desorbed using a stream of IR transparent gas such as N 2 , At or He which flushes the analytes into a suitable gas cell. The spectrum of the sample is either collected using a Fourier transform spectrometer and commercially available GC/IR or kinetic data collection software or a single wavelength measurement is made using a filter or prism instrument. By integrating the area under the curve for the infrared response versus desorption time, the concentration of the analytes can be calculated

  4. Green production of cocrystals using a new solvent-free approach by spray congealing.

    Science.gov (United States)

    Duarte, Íris; Andrade, Rita; Pinto, João F; Temtem, Márcio

    2016-06-15

    Pharmaceutical cocrystals are used as a strategy to overcome poor physicochemical properties of drugs. The use of cocrystals in the pharmaceutical industry remains to be fully exploited due, in part, to the scarcity of suitable large-scale production methods and lack of robust and cost-effective processes. To overcome these challenges, spray congealing was used for the first time in the preparation of cocrystals. The work considered a feasibility study, followed by a design of experiments to assess the impact of varying atomization and cooling-related process parameters on cocrystal formation, purity, particle size, shape and bulk powder flow properties. It was demonstrated that spray congealing could be used to produce cocrystals. The thermal analysis and X-ray results of the spray-congealed products were different from the pure components or physical mixtures and were aligned with those reported for the same cocrystals systems produced by other techniques. Cocrystal particles were compact and spherical consisting of aggregates of individual cocrystals entangled or adhered with each other. From the design of experiments, the results demonstrated that varying the process parameters did not influence cocrystal formation, but had an impact on cocrystal purity. Moreover, it was demonstrated that cocrystal particle properties can be adjusted, in situ, by varying atomization and cooling efficiency, in order to produce particles more suited for incorporation in final dosage forms such as tablets. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Solvent-Free Synthesis of Quaternary Metal Sulfide Nanoparticles Derived from Thiourea

    KAUST Repository

    Bhunia, Manas Kumar

    2017-08-09

    The synthesis of metal sulfide (MS) materials with sizes in the sub-10 nm regime often requires capping agents with long hydrocarbon chains that affect their structures and properties. Herein, this study presents a molten-state synthesis method for a series of transition-MS nanoparticles using thiourea as a reactive precursor without capping agents. This study also reports the synthesis of MS with single metals (Fe, Co, Ni, Cu, and Zn) and quaternary CuGa2In3S8 using the same synthesis protocol. Thiourea first melts to form a molten-state condition to serve as the reaction medium at a relatively low temperature (<200 °C), followed by its thermal decomposition to induce a reaction with the metal precursor to form different MS. This synthesis protocol, owing to its dynamic characteristics, involves the formation of a variety of organic carbon nitride polymeric complexes around the MS particles. Dynamic nuclear polarization surface-enhanced nuclear magnetic resonance spectroscopy is effective to identify the polymeric compositions and structures as well as their interactions with the MS. These results provided thorough structural descriptions of the MS nanoparticles surrounded by the carbon nitride species derived from thiourea, which may find various applications, including photocatalytic water splitting.

  6. Vacuum-and-solvent-free fabrication of organic semiconductor layers for field-effect transistors

    Science.gov (United States)

    Matsushima, Toshinori; Sandanayaka, Atula S. D.; Esaki, Yu; Adachi, Chihaya

    2015-01-01

    We demonstrate that cold and hot isostatic pressing (CIP and HIP) is a novel, alternative method for organic semiconductor layer fabrication, where organic powder is compressed into a layer shape directly on a substrate with 200 MPa pressure. Spatial gaps between powder particles and the other particles, substrates, or electrodes are crushed after CIP and HIP, making it possible to operate organic field-effect transistors (OFETs) containing the compressed powder as the semiconductor. The CIP-compressed powder of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) had a hole mobility of (1.6 ± 0.4) × 10–2 cm2/Vs. HIP of C8-BTBT powder increased the hole mobility to an amorphous silicon-like value (0.22 ± 0.07 cm2/Vs) because of the growth of the C8-BTBT crystallites and the improved continuity between the powder particles. The vacuum and solution processes are not involved in our CIP and HIP techniques, offering a possibility of manufacturing OFETs at low cost. PMID:26416434

  7. Clean synthesis of biolubricant range esters using novel liquid lipase enzyme in solvent free medium.

    Science.gov (United States)

    Trivedi, Jayati; Aila, Mounika; Sharma, Chandra Dutt; Gupta, Piyush; Kaul, Savita

    2015-01-01

    In view of the rising global problems of environment pollution and degradation, the present process provides a 'green solution' to the synthesis of higher esters of lubricant range, more specifically in the range C12-C36, using different combinations of acids and alcohols, in a single step reaction. The esters produced are biodegradable in nature and have a plethora of uses, such as in additives, as lubricating oils and other hydraulic fluids. The enzymatic esterification was performed using liquid (non-immobilized or free) lipase enzyme, without any additional organic solvent. Soluble lipase proves to be superior to immobilized enzymes as it is more cost effective and provides a faster process for the production of higher esters of lubricant range. An interesting finding was, that the lipase enzyme showed higher conversion rates with increasing carbon number of straight chain alcohols and acids. Reactions were carried out for the optimization of initial water concentration, temperature, pH of the substrate mixture and the chain length of the substrates. Under optimized conditions, the method was suitable to achieve ~ 99% conversion. Thus, the process provides an environment friendly, enzymatic alternative to the chemical route which is currently used in the industrial synthesis of lubricant components.

  8. Polar-solvent-free colloidal synthesis of highly luminescent alkylammonium lead halide perovskite nanocrystals

    Science.gov (United States)

    Vybornyi, Oleh; Yakunin, Sergii; Kovalenko, Maksym V.

    2016-03-01

    A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2.A novel synthesis of hybrid organic-inorganic lead halide perovskite nanocrystals (CH3NH3PbX3, X = Br or I) that does not involve the use of dimethylformamide or other polar solvents is presented. The reaction between methylamine and PbX2 salts is conducted in a high-boiling nonpolar solvent (1-octadecene) in the presence of oleylamine and oleic acid as coordinating ligands. The resulting nanocrystals are characterized by high photoluminescence quantum efficiencies of 15-50%, outstanding phase purity and tunable shapes (nanocubes, nanowires, and nanoplatelets). Nanoplatelets spontaneously assemble into micrometer-length wires by face-to-face stacking. In addition, we demonstrate amplified spontaneous emission from thin films of green-emitting CH3NH3PbBr3 nanowires with low pumping thresholds of 3 μJ cm-2. Electronic supplementary information (ESI) available: Materials and methods, additional figures. See DOI: 10.1039/c5nr06890h

  9. New Trend for Acceleration Solid Phase Extraction Process Based on Using Magnetic Nano-adsorbents along with Surface Functionalization through Microwave Assisted Solvent-free Technique.

    Science.gov (United States)

    Ahmed, Salwa A; Soliman, Ezzat M

    2015-01-01

    The use of a microwave assisted solvent-free technique for silica coating of iron magnetic nanoparticles (Fe3O4-MNPs) and their functionalization with three aliphatic diamines: 1,2-ethylenediamine (1,2EDA), 1,5-pentanediamine (1,5PDA) and 1.8-octanediamine (1,8-ODA), were successfully achieved in a very short time. Only 60 min were needed for the nano-adsorbent modification as compared with more than 1000 min using conventional methods under reflux conditions. Their surface characteristics (observed by TEM, XRD and FT-IR), in addition to Cu(II) adsorption capacities (1.805, 1.928 and 2.116 mmol g(-1)) and time of equilibration (5 s) were almost the same. Thus, the time required to accomplish the solid phase extraction process is greatly reduced. On the other hand, the phenomenon of the fast equilibration kinetics was successfully extended on using the functionalized aliphatic diamines magnetic nano-adsorbents as precursors for further microwave treatment. Three selective magnetic nano-adsorbents (Fe3O4-MNPs-SiO2-1,2EDA-3FSA, Fe3O4-MNPs-SiO2-1,5PDA-3FSA and Fe3O4-MNPs-SiO2-1,8ODA-3FSA) were obtained via the reaction with 3-formayl salicylic acid (3FSA) as a selective reagent for Fe(III). At 5 s contact time, they exhibited maximum Fe(III) uptake equal to 4.512, 4.987 and 5.367 mmol g(-1), respectively. Furthermore, modeling of values of metal uptake capacity obtained at different shaking time intervals supports pseudo-second order kinetics.

  10. Synthetic samples as imitators of elements composition for calibration in nuclear-physical methods of analysis

    International Nuclear Information System (INIS)

    Lakhov, V.M.; Gerling, V.Eh.; Il'ina, L.K.; Trojnina, G.G.; Galisheva, Eh.P.

    1987-01-01

    The papers on the problems of developing and application of synthetic standard samples (SS), imitating the substance and material (rocks, ores) element composition aimed at calibration, testing and certification of the equipment as well as check on the results of neutron-activation, X-ray spectral, X-ray radiometric, X-ray fluorescence and other nuclear-physical methods of analysis, are reviewed. It is shown that choice of SS preparation method is defined by peculiarities of analysis method for which calibration SS is designed. Experience in application of SS imitators of element composition in interlaboratory comparisons testifies to potential application of synthetic SS for calibration in different methods of analysis including, nuclear-physical ones

  11. Facile and solvent-free routes for the synthesis of size-controllable Fe3O4 nanoparticles

    International Nuclear Information System (INIS)

    Ngo, Thanh Hieu; Tran, Dai Lam; Do, Hung Manh; Le, Van Hong; Nguyen, Xuan Phuc; Tran, Vinh Hoang

    2010-01-01

    Magnetite nanoparticles are one of the most important materials that are widely used in both medically diagnostic and therapeutic research. In this paper, we present some facile and non-toxic synthetic approaches for size-controllable preparations of magnetite nanoparticles, which are appropriate for biomedical applications, namely (i) co-precipitation; (ii) reduction–precipitation and (iii) oxidation–precipitation. Magnetic characterizations of the obtained nanoparticles have been studied and discussed. The oxidation precipitation route was chosen for investigation of the dependence of kinetic driven activation energy and that of coercive force on particle size (and temperature) during the course of the reaction. The structural–magnetic behavior was also correlated. Being solvent and surfactant-free, these methods are advantageous for synthesis and further functionalization towards biomedical applications

  12. SPECTROPHOTOMETRIC METHOD FOR SIMULTANEOUS ESTIMATION OF TOLPERISONE HYDROCHLORIDE AND DICLOFENAC SODIUM IN SYNTHETIC MIXTURE

    OpenAIRE

    Patel Satish A; Hariyani Kaushik P

    2012-01-01

    The present manuscript describes simple, sensitive, rapid, accurate, precise and economical spectrophotometric method for the simultaneous determination of Diclofenac sodium and Tolperisone hydrochloride in bulk and synthetic mixture. The method is based on the simultaneous equations for analysis of both the drugs using methanol as solvent. Diclofenac sodium has absorbance maxima at 281 nm and Tolperisone hydrochloride has absorbance maxima at 255 nm in methanol. The linearity was obtained in...

  13. SPECTROPHOTOMETRIC METHOD FOR SIMULTANEOUS ESTIMATION OF EPERISONE HYDROCHLORIDE AND DICLOFENAC SODIUM IN SYNTHETIC MIXTURE

    OpenAIRE

    Patel Paresh U; Patel Sejal K; Patel Umang J

    2012-01-01

    The present manuscript describes simple, sensitive, rapid, accurate, precise and economical spectrophotometric method for the simultaneous determination of diclofenac sodium and Eperisone hydrochloride in bulk and synthetic mixture. The method is based on the simultaneous equations for analysis of both the drugs using methanol as solvent. Diclofenac sodium has absorbance maxima at 281 nm and Eperisone hydrochloride has absorbance maxima at 255 nm in methanol. The linearity was obtained in the...

  14. The generalized PN synthetic acceleration method for linear transport problems with highly anisotropic scattering

    International Nuclear Information System (INIS)

    Khattab, K.M.

    1998-01-01

    The diffusion synthetic acceleration (DSA) method has been known to be an effective tool for accelerating the iterative solution of transport equations with isotopic or mildly anisotropic scattering. However, the DSA method is not effective for transport equations that have strongly anisotropic scattering. A generalization of the modified DSA (MDSA) methods is proposed. This method converges (Clock time) faster than the MDSA method. It is developed, the results of a Fourier analysis that theoretically predicts its efficiency are described, and numerical results that verify the theoretical prediction are presented. (author). 9 refs., 2 tabs., 5 figs

  15. The generalized PN synthetic acceleration method for linear transport problems with highly anisotropic scattering

    International Nuclear Information System (INIS)

    Khattab, K.M.

    1997-01-01

    The diffusion synthetic acceleration (DSA) method has been known to be an effective tool for accelerating the iterative solution of transport equations with isotropic or mildly anisotropic scattering. However, the DSA method is not effective for transport equations that have strongly anisotropic scattering. A generalization of the modified DSA (MDSA) method is proposed that converges (clock time) faster than the MDSA method. This method is developed, the results of a Fourier analysis that theoretically predicts its efficiency are described, and numerical results that verify the theoretical prediction are presented

  16. Synthetic methods for beam to beam power balancing capability of large laser facilities

    International Nuclear Information System (INIS)

    Chen Guangyu; Zhang Xiaomin; Zhao Runchang; Zheng Wanguo; Yang Xiaoyu; You Yong; Wang Chengcheng; Shao Yunfei

    2011-01-01

    To account for output power balancing capability of large laser facilities, a synthetic method with beam to beam root-mean-square is presented. Firstly, a conversion process for the facilities from original data of beam powers to regular data is given. The regular data contribute to the normal distribution approximately, and then a corresponding simple method of root-mean-square for beam to beam power balancing capability is given.Secondly, based on theory of total control charts and cause-selecting control charts, control charts with root-mean-square are established which show short-term variety of power balancing capability of the facilities. Mean rate of failure occurrence is also defined and used to describe long-term trend of global balancing capabilities of the facilities. Finally, advantages of the intuitive and efficient diagnosis for synthetic methods are illustrated by analysis of experimental data. (authors)

  17. Synthetic acceleration methods for linear transport problems with highly anisotropic scattering

    International Nuclear Information System (INIS)

    Khattab, K.M.

    1989-01-01

    One of the iterative methods which is used to solve the discretized transport equation is called the Source Iteration Method (SI). The SI method converges very slowly for problems with optically thick regions and scattering ratios (σ s /σ t ) near unity. The Diffusion-Synthetic Acceleration method (DSA) is one of the methods which has been devised to improve the convergence rate of the SI method. The DSA method is a good tool to accelerate the SI method, if the particle which is being dealt with is a neutron. This is because the scattering process for neutrons is not severely anisotropic. However, if the particle is a charged particle (electron), DSA becomes ineffective as an acceleration device because here the scattering process is severely anisotropic. To improve the DSA algorithm for electron transport, the author approaches the problem in two different ways in this thesis. He develops the first approach by accelerating more angular moments (φ 0 , φ 1 , φ 2 , φ 3 ,...) than is done in DSA; he calls this approach the Modified P N Synthetic Acceleration (MPSA) method. In the second approach he modifies the definition of the transport sweep, using the physics of the scattering; he calls this approach the Modified Diffusion Synthetic Acceleration (MDSA) method. In general, he has developed, analyzed, and implemented the MPSA and MDSA methods in this thesis and has shown that for a high order quadrature set and mesh widths about 1.0 cm, they are each about 34 times faster (clock time) than the DSA method. Also, he has found that the MDSA spectral radius decreases as the mesh size increases. This makes the MDSA method a better choice for large spatial meshes

  18. Diffusion-synthetic acceleration methods for the discrete-ordinates equations

    International Nuclear Information System (INIS)

    Larsen, E.W.

    1983-01-01

    The diffusion-synthetic acceleration (DSA) method is an iterative procedure for obtaining numerical solutions of discrete-ordinates problems. The DSA method is operationally more complicated than the standard source-iteration (SI) method, but if encoded properly it converges much more rapidly, especially for problems with diffusion-like regions. In this article we describe the basic ideas beind the DSA method and give a (roughly chronological) review of its long development. We conclude with a discussion which covers additional topics, including some remaining open problems and the status of current efforts aimed at solving these problems

  19. Molybdenum oxide supported on silica (MoO{sub 3}/SiO{sub 2}): an efficient and reusable catalyst for the synthesis of 1,8-dioxodecahydroacridines under solvent-free conditions

    Energy Technology Data Exchange (ETDEWEB)

    Khojastehnezhad, A.; Vafaei, M. [Islamic Azad University, Mashhad Branch, Department of Chemistry, Mashhad (Iran, Islamic Republic of); Moeinpour, F., E-mail: akhojastehnezhad@yahoo.com [Islamic Azad University, Bandar Abbas Branch, Department of Chemistry, Bandar Abbas (Iran, Islamic Republic of)

    2014-07-01

    Silica supported molybdenum oxide (MoO{sub 3}/SiO{sub 2}) was found to be and efficient, eco-friendly and heterogeneous catalyst for the multicomponent reaction of aromatic aldehydes, dimedone and ammonium acetate or aromatic amines under solvent-free conditions to afford the corresponding 1,8-dioxodecahydroacridines in high yields. The catalyst can be easily recovered and reused for several times without considerable loss of activity. Furthermore, the present method offers several advantages, such as an easy experimental and work-up procedures, short reaction times and good to excellent yields. For the characterization were used: Fourier transform infrared spectroscopy (Ft-IR), X-ray diffraction and scanning electron microscopy analyses. (Author)

  20. Molybdenum oxide supported on silica (MoO3/SiO2): an efficient and reusable catalyst for the synthesis of 1,8-dioxodecahydroacridines under solvent-free conditions

    International Nuclear Information System (INIS)

    Khojastehnezhad, A.; Vafaei, M.; Moeinpour, F.

    2014-01-01

    Silica supported molybdenum oxide (MoO 3 /SiO 2 ) was found to be and efficient, eco-friendly and heterogeneous catalyst for the multicomponent reaction of aromatic aldehydes, dimedone and ammonium acetate or aromatic amines under solvent-free conditions to afford the corresponding 1,8-dioxodecahydroacridines in high yields. The catalyst can be easily recovered and reused for several times without considerable loss of activity. Furthermore, the present method offers several advantages, such as an easy experimental and work-up procedures, short reaction times and good to excellent yields. For the characterization were used: Fourier transform infrared spectroscopy (Ft-IR), X-ray diffraction and scanning electron microscopy analyses. (Author)

  1. Nano crystalline ZnO catalyzed one pot three-component synthesis of 7-alkyl-6H,7H- naphtho[1',2':5,6]pyrano[3,2-c] chromen-6-ones under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    M. J. Piltan

    2016-08-01

    Full Text Available In the present paper, an efficient one-pot synthesis of 7-alkyl-6H,7H-naphtho[1',2':5,6]pyrano[3,2-c]chromen-6-ones is described by three-component reaction of β-naphthol, aromatic aldehydes and 4-hydroxycoumarin using ZnO nanoparticles under solvent-free conditions. The present method provides a novel and efficient procedure for the synthesis of chromene derivatives with some advantageous such as short reaction times, easy workup, high yields, wide range of products, reusability of the catalyst, little catalyst loading and green conditions in the presence of ZnO nanoparticles (7 mol% at 110 ºC.

  2. A facile solvent-free Synthesis Route for the Assembly of Highly CO2 Selective and H2S tolerant NiSIFSIX Metal-Organic Framework

    KAUST Repository

    Eddaoudi, Mohamed; Shekhah, Osama; Belmabkhout, Youssef; Adil, Karim; Cairns, Amy J.; Bhatt, Prashant

    2015-01-01

    The development of materials for CO2 capture with high selectivity and high tolerance to H2S is of prime importance for various industrially relevant gas streams (e.g. natural gas and biogas upgrading as well as pre-combustion capture). Here, we report the successful fabrication of a MOF with combined exceptional CO2 capture properties and H2S tolerance, namely Ni SIFSIX based-MOF using both solvothermal and solvent-free methodologies.

  3. A facile solvent-free Synthesis Route for the Assembly of Highly CO2 Selective and H2S tolerant NiSIFSIX Metal-Organic Framework

    KAUST Repository

    Eddaoudi, Mohamed

    2015-07-06

    The development of materials for CO2 capture with high selectivity and high tolerance to H2S is of prime importance for various industrially relevant gas streams (e.g. natural gas and biogas upgrading as well as pre-combustion capture). Here, we report the successful fabrication of a MOF with combined exceptional CO2 capture properties and H2S tolerance, namely Ni SIFSIX based-MOF using both solvothermal and solvent-free methodologies.

  4. Omics Methods for Probing the Mode of Action of Natural and Synthetic Phytotoxins

    OpenAIRE

    Duke, Stephen O.; Bajsa, Joanna; Pan, Zhiqiang

    2013-01-01

    For a little over a decade, omics methods (transcriptomics, proteomics, metabolomics, and physionomics) have been used to discover and probe the mode of action of both synthetic and natural phytotoxins. For mode of action discovery, the strategy for each of these approaches is to generate an omics profile for phytotoxins with known molecular targets and to compare this library of responses to the responses of compounds with unknown modes of action. Using more than one omics approach enhances ...

  5. Earthquake Building Damage Mapping Based on Feature Analyzing Method from Synthetic Aperture Radar Data

    Science.gov (United States)

    An, L.; Zhang, J.; Gong, L.

    2018-04-01

    Playing an important role in gathering information of social infrastructure damage, Synthetic Aperture Radar (SAR) remote sensing is a useful tool for monitoring earthquake disasters. With the wide application of this technique, a standard method, comparing post-seismic to pre-seismic data, become common. However, multi-temporal SAR processes, are not always achievable. To develop a post-seismic data only method for building damage detection, is of great importance. In this paper, the authors are now initiating experimental investigation to establish an object-based feature analysing classification method for building damage recognition.

  6. A synthetic-eddy-method for generating inflow conditions for large-eddy simulations

    International Nuclear Information System (INIS)

    Jarrin, N.; Benhamadouche, S.; Laurence, D.; Prosser, R.

    2006-01-01

    The generation of inflow data for spatially developing turbulent flows is one of the challenges that must be addressed prior to the application of LES to industrial flows and complex geometries. A new method of generation of synthetic turbulence, suitable for complex geometries and unstructured meshes, is presented herein. The method is based on the classical view of turbulence as a superposition of coherent structures. It is able to reproduce prescribed first and second order one point statistics, characteristic length and time scales, and the shape of coherent structures. The ability of the method to produce realistic inflow conditions in the test cases of a spatially decaying homogeneous isotropic turbulence and of a fully developed turbulent channel flow is presented. The method is systematically compared to other methods of generation of inflow conditions (precursor simulation, spectral methods and algebraic methods)

  7. Future developments and technological and economic assessment of methods for producing synthetic liquid fuel from coal

    Energy Technology Data Exchange (ETDEWEB)

    Shlikhter, E B; Khor' kov, A V; Zhorov, Yu M

    1980-11-01

    Promising methods for obtaining synthetic liquid fuel from coal are surveyed and described: thermal dissolution of coal by means of a hydrogen donor solution: hydrogenation; gasification with subsequent synthesis and pyrolysis. A technological and economic assessment of the above processes is given. Emphasis is placed on methods employing catalytic conversion of methanol into hydrocarbon fuels. On the basis of thermodynamic calculations of the process for obtaining high-calorific liquid fuel from methanol the possibility of obtaining diesel fractions as well as gasoline is demonstrated. (12 refs.) (In Russian)

  8. Synthetic acceleration methods for linear transport problems with highly anisotropic scattering

    International Nuclear Information System (INIS)

    Khattab, K.M.; Larsen, E.W.

    1992-01-01

    The diffusion synthetic acceleration (DSA) algorithm effectively accelerates the iterative solution of transport problems with isotropic or mildly anisotropic scattering. However, DSA loses its effectiveness for transport problems that have strongly anisotropic scattering. Two generalizations of DSA are proposed, which, for highly anisotropic scattering problems, converge at least an order of magnitude (clock time) faster than the DSA method. These two methods are developed, the results of Fourier analysis that theoretically predict their efficiency are described, and numerical results that verify the theoretical predictions are presented. (author). 10 refs., 7 figs., 5 tabs

  9. Synthetic acceleration methods for linear transport problems with highly anisotropic scattering

    International Nuclear Information System (INIS)

    Khattab, K.M.; Larsen, E.W.

    1991-01-01

    This paper reports on the diffusion synthetic acceleration (DSA) algorithm that effectively accelerates the iterative solution of transport problems with isotropic or mildly anisotropic scattering. However, DSA loses its effectiveness for transport problems that have strongly anisotropic scattering. Two generalizations of DSA are proposed, which, for highly anisotropic scattering problems, converge at least an order of magnitude (clock time) faster than the DSA method. These two methods are developed, the results of Fourier analyses that theoretically predict their efficiency are described, and numerical results that verify the theoretical predictions are presented

  10. THE SYNTHETIC-OVERSAMPLING METHOD: USING PHOTOMETRIC COLORS TO DISCOVER EXTREMELY METAL-POOR STARS

    Energy Technology Data Exchange (ETDEWEB)

    Miller, A. A., E-mail: amiller@astro.caltech.edu [Jet Propulsion Laboratory, 4800 Oak Grove Drive, MS 169-506, Pasadena, CA 91109 (United States)

    2015-09-20

    Extremely metal-poor (EMP) stars ([Fe/H] ≤ −3.0 dex) provide a unique window into understanding the first generation of stars and early chemical enrichment of the universe. EMP stars are exceptionally rare, however, and the relatively small number of confirmed discoveries limits our ability to exploit these near-field probes of the first ∼500 Myr after the Big Bang. Here, a new method to photometrically estimate [Fe/H] from only broadband photometric colors is presented. I show that the method, which utilizes machine-learning algorithms and a training set of ∼170,000 stars with spectroscopically measured [Fe/H], produces a typical scatter of ∼0.29 dex. This performance is similar to what is achievable via low-resolution spectroscopy, and outperforms other photometric techniques, while also being more general. I further show that a slight alteration to the model, wherein synthetic EMP stars are added to the training set, yields the robust identification of EMP candidates. In particular, this synthetic-oversampling method recovers ∼20% of the EMP stars in the training set, at a precision of ∼0.05. Furthermore, ∼65% of the false positives from the model are very metal-poor stars ([Fe/H] ≤ −2.0 dex). The synthetic-oversampling method is biased toward the discovery of warm (∼F-type) stars, a consequence of the targeting bias from the Sloan Digital Sky Survey/Sloan Extension for Galactic Understanding survey. This EMP selection method represents a significant improvement over alternative broadband optical selection techniques. The models are applied to >12 million stars, with an expected yield of ∼600 new EMP stars, which promises to open new avenues for exploring the early universe.

  11. Estimating the Impacts of Local Policy Innovation: The Synthetic Control Method Applied to Tropical Deforestation.

    Science.gov (United States)

    Sills, Erin O; Herrera, Diego; Kirkpatrick, A Justin; Brandão, Amintas; Dickson, Rebecca; Hall, Simon; Pattanayak, Subhrendu; Shoch, David; Vedoveto, Mariana; Young, Luisa; Pfaff, Alexander

    2015-01-01

    Quasi-experimental methods increasingly are used to evaluate the impacts of conservation interventions by generating credible estimates of counterfactual baselines. These methods generally require large samples for statistical comparisons, presenting a challenge for evaluating innovative policies implemented within a few pioneering jurisdictions. Single jurisdictions often are studied using comparative methods, which rely on analysts' selection of best case comparisons. The synthetic control method (SCM) offers one systematic and transparent way to select cases for comparison, from a sizeable pool, by focusing upon similarity in outcomes before the intervention. We explain SCM, then apply it to one local initiative to limit deforestation in the Brazilian Amazon. The municipality of Paragominas launched a multi-pronged local initiative in 2008 to maintain low deforestation while restoring economic production. This was a response to having been placed, due to high deforestation, on a federal "blacklist" that increased enforcement of forest regulations and restricted access to credit and output markets. The local initiative included mapping and monitoring of rural land plus promotion of economic alternatives compatible with low deforestation. The key motivation for the program may have been to reduce the costs of blacklisting. However its stated purpose was to limit deforestation, and thus we apply SCM to estimate what deforestation would have been in a (counterfactual) scenario of no local initiative. We obtain a plausible estimate, in that deforestation patterns before the intervention were similar in Paragominas and the synthetic control, which suggests that after several years, the initiative did lower deforestation (significantly below the synthetic control in 2012). This demonstrates that SCM can yield helpful land-use counterfactuals for single units, with opportunities to integrate local and expert knowledge and to test innovations and permutations on policies

  12. Estimating the Impacts of Local Policy Innovation: The Synthetic Control Method Applied to Tropical Deforestation

    Science.gov (United States)

    Sills, Erin O.; Herrera, Diego; Kirkpatrick, A. Justin; Brandão, Amintas; Dickson, Rebecca; Hall, Simon; Pattanayak, Subhrendu; Shoch, David; Vedoveto, Mariana; Young, Luisa; Pfaff, Alexander

    2015-01-01

    Quasi-experimental methods increasingly are used to evaluate the impacts of conservation interventions by generating credible estimates of counterfactual baselines. These methods generally require large samples for statistical comparisons, presenting a challenge for evaluating innovative policies implemented within a few pioneering jurisdictions. Single jurisdictions often are studied using comparative methods, which rely on analysts’ selection of best case comparisons. The synthetic control method (SCM) offers one systematic and transparent way to select cases for comparison, from a sizeable pool, by focusing upon similarity in outcomes before the intervention. We explain SCM, then apply it to one local initiative to limit deforestation in the Brazilian Amazon. The municipality of Paragominas launched a multi-pronged local initiative in 2008 to maintain low deforestation while restoring economic production. This was a response to having been placed, due to high deforestation, on a federal “blacklist” that increased enforcement of forest regulations and restricted access to credit and output markets. The local initiative included mapping and monitoring of rural land plus promotion of economic alternatives compatible with low deforestation. The key motivation for the program may have been to reduce the costs of blacklisting. However its stated purpose was to limit deforestation, and thus we apply SCM to estimate what deforestation would have been in a (counterfactual) scenario of no local initiative. We obtain a plausible estimate, in that deforestation patterns before the intervention were similar in Paragominas and the synthetic control, which suggests that after several years, the initiative did lower deforestation (significantly below the synthetic control in 2012). This demonstrates that SCM can yield helpful land-use counterfactuals for single units, with opportunities to integrate local and expert knowledge and to test innovations and permutations on

  13. Estimating the Impacts of Local Policy Innovation: The Synthetic Control Method Applied to Tropical Deforestation.

    Directory of Open Access Journals (Sweden)

    Erin O Sills

    Full Text Available Quasi-experimental methods increasingly are used to evaluate the impacts of conservation interventions by generating credible estimates of counterfactual baselines. These methods generally require large samples for statistical comparisons, presenting a challenge for evaluating innovative policies implemented within a few pioneering jurisdictions. Single jurisdictions often are studied using comparative methods, which rely on analysts' selection of best case comparisons. The synthetic control method (SCM offers one systematic and transparent way to select cases for comparison, from a sizeable pool, by focusing upon similarity in outcomes before the intervention. We explain SCM, then apply it to one local initiative to limit deforestation in the Brazilian Amazon. The municipality of Paragominas launched a multi-pronged local initiative in 2008 to maintain low deforestation while restoring economic production. This was a response to having been placed, due to high deforestation, on a federal "blacklist" that increased enforcement of forest regulations and restricted access to credit and output markets. The local initiative included mapping and monitoring of rural land plus promotion of economic alternatives compatible with low deforestation. The key motivation for the program may have been to reduce the costs of blacklisting. However its stated purpose was to limit deforestation, and thus we apply SCM to estimate what deforestation would have been in a (counterfactual scenario of no local initiative. We obtain a plausible estimate, in that deforestation patterns before the intervention were similar in Paragominas and the synthetic control, which suggests that after several years, the initiative did lower deforestation (significantly below the synthetic control in 2012. This demonstrates that SCM can yield helpful land-use counterfactuals for single units, with opportunities to integrate local and expert knowledge and to test innovations and

  14. Assessment of Reynolds stresses tensor reconstruction methods for synthetic turbulent inflow conditions. Application to hybrid RANS/LES methods

    International Nuclear Information System (INIS)

    Laraufie, Romain; Deck, Sébastien

    2013-01-01

    Highlights: • Present various Reynolds stresses reconstruction methods from a RANS-SA flow field. • Quantify the accuracy of the reconstruction methods for a wide range of Reynolds. • Evaluate the capabilities of the overall process (Reconstruction + SEM). • Provide practical guidelines to realize a streamwise RANS/LES (or WMLES) transition. -- Abstract: Hybrid or zonal RANS/LES approaches are recognized as the most promising way to accurately simulate complex unsteady flows under current computational limitations. One still open issue concerns the transition from a RANS to a LES or WMLES resolution in the stream-wise direction, when near wall turbulence is involved. Turbulence content has then to be prescribed at the transition to prevent from turbulence decay leading to possible flow relaminarization. The present paper aims to propose an efficient way to generate this switch, within the flow, based on a synthetic turbulence inflow condition, named Synthetic Eddy Method (SEM). As the knowledge of the whole Reynolds stresses is often missing, the scope of this paper is focused on generating the quantities required at the SEM inlet from a RANS calculation, namely the first and second order statistics of the aerodynamic field. Three different methods based on two different approaches are presented and their capability to accurately generate the needed aerodynamic values is investigated. Then, the ability of the combination SEM + Reconstruction method to manufacture well-behaved turbulence is demonstrated through spatially developing flat plate turbulent boundary layers. In the mean time, important intrinsic features of the Synthetic Eddy method are pointed out. The necessity of introducing, within the SEM, accurate data, with regards to the outer part of the boundary layer, is illustrated. Finally, user’s guidelines are given depending on the Reynolds number based on the momentum thickness, since one method is suitable for low Reynolds number while the

  15. Layered double hydroxides as the next generation inorganic anion exchangers: Synthetic methods versus applicability.

    Science.gov (United States)

    Chubar, Natalia; Gilmour, Robert; Gerda, Vasyl; Mičušík, Matej; Omastova, Maria; Heister, Katja; Man, Pascal; Fraissard, Jacques; Zaitsev, Vladimir

    2017-07-01

    This work is the first report that critically reviews the properties of layered double hydroxides (LDHs) on the level of speciation in the context of water treatment application and dynamic adsorption conditions, as well as the first report to associate these properties with the synthetic methods used for LDH preparation. Increasingly stronger maximum allowable concentrations (MAC) of various contaminants in drinking water and liquid foodstuffs require regular upgrades of purification technologies, which might also be useful in the extraction of valuable substances for reuse in accordance with modern sustainability strategies. Adsorption is the main separation technology that allows the selective extraction of target substances from multicomponent solutions. Inorganic anion exchangers arrived in the water business relatively recently to achieve the newly approved standards for arsenic levels in drinking water. LDHs (or hydrotalcites, HTs) are theoretically the best anion exchangers due to their potential to host anions in their interlayer space, which increases their anion removal capacity considerably. This potential of the interlayer space to host additional amounts of target aqueous anions makes the LDHs superior to bulk anion exchanger. The other unique advantage of these layered materials is the flexibility of the chemical composition of the metal oxide-based layers and the interlayer anions. However, until now, this group of "classical" anion exchangers has not found its industrial application in adsorption and catalysis at the industrial scale. To accelerate application of LDHs in water treatment on the industrial scale, the authors critically reviewed recent scientific and technological knowledge on the properties and adsorptive removal of LDHs from water on the fundamental science level. This also includes review of the research tools useful to reveal the adsorption mechanism and the material properties beyond the nanoscale. Further, these properties are

  16. Prospects and technical and economic evaluation of methods for obtaining synthetic liquid from coal

    Energy Technology Data Exchange (ETDEWEB)

    Shlikhter, E B; Khor' kov, A V; Zhorov, Y M

    1980-11-01

    Rising oil prices and the exhaustion of cheap organic fuels point to the need for chemical processing of coal to obtain synthetic liquid fuels. Added importance for such development in the USSR is dictated by the remote location of many coal deposits, such as the Kansko-Achinsk basin. Methods for synthesizing described include thermal dissolution in a hydrogen donor solvent, hydrogenation, and gasification with subsequent synthesis and pyrolysis. The need for improved technology is stressed. Cost factors are related to the chemical process involved, rather than to losses in fuel quantities, and the methanol produced is readily transported by pipeline. It can be used for both gasoline and diesel fuels.

  17. Method for In-vivo Synthetic Aperture B-flow Imaging

    DEFF Research Database (Denmark)

    Jensen, Jørgen Arendt

    2004-01-01

    . The signal received by the 64 elements closets to the en-fission are sampled at 40 MHz and 12 bits at a pulse repetition frequency of 3 kHz. A full second of data is acquired from a healthy 29 years old male volunteer from the carotid artery. The data is beamformed, combined, and echo canceled off-line. High-pass......B-flow techniques introduced in commercial scanners have been useful is visualizing places of flow. The method is relatively independent of flow angle and can give a good perception of vessel location and turbulence. This paper introduces a technique for making a synthetic aperture B-flow system...

  18. Multiplexed genome engineering and genotyping methods applications for synthetic biology and metabolic engineering.

    Science.gov (United States)

    Wang, Harris H; Church, George M

    2011-01-01

    Engineering at the scale of whole genomes requires fundamentally new molecular biology tools. Recent advances in recombineering using synthetic oligonucleotides enable the rapid generation of mutants at high efficiency and specificity and can be implemented at the genome scale. With these techniques, libraries of mutants can be generated, from which individuals with functionally useful phenotypes can be isolated. Furthermore, populations of cells can be evolved in situ by directed evolution using complex pools of oligonucleotides. Here, we discuss ways to utilize these multiplexed genome engineering methods, with special emphasis on experimental design and implementation. Copyright © 2011 Elsevier Inc. All rights reserved.

  19. Effectiveness of various transport synthetic acceleration methods with and without GMRES

    International Nuclear Information System (INIS)

    Chang, J.H.; Adams, M.L.

    2005-01-01

    We explore the effectiveness of three types of transport synthetic acceleration (TSA) methods as stand-alone methods and as pre-conditioners within the GMRES Krylov solver. The three types are β TSA, 'stretched' TSA, and 'stretched and filtered' (SF) TSA. We analyzed the effectiveness of these algorithms using Fourier mode analysis of model two-dimensional problems with periodic boundary conditions, including problems with alternating layers of different materials. The analyses revealed that both β-TSA and stretched TSA can diverge for fairly weak heterogeneities. Performance of SF TSA, even with the optimum filtering parameter, degrades with heterogeneity. However, with GMRES, all TSA methods are convergent. SF TSA with the optimum filtering parameter was the most effective method. Numerical results support our Fourier mode analysis. (authors)

  20. A New Processing Method Combined with BP Neural Network for Francis Turbine Synthetic Characteristic Curve Research

    Directory of Open Access Journals (Sweden)

    Junyi Li

    2017-01-01

    Full Text Available A BP (backpropagation neural network method is employed to solve the problems existing in the synthetic characteristic curve processing of hydroturbine at present that most studies are only concerned with data in the high efficiency and large guide vane opening area, which can hardly meet the research requirements of transition process especially in large fluctuation situation. The principle of the proposed method is to convert the nonlinear characteristics of turbine to torque and flow characteristics, which can be used for real-time simulation directly based on neural network. Results show that obtained sample data can be extended successfully to cover working areas wider under different operation conditions. Another major contribution of this paper is the resampling technique proposed in the paper to overcome the limitation to sample period simulation. In addition, a detailed analysis for improvements of iteration convergence of the pressure loop is proposed, leading to a better iterative convergence during the head pressure calculation. Actual applications verify that methods proposed in this paper have better simulation results which are closer to the field and provide a new perspective for hydroturbine synthetic characteristic curve fitting and modeling.

  1. Investigation of synthetic aperture methods in ultrasound surface imaging using elementary surface types.

    Science.gov (United States)

    Kerr, W; Pierce, S G; Rowe, P

    2016-12-01

    Synthetic aperture imaging methods have been employed widely in recent research in non-destructive testing (NDT), but uptake has been more limited in medical ultrasound imaging. Typically offering superior focussing power over more traditional phased array methods, these techniques have been employed in NDT applications to locate and characterise small defects within large samples, but have rarely been used to image surfaces. A desire to ultimately employ ultrasonic surface imaging for bone surface geometry measurement prior to surgical intervention motivates this research, and results are presented for initial laboratory trials of a surface reconstruction technique based on global thresholding of ultrasonic 3D point cloud data. In this study, representative geometry artefacts were imaged in the laboratory using two synthetic aperture techniques; the Total Focusing Method (TFM) and the Synthetic Aperture Focusing Technique (SAFT) employing full and narrow synthetic apertures, respectively. Three high precision metallic samples of known geometries (cuboid, sphere and cylinder) which featured a range of elementary surface primitives were imaged using a 5MHz, 128 element 1D phased array employing both SAFT and TFM approaches. The array was manipulated around the samples using a precision robotic positioning system, allowing for repeatable ultrasound derived 3D surface point clouds to be created. A global thresholding technique was then developed that allowed the extraction of the surface profiles, and these were compared with the known geometry samples to provide a quantitative measure of error of 3D surface reconstruction. The mean errors achieved with optimised SAFT imaging for the cuboidal, spherical and cylindrical samples were 1.3mm, 2.9mm and 2.0mm respectively, while those for TFM imaging were 3.7mm, 3.0mm and 3.1mm, respectively. These results were contrary to expectations given the higher information content associated with the TFM images. However, it was

  2. Solvent-Free Lipase-Catalyzed Synthesis of Technical-Grade Sugar Esters and Evaluation of Their Physicochemical and Bioactive Properties

    Directory of Open Access Journals (Sweden)

    Ran Ye

    2016-05-01

    Full Text Available Technical-grade oleic acid esters of sucrose and fructose were prepared using solvent-free biocatalysis at 65 °C, without any downstream purification applied, and their physicochemical and bioactivity-related properties were evaluated and compared to a commercially available sucrose laurate emulsifier. To increase the conversion of sucrose and fructose oleate, prepared previously using solvent-free lipase-catalyzed esterification catalyzed by Rhizomucor miehei lipase (81% and 83% ester, respectively, the enzymatic reaction conditions was continued using CaSO4 to control the reactor’s air headspace and a lipase (from Candida antarctica B with a hydrophobic immobilization matrix to provide an ultralow water activity, and high-pressure homogenation, to form metastable suspensions of 2.0–3.3 micron sized saccharide particles in liquid-phase reaction media. These measures led to increased ester content of 89% and 96% for reactions involving sucrose and fructose, respectively. The monoester content among the esters decreased from 90% to <70% due to differences in regioselectivity between the lipases. The resultant technical-grade sucrose and fructose lowered the surface tension to <30 mN/m, and possessed excellent emulsification capability and stability over 36 h using hexadecane and dodecane as oils, comparable to that of sucrose laurate and Tween® 80. The technical-grade sugar esters, particularly fructose oleate, more effectively inhibited gram-positive foodborne pathogens (Lactobacillus plantarum, Pediococcus pentosaceus and Bacillus subtilis. Furthermore, all three sugar esters displayed antitumor activity, particularly the two sucrose esters. This study demonstrates the importance of controlling the biocatalysts’ water activity to achieve high conversion, the impact of a lipase’s regioselectivity in dictating product distribution, and the use of solvent-free biocatalysis to important biobased surfactants useful in foods, cosmetics

  3. FeF(3) catalyzed cascade C-C and C-N bond formation: synthesis of differentially substituted triheterocyclic benzothiazole functionalities under solvent-free condition.

    Science.gov (United States)

    Atar, Amol B; Jeong, Yeon Tae

    2014-05-01

    A series of diverse polyfunctionalized triheterocyclic benzothiazoles were easily prepared in excellent yields via the Biginelli reaction of 2-aminobenzothiazole with substituted benzaldehydes and α-methylene ketones using FeF(3) as an expeditious catalyst under solvent-free conditions. The protocol provides a practical and straightforward approach toward highly functionalized triheterocyclic benzothiazole derivatives in excellent yields. The reaction was conveniently promoted by FeF(3) and the catalyst could be recovered easily after the reaction and reused without any loss of its catalytic activity. The advantageous features of this methodology are high atom economy, operational simplicity, shorter reaction time, convergence, and facile automation.

  4. Parameters affecting incorporation and by-product formation during the production of structured phospholipids by lipase-catalyzed acidolysis in solvent free system

    DEFF Research Database (Denmark)

    Vikbjerg, Anders Falk; Mu, Huiling; Xu, Xuebing

    2005-01-01

    By-product formation is a serious problem in the lipase-catalyzed acyl exchange of phospholipids (PL). By-products are formed due to parallel hydrolysis reactions and acyl migration in the reaction system. A clear elucidation of these side reactions is important for practical operation in order...... to minimize by-products during reaction. In the present study we examined the Lipozyme RM IM-catalyzed acidolysis for the production of structured phospholipids between phosphatidylcholine (PC) and caprylic acid in the solvent free system. A five-factor response surface design was used to evaluate...

  5. Benign and efficient preparation of thioethers by solvent-free S-alkylation of thiols with alkyl halides catalyzed by potassium fluoride on alumina

    DEFF Research Database (Denmark)

    Nguyen, Kha Ngoc; Duus, Fritz; Luu, Thi Xuan Thi

    2016-01-01

    The preparation of thioethers by S-alkylation of various thiols with alkyl halides under solvent-free reaction conditions using potassium fluoride on alumina (KF/Al2O3) as a solid catalyst has been investigated in detail with respect to three different modes of reaction activation (ultrasound...... irradiation, microwave irradiation, and conventional heating) for obtaining maximum yield of the thioether. The importance of KF/Al2O3 as a particularly efficient catalyst was corroborated for all three modes of reaction activation, although the reaction time was found to be strongly dependent on the mode...

  6. Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

    OpenAIRE

    Lazzerini, GM; Paterno, GM; Tregnago, G; Treat, N; Stingelin, N; Yacoot, A; Cacialli, F

    2016-01-01

    We report high-resolution, traceable atomic force microscopymeasurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8???nm), was used to measure the cr...

  7. Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C-61-butyric acid methyl ester

    OpenAIRE

    Lazzerini, G. M.; Paterno, G. M.; Tregnago, G.; Treat, N.; Stingelin, N.; Yacoot, A.; Cacialli, F.

    2016-01-01

    We report high-resolution, traceable atomic force microscopymeasurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crys...

  8. Tetrabutylammonium Bromide Media Aza-Michael Addition of 1,2,3,6-Tetrahydrophthalimide to Symmetrical Fumaric Esters and Acrylic Esters under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Mohammadreza Zamanloo

    2010-10-01

    Full Text Available The aza-Michael addition of 1,2,3,6-tetrahydrophthalimide with symmetrical fumaric esters has been performed efficiently in a solvent-free system at 100 °C and using 1,4-diazabicyclo[2.2.2]octane (DABCO as a base in the presence of tetrabutylammonium bromide (TBAB. The products were obtained in good to high yields within 2.5-7.0 h. This reaction worked well on linear alkyl fumarates and was not effective with nonlinear alkyl fumarates. Although the reaction was also applicable to acrylates such as n-butyl acrylate, methacrylates and crotonates were not suitable Michael acceptors for this reaction.

  9. A Simple, Rapid and Mild One Pot Synthesis of Benzene Ring Acylated and Demethylated Analogues of Harmine under Solvent-free Conditions

    Directory of Open Access Journals (Sweden)

    Bina S. Siddiqui

    2008-08-01

    Full Text Available A simple, rapid, solvent-free, room temperature one pot synthesis of benzene ring acylated and demethylated analogues of harmine using acyl halides/acid anhydrides and AlCl3 has been developed. Eight different acyl halides/acid anhydrides were used in the synthesis. The resulting mixture of products was separated by column chromatography to afford 10- and 12-monoacyl analogues, along with 10,12-diacyl-11-hydroxy products. In five cases the corresponding 10-acyl-11-hydroxy analogues were also obtained. Yields from the eight syntheses (29 products in total were in the 6-34% range and all compounds were fully characterized.

  10. PETSTEP: Generation of synthetic PET lesions for fast evaluation of segmentation methods

    Science.gov (United States)

    Berthon, Beatrice; Häggström, Ida; Apte, Aditya; Beattie, Bradley J.; Kirov, Assen S.; Humm, John L.; Marshall, Christopher; Spezi, Emiliano; Larsson, Anne; Schmidtlein, C. Ross

    2016-01-01

    Purpose This work describes PETSTEP (PET Simulator of Tracers via Emission Projection): a faster and more accessible alternative to Monte Carlo (MC) simulation generating realistic PET images, for studies assessing image features and segmentation techniques. Methods PETSTEP was implemented within Matlab as open source software. It allows generating three-dimensional PET images from PET/CT data or synthetic CT and PET maps, with user-drawn lesions and user-set acquisition and reconstruction parameters. PETSTEP was used to reproduce images of the NEMA body phantom acquired on a GE Discovery 690 PET/CT scanner, and simulated with MC for the GE Discovery LS scanner, and to generate realistic Head and Neck scans. Finally the sensitivity (S) and Positive Predictive Value (PPV) of three automatic segmentation methods were compared when applied to the scanner-acquired and PETSTEP-simulated NEMA images. Results PETSTEP produced 3D phantom and clinical images within 4 and 6 min respectively on a single core 2.7 GHz computer. PETSTEP images of the NEMA phantom had mean intensities within 2% of the scanner-acquired image for both background and largest insert, and 16% larger background Full Width at Half Maximum. Similar results were obtained when comparing PETSTEP images to MC simulated data. The S and PPV obtained with simulated phantom images were statistically significantly lower than for the original images, but led to the same conclusions with respect to the evaluated segmentation methods. Conclusions PETSTEP allows fast simulation of synthetic images reproducing scanner-acquired PET data and shows great promise for the evaluation of PET segmentation methods. PMID:26321409

  11. Krylov iterative methods and synthetic acceleration for transport in binary statistical media

    International Nuclear Information System (INIS)

    Fichtl, Erin D.; Warsa, James S.; Prinja, Anil K.

    2009-01-01

    In particle transport applications there are numerous physical constructs in which heterogeneities are randomly distributed. The quantity of interest in these problems is the ensemble average of the flux, or the average of the flux over all possible material 'realizations.' The Levermore-Pomraning closure assumes Markovian mixing statistics and allows a closed, coupled system of equations to be written for the ensemble averages of the flux in each material. Generally, binary statistical mixtures are considered in which there are two (homogeneous) materials and corresponding coupled equations. The solution process is iterative, but convergence may be slow as either or both materials approach the diffusion and/or atomic mix limits. A three-part acceleration scheme is devised to expedite convergence, particularly in the atomic mix-diffusion limit where computation is extremely slow. The iteration is first divided into a series of 'inner' material and source iterations to attenuate the diffusion and atomic mix error modes separately. Secondly, atomic mix synthetic acceleration is applied to the inner material iteration and S 2 synthetic acceleration to the inner source iterations to offset the cost of doing several inner iterations per outer iteration. Finally, a Krylov iterative solver is wrapped around each iteration, inner and outer, to further expedite convergence. A spectral analysis is conducted and iteration counts and computing cost for the new two-step scheme are compared against those for a simple one-step iteration, to which a Krylov iterative method can also be applied.

  12. Thermal decomposition of synthetic antlerite prepared by microwave-assisted hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Koga, Nobuyoshi [Chemistry Laboratory, Graduate School of Education, Hiroshima University, 1-1-1 Kagamiyama, Higashi-Hiroshima 739-8524 (Japan)], E-mail: nkoga@hiroshima-u.ac.jp; Mako, Akira; Kimizu, Takaaki; Tanaka, Yuu [Chemistry Laboratory, Graduate School of Education, Hiroshima University, 1-1-1 Kagamiyama, Higashi-Hiroshima 739-8524 (Japan)

    2008-01-30

    Copper(II) hydroxide sulfate was synthesized by a microwave-assisted hydrothermal method from a mixed solution of CuSO{sub 4} and urea. Needle-like crystals of ca. 20-30 {mu}m in length precipitated by irradiating microwave for 1 min were characterized as Cu{sub 3}(OH){sub 4}SO{sub 4} corresponding to mineral antlerite. The reaction pathway and kinetics of the thermal decomposition of the synthetic antlerite Cu{sub 3}(OH){sub 4}SO{sub 4} were investigated by means of thermoanalytical techniques complemented by powder X-ray diffractometry and microscopic observations. The thermal decomposition of Cu{sub 3}(OH){sub 4}SO{sub 4} proceeded via two separated reaction steps of dehydroxylation and desulfation to produce CuO, where crystalline phases of Cu{sub 2}OSO{sub 4} and CuO appeared as the intermediate products. The kinetic characteristics of the respective steps were discussed in comparison with those of the synthetic brochantite Cu{sub 4}(OH){sub 6}SO{sub 4} reported previously.

  13. Engineering Bacteria to Search for Specific Concentrations of Molecules by a Systematic Synthetic Biology Design Method.

    Science.gov (United States)

    Tien, Shin-Ming; Hsu, Chih-Yuan; Chen, Bor-Sen

    2016-01-01

    Bacteria navigate environments full of various chemicals to seek favorable places for survival by controlling the flagella's rotation using a complicated signal transduction pathway. By influencing the pathway, bacteria can be engineered to search for specific molecules, which has great potential for application to biomedicine and bioremediation. In this study, genetic circuits were constructed to make bacteria search for a specific molecule at particular concentrations in their environment through a synthetic biology method. In addition, by replacing the "brake component" in the synthetic circuit with some specific sensitivities, the bacteria can be engineered to locate areas containing specific concentrations of the molecule. Measured by the swarm assay qualitatively and microfluidic techniques quantitatively, the characteristics of each "brake component" were identified and represented by a mathematical model. Furthermore, we established another mathematical model to anticipate the characteristics of the "brake component". Based on this model, an abundant component library can be established to provide adequate component selection for different searching conditions without identifying all components individually. Finally, a systematic design procedure was proposed. Following this systematic procedure, one can design a genetic circuit for bacteria to rapidly search for and locate different concentrations of particular molecules by selecting the most adequate "brake component" in the library. Moreover, following simple procedures, one can also establish an exclusive component library suitable for other cultivated environments, promoter systems, or bacterial strains.

  14. Method of predicting air pollution of coal mines with use of new synthetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Sukhanov, V V; Putilina, O.N.

    1988-08-01

    Presents a methodological approach that enables on the basis of laboratory experiment to give a hygienic evaluation of synthetic materials used in coal mines to harden coal and rock masses to prevent rock falls and caving and for hermetization of ventilation equipment. Polyurethane, carbamidoformaldehyde and phenolformaldehyde plastic foam are studied in an experiment tha examined quantitative emission ofsubstances from their original components in the process of forming contaminants. Synthetics in a beaker are placed in an exsiccator, mixed with air, samples of volatiles particles collected and dynamics of their emission are calculated using regression and linear equations. Amounts of 2,4- toluenediisocyanate and diethylamine produced by polyurethane, and formaldehyde and methanol from carbamidoformaldehyde did not exceed limits of maximum concentrations; phenolformaldehyde plastic foam produced amounts of phenols and formaldehydes that are significantly higher than maximal permissible concentrations. Laboratory procedure and use of formulae were confirmed by testing air in a Donetsugol' mine. Polyurethane and carbamidoformaldehyde didnot contaminate air above hygienically safe limits, while phenolformaldehyde plastic foam exceeded safety limits proving need for hygienic measures to protect miners from its contaminants. Adequacy of laboratory-mathematical method to evaluate emissions of harmful chemicals from resins under mining conditions shows value of laboratory testing of many resins for safety in mine use. 4 refs.

  15. Engineering Bacteria to Search for Specific Concentrations of Molecules by a Systematic Synthetic Biology Design Method.

    Directory of Open Access Journals (Sweden)

    Shin-Ming Tien

    Full Text Available Bacteria navigate environments full of various chemicals to seek favorable places for survival by controlling the flagella's rotation using a complicated signal transduction pathway. By influencing the pathway, bacteria can be engineered to search for specific molecules, which has great potential for application to biomedicine and bioremediation. In this study, genetic circuits were constructed to make bacteria search for a specific molecule at particular concentrations in their environment through a synthetic biology method. In addition, by replacing the "brake component" in the synthetic circuit with some specific sensitivities, the bacteria can be engineered to locate areas containing specific concentrations of the molecule. Measured by the swarm assay qualitatively and microfluidic techniques quantitatively, the characteristics of each "brake component" were identified and represented by a mathematical model. Furthermore, we established another mathematical model to anticipate the characteristics of the "brake component". Based on this model, an abundant component library can be established to provide adequate component selection for different searching conditions without identifying all components individually. Finally, a systematic design procedure was proposed. Following this systematic procedure, one can design a genetic circuit for bacteria to rapidly search for and locate different concentrations of particular molecules by selecting the most adequate "brake component" in the library. Moreover, following simple procedures, one can also establish an exclusive component library suitable for other cultivated environments, promoter systems, or bacterial strains.

  16. A rapid and convenient method for specific 11C-labelling of synthetic polypeptides containing methionine

    International Nuclear Information System (INIS)

    Laengstroem, B.; Sjoeberg, S.; Ragnarsson, U.

    1981-01-01

    11 C-labelling of methionine residues in a synthetic peptide via the preparation of the corresponding protected, pure homocysteine peptide has been investigated. Complete deprotection of the peptide and specific methylation of the homocysteine residue can be performed in one step in liquid ammonia. As a first application of this method the synthesis of the tripeptide, Z-Gly-L-Hcy(Bzl)-Gly-O-Bzl, and its conversion to Gly-Met-Gly and the corresponding labelled Gly-([ 11 C]-methyl)-Met-Gly, is reported. Starting with the protected peptide the labelling was performed in 20 +- 5 min (starting with 11 CO 2 ), yielding the labelled peptide in 92 +- 5 % radiochemical yield. Analyses and preparative LC can be performed within 6 min. (author)

  17. Local region power spectrum-based unfocused ship detection method in synthetic aperture radar images

    Science.gov (United States)

    Wei, Xiangfei; Wang, Xiaoqing; Chong, Jinsong

    2018-01-01

    Ships on synthetic aperture radar (SAR) images will be severely defocused and their energy will disperse into numerous resolution cells under long SAR integration time. Therefore, the image intensity of ships is weak and sometimes even overwhelmed by sea clutter on SAR image. Consequently, it is hard to detect the ships from SAR intensity images. A ship detection method based on local region power spectrum of SAR complex image is proposed. Although the energies of the ships are dispersed on SAR intensity images, their spectral energies are rather concentrated or will cause the power spectra of local areas of SAR images to deviate from that of sea surface background. Therefore, the key idea of the proposed method is to detect ships via the power spectra distortion of local areas of SAR images. The local region power spectrum of a moving target on SAR image is analyzed and the way to obtain the detection threshold through the probability density function (pdf) of the power spectrum is illustrated. Numerical P- and L-band airborne SAR ocean data are utilized and the detection results are also illustrated. Results show that the proposed method can well detect the unfocused ships, with a detection rate of 93.6% and a false-alarm rate of 8.6%. Moreover, by comparing with some other algorithms, it indicates that the proposed method performs better under long SAR integration time. Finally, the applicability of the proposed method and the way of parameters selection are also discussed.

  18. A modified sparse reconstruction method for three-dimensional synthetic aperture radar image

    Science.gov (United States)

    Zhang, Ziqiang; Ji, Kefeng; Song, Haibo; Zou, Huanxin

    2018-03-01

    There is an increasing interest in three-dimensional Synthetic Aperture Radar (3-D SAR) imaging from observed sparse scattering data. However, the existing 3-D sparse imaging method requires large computing times and storage capacity. In this paper, we propose a modified method for the sparse 3-D SAR imaging. The method processes the collection of noisy SAR measurements, usually collected over nonlinear flight paths, and outputs 3-D SAR imagery. Firstly, the 3-D sparse reconstruction problem is transformed into a series of 2-D slices reconstruction problem by range compression. Then the slices are reconstructed by the modified SL0 (smoothed l0 norm) reconstruction algorithm. The improved algorithm uses hyperbolic tangent function instead of the Gaussian function to approximate the l0 norm and uses the Newton direction instead of the steepest descent direction, which can speed up the convergence rate of the SL0 algorithm. Finally, numerical simulation results are given to demonstrate the effectiveness of the proposed algorithm. It is shown that our method, compared with existing 3-D sparse imaging method, performs better in reconstruction quality and the reconstruction time.

  19. Omics methods for probing the mode of action of natural and synthetic phytotoxins.

    Science.gov (United States)

    Duke, Stephen O; Bajsa, Joanna; Pan, Zhiqiang

    2013-02-01

    For a little over a decade, omics methods (transcriptomics, proteomics, metabolomics, and physionomics) have been used to discover and probe the mode of action of both synthetic and natural phytotoxins. For mode of action discovery, the strategy for each of these approaches is to generate an omics profile for phytotoxins with known molecular targets and to compare this library of responses to the responses of compounds with unknown modes of action. Using more than one omics approach enhances the probability of success. Generally, compounds with the same mode of action generate similar responses with a particular omics method. Stress and detoxification responses to phytotoxins can be much clearer than effects directly related to the target site. Clues to new modes of action must be validated with in vitro enzyme effects or genetic approaches. Thus far, the only new phytotoxin target site discovered with omics approaches (metabolomics and physionomics) is that of cinmethylin and structurally related 5-benzyloxymethyl-1,2-isoxazolines. These omics approaches pointed to tyrosine amino-transferase as the target, which was verified by enzyme assays and genetic methods. In addition to being a useful tool of mode of action discovery, omics methods provide detailed information on genetic and biochemical impacts of phytotoxins. Such information can be useful in understanding the full impact of natural phytotoxins in both agricultural and natural ecosystems.

  20. A modified synthetic driving force method for molecular dynamics simulation of grain boundary migration

    International Nuclear Information System (INIS)

    Yang, Liang; Li, Saiyi

    2015-01-01

    The synthetic driving force (SDF) molecular dynamics method, which imposes crystalline orientation-dependent driving forces for grain boundary (GB) migration, has been considered deficient in many cases. In this work, we revealed the cause of the deficiency and proposed a modified method by introducing a new technique to distinguish atoms in grains and GB such that the driving forces can be imposed properly. This technique utilizes cross-reference order parameter (CROP) to characterize local lattice orientations in a bicrystal and introduces a CROP-based definition of interface region to minimize interference from thermal fluctuations in distinguishing atoms. A validation of the modified method was conducted by applying it to simulate the migration behavior of Ni 〈1 0 0〉 and Al 〈1 1 2〉 symmetrical tilt GBs, in comparison with the original method. The discrepancies between the migration velocities predicted by the two methods are found to be proportional to their differences in distinguishing atoms. For the Al 〈1 1 2〉 GBs, the modified method predicts a negative misorientation dependency for both the driving pressure threshold for initiating GB movement and the mobility, which agree with experimental findings and other molecular dynamics computations but contradict those predicted using the original method. Last, the modified method was applied to evaluate the mobility of Ni Σ5 〈1 0 0〉 symmetrical tilt GB under different driving pressure and temperature conditions. The results reveal a strong driving pressure dependency of the mobility at relatively low temperatures and suggest that the driving pressure should be as low as possible but large enough to trigger continuous migration.

  1. Bismuth-ceramic nanocomposites through ball milling and liquid crystal synthetic methods

    Science.gov (United States)

    Dellinger, Timothy Michael

    Three methods were developed for the synthesis of bismuth-ceramic nanocomposites, which are of interest due to possible use as thermoelectric materials. In the first synthetic method, high energy ball milling of bismuth metal with either MgO or SiO2 was found to produce nanostructured bismuth dispersed on a ceramic material. The morphology of the resulting bismuth depended on its wetting behavior with respect to the ceramic: the metal wet the MgO, but did not wet on the SiO2. Differential Scanning Calorimetry measurements on these composites revealed unusual thermal stability, with nanostructure retained after multiple cycles of heating and cooling through the metal's melting point. The second synthesis methodology was based on the use of lyotropic liquid crystals. These mixtures of water and amphiphilic molecules self-assemble to form periodic structures with nanometer-scale hydrophilic and hydrophobic domains. A novel shear mixing methodology was developed for bringing together reactants which were added to the liquid crystals as dissolved salts. The liquid crystals served to mediate synthesis by acting as nanoreactors to confine chemical reactions within the nanoscale domains of the mesophase, and resulted in the production of nanoparticles. By synthesizing lead sulfide (PbS) and bismuth (Bi) particles as proof-of-concept, it was shown that nanoparticle size could be controlled by controlling the dimensionality of the nanoreactors through control of the liquid crystalline phase. Particle size was shown to decrease upon going from three-dimensionally percolating nanoreactors, to two dimensional sheet-like nanoreactors, to one dimensional rod-like nanoreactors. Additionally, particle size could be controlled by varying the precursor salt concentration. Since the nanoparticles did not agglomerate in the liquid crystal immediately after synthesis, bismuth-ceramic nanocomposites could be prepared by synthesizing Bi nanoparticles and mixing in SiO2 particles which

  2. MR-based synthetic CT generation using a deep convolutional neural network method.

    Science.gov (United States)

    Han, Xiao

    2017-04-01

    Interests have been rapidly growing in the field of radiotherapy to replace CT with magnetic resonance imaging (MRI), due to superior soft tissue contrast offered by MRI and the desire to reduce unnecessary radiation dose. MR-only radiotherapy also simplifies clinical workflow and avoids uncertainties in aligning MR with CT. Methods, however, are needed to derive CT-equivalent representations, often known as synthetic CT (sCT), from patient MR images for dose calculation and DRR-based patient positioning. Synthetic CT estimation is also important for PET attenuation correction in hybrid PET-MR systems. We propose in this work a novel deep convolutional neural network (DCNN) method for sCT generation and evaluate its performance on a set of brain tumor patient images. The proposed method builds upon recent developments of deep learning and convolutional neural networks in the computer vision literature. The proposed DCNN model has 27 convolutional layers interleaved with pooling and unpooling layers and 35 million free parameters, which can be trained to learn a direct end-to-end mapping from MR images to their corresponding CTs. Training such a large model on our limited data is made possible through the principle of transfer learning and by initializing model weights from a pretrained model. Eighteen brain tumor patients with both CT and T1-weighted MR images are used as experimental data and a sixfold cross-validation study is performed. Each sCT generated is compared against the real CT image of the same patient on a voxel-by-voxel basis. Comparison is also made with respect to an atlas-based approach that involves deformable atlas registration and patch-based atlas fusion. The proposed DCNN method produced a mean absolute error (MAE) below 85 HU for 13 of the 18 test subjects. The overall average MAE was 84.8 ± 17.3 HU for all subjects, which was found to be significantly better than the average MAE of 94.5 ± 17.8 HU for the atlas-based method. The DCNN

  3. Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

    Science.gov (United States)

    Flores-Conde, Maria Ines; Reyes, Leonor; Herrera, Rafael; Rios, Hulme; Vazquez, Miguel A.; Miranda, Rene; Tamariz, Joaquin; Delgado, Francisco

    2012-01-01

    Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17), under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO) calculations. PMID:22489113

  4. Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

    Directory of Open Access Journals (Sweden)

    Francisco Delgado

    2012-02-01

    Full Text Available Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17, under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO calculations.

  5. Sequential Dy(OTf)3 -Catalyzed Solvent-Free Per-O-Acetylation and Regioselective Anomeric De-O-Acetylation of Carbohydrates.

    Science.gov (United States)

    Yan, Yi-Ling; Guo, Jiun-Rung; Liang, Chien-Fu

    2017-09-19

    Dysprosium(III) trifluoromethanesulfonate-catalyzed per-O-acetylation and regioselective anomeric de-O-acetylation of carbohydrates can be tuned by adjusting the reaction medium. In this study, the per-O-acetylation of unprotected sugars by using a near-stoichiometric amount of acetic anhydride under solvent-free conditions resulted in the exclusive formation of acetylated saccharides as anomeric mixtures, whereas anomeric de-O-acetylation in methanol resulted in a moderate-to-excellent yield. Reactions with various unprotected monosaccharides or disaccharides followed by a semi-one-pot sequential conversion into the corresponding acetylated glycosyl hemiacetal also resulted in high yields. Furthermore, the obtained hemiacetals could be successfully transformed into trichloroimidates after Dy(OTf) 3 -catalyzed glycosylation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. High-sensitivity green resist material with organic solvent-free spin-coating and tetramethylammonium hydroxide-free water-developable processes for EB and EUV lithography

    Science.gov (United States)

    Takei, Satoshi; Hanabata, Makoto; Oshima, Akihiro; Kashiwakura, Miki; Kozawa, Takahiro; Tagawa, Seiichi

    2015-03-01

    We investigated the eco-friendly electron beam (EB) and extreme-ultraviolet (EUV) lithography using a high-sensitive negative type of green resist material derived from biomass to take advantage of organic solvent-free water spin-coating and tetramethylammonium hydroxide(TMAH)-free water-developable techniques. A water developable, non-chemically amplified, high sensitive, and negative tone resist material in EB lithography was developed for environmental affair, safety, easiness of handling, and health of the working people, instead of the common developable process of TMAH. The material design concept to use the water-soluble resist material with acceptable properties such as pillar patterns with less than 100 nm in high EB sensitivity of 10 μC/cm2 and etch selectivity with a silicon-based middle layer in CF4 plasma treatment was demonstrated for EB and EUV lithography.

  7. An Optimal DEM Reconstruction Method for Linear Array Synthetic Aperture Radar Based on Variational Model

    Directory of Open Access Journals (Sweden)

    Shi Jun

    2015-02-01

    Full Text Available Downward-looking Linear Array Synthetic Aperture Radar (LASAR has many potential applications in the topographic mapping, disaster monitoring and reconnaissance applications, especially in the mountainous area. However, limited by the sizes of platforms, its resolution in the linear array direction is always far lower than those in the range and azimuth directions. This disadvantage leads to the blurring of Three-Dimensional (3D images in the linear array direction, and restricts the application of LASAR. To date, the research on 3D SAR image enhancement has focused on the sparse recovery technique. In this case, the one-to-one mapping of Digital Elevation Model (DEM brakes down. To overcome this, an optimal DEM reconstruction method for LASAR based on the variational model is discussed in an effort to optimize the DEM and the associated scattering coefficient map, and to minimize the Mean Square Error (MSE. Using simulation experiments, it is found that the variational model is more suitable for DEM enhancement applications to all kinds of terrains compared with the Orthogonal Matching Pursuit (OMPand Least Absolute Shrinkage and Selection Operator (LASSO methods.

  8. Solvothermal and electrochemical synthetic method of HKUST-1 and its methane storage capacity

    Science.gov (United States)

    Wahyu Lestari, Witri; Adreane, Marisa; Purnawan, Candra; Fansuri, Hamzah; Widiastuti, Nurul; Budi Rahardjo, Sentot

    2016-02-01

    A comparison synthetic strategy of Metal-Organic Frameworks, namely, Hongkong University of Techhnology-1 {HKUST-1[Cu3(BTC)]2} (BTC = 1,3,5-benzene-tri-carboxylate) through solvothermal and electrochemical method in ethanol:water (1:1) has been conducted. The obtained material was analyzed using powder X-ray diffraction, Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), Thermo-Gravimetric Analysis (TGA) and Surface Area Analysis (SAA). While the voltage in the electrochemical method are varied, ranging from 12 to 15 Volt. The results show that at 15 V the texture of the material has the best degree of crystallinity and comparable with solvothermal product. This indicated from XRD data and supported by the SEM image to view the morphology. The thermal stability of the synthesized compounds is up to 320 °C. The shape of the nitrogen sorption isotherm of the compound corresponds to type I of the IUPAC adsorption isotherm classification for microporous materials with BET surface area of 629.2 and 324.3 m2/g (for solvothermal and electrochemical product respectively) and promising for gas storage application. Herein, the methane storage capacities of these compounds are also tested.

  9. Lithium-Acetate-Mediated Biginelli One-Pot Multicomponent Synthesis under Solvent-Free Conditions and Cytotoxic Activity against the Human Lung Cancer Cell Line A549 and Breast Cancer Cell Line MCF7

    Directory of Open Access Journals (Sweden)

    Harshita Sachdeva

    2012-01-01

    Full Text Available Various Biginelli compounds (dihydropyrimidinones have been synthesized efficiently and in high yields under mild, solvent-free, and eco-friendly conditions in a one-pot reaction of 1,3-dicarbonyl compounds, aldehydes, and urea/thiourea/acetyl thiourea using lithium-acetate as a novel catalyst without the addition of any proton source. Comparative catalytic efficiency of lithium-acetate and polyphosphoric acid to catalyze Biginelli condensation is also studied under neat conditions. The reaction is carried out in the absence of any solvent and represents an improvement of the classical Biginelli protocol and an advantage in comparison with FeCl3·6H2O, NiCl2·6H2O and CoCl2·6H2O that were used with HCl as a cocatalyst. Compared to classical Biginelli reaction conditions, the present method has advantages of good yields, short reaction times, and experimental simplicity. The obtained products have been identified by spectral (1H NMR and IR data and their melting points. The prepared compounds are evaluated for anticancer activity against two human cancer cell lines (lung cancer cell line A549 and breast cancer cell line MCF7.

  10. Improving lung cancer prognosis assessment by incorporating synthetic minority oversampling technique and score fusion method

    International Nuclear Information System (INIS)

    Yan, Shiju; Qian, Wei; Guan, Yubao; Zheng, Bin

    2016-01-01

    Purpose: This study aims to investigate the potential to improve lung cancer recurrence risk prediction performance for stage I NSCLS patients by integrating oversampling, feature selection, and score fusion techniques and develop an optimal prediction model. Methods: A dataset involving 94 early stage lung cancer patients was retrospectively assembled, which includes CT images, nine clinical and biological (CB) markers, and outcome of 3-yr disease-free survival (DFS) after surgery. Among the 94 patients, 74 remained DFS and 20 had cancer recurrence. Applying a computer-aided detection scheme, tumors were segmented from the CT images and 35 quantitative image (QI) features were initially computed. Two normalized Gaussian radial basis function network (RBFN) based classifiers were built based on QI features and CB markers separately. To improve prediction performance, the authors applied a synthetic minority oversampling technique (SMOTE) and a BestFirst based feature selection method to optimize the classifiers and also tested fusion methods to combine QI and CB based prediction results. Results: Using a leave-one-case-out cross-validation (K-fold cross-validation) method, the computed areas under a receiver operating characteristic curve (AUCs) were 0.716 ± 0.071 and 0.642 ± 0.061, when using the QI and CB based classifiers, respectively. By fusion of the scores generated by the two classifiers, AUC significantly increased to 0.859 ± 0.052 (p < 0.05) with an overall prediction accuracy of 89.4%. Conclusions: This study demonstrated the feasibility of improving prediction performance by integrating SMOTE, feature selection, and score fusion techniques. Combining QI features and CB markers and performing SMOTE prior to feature selection in classifier training enabled RBFN based classifier to yield improved prediction accuracy.

  11. Improving lung cancer prognosis assessment by incorporating synthetic minority oversampling technique and score fusion method

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Shiju [School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China and School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States); Qian, Wei [Department of Electrical and Computer Engineering, University of Texas, El Paso, Texas 79968 and Sino-Dutch Biomedical and Information Engineering School, Northeastern University, Shenyang 110819 (China); Guan, Yubao [Department of Radiology, Guangzhou Medical University, Guangzhou 510182 (China); Zheng, Bin, E-mail: Bin.Zheng-1@ou.edu [School of Electrical and Computer Engineering, University of Oklahoma, Norman, Oklahoma 73019 (United States)

    2016-06-15

    Purpose: This study aims to investigate the potential to improve lung cancer recurrence risk prediction performance for stage I NSCLS patients by integrating oversampling, feature selection, and score fusion techniques and develop an optimal prediction model. Methods: A dataset involving 94 early stage lung cancer patients was retrospectively assembled, which includes CT images, nine clinical and biological (CB) markers, and outcome of 3-yr disease-free survival (DFS) after surgery. Among the 94 patients, 74 remained DFS and 20 had cancer recurrence. Applying a computer-aided detection scheme, tumors were segmented from the CT images and 35 quantitative image (QI) features were initially computed. Two normalized Gaussian radial basis function network (RBFN) based classifiers were built based on QI features and CB markers separately. To improve prediction performance, the authors applied a synthetic minority oversampling technique (SMOTE) and a BestFirst based feature selection method to optimize the classifiers and also tested fusion methods to combine QI and CB based prediction results. Results: Using a leave-one-case-out cross-validation (K-fold cross-validation) method, the computed areas under a receiver operating characteristic curve (AUCs) were 0.716 ± 0.071 and 0.642 ± 0.061, when using the QI and CB based classifiers, respectively. By fusion of the scores generated by the two classifiers, AUC significantly increased to 0.859 ± 0.052 (p < 0.05) with an overall prediction accuracy of 89.4%. Conclusions: This study demonstrated the feasibility of improving prediction performance by integrating SMOTE, feature selection, and score fusion techniques. Combining QI features and CB markers and performing SMOTE prior to feature selection in classifier training enabled RBFN based classifier to yield improved prediction accuracy.

  12. Rapid method for quantification of seven synthetic pigments in colored Chinese steamed buns using UFLC-MS/MS without SPE.

    Science.gov (United States)

    Gao, He-Gang; Gong, Wen-Jie; Zhao, Yong-Gang

    2015-01-01

    Synthetic pigments are still used instead of natural pigments in many foods and their residues in food could be an important risk to human health. A simple and rapid analytical method combining the low-cost extraction protocol with ultra-fast liquid chromatography-tandem quadrupole mass spectrometry (UFLC-MS/MS) was developed for the simultaneous determination of seven synthetic pigments used in colored Chinese steamed buns. For the first time, ethanol/ammonia solution/water (7:2:1, v/v/v) was used as extraction solution for the synthetic pigments in colored Chinese steamed buns. The results showed that the property of the extraction solution used in this method was more effective than critic acid solution, which is used in the polyamide adsorption method. The limits of quantification for the seven synthetic pigments ranged from 0.15 to 0.50 μg/kg. The present method was successfully applied to samples of colored Chinese steamed buns for food-safety risk monitoring in Zhejiang Province, China. The results found sunset yellow pigment in six out of 300 colored Chinese steamed buns (from 0.50 to 32.6 μg/kg).

  13. Novel methods for evaluation of the Reynolds number of synthetic jets

    Czech Academy of Sciences Publication Activity Database

    Kordík, Jozef; Broučková, Zuzana; Vít, T.; Pavelka, Miroslav; Trávníček, Zdeněk

    2014-01-01

    Roč. 55, č. 6 (2014), 1757_1-1757_16 ISSN 0723-4864 R&D Projects: GA ČR GPP101/12/P556 Institutional support: RVO:61388998 Keywords : synthetic jet * synthetic jet actuator * Reynolds number Subject RIV: BK - Fluid Dynamics Impact factor: 1.670, year: 2014 http://link.springer.com/article/10.1007%2Fs00348-014-1757-x

  14. TU-AB-BRA-02: An Efficient Atlas-Based Synthetic CT Generation Method

    International Nuclear Information System (INIS)

    Han, X

    2016-01-01

    Purpose: A major obstacle for MR-only radiotherapy is the need to generate an accurate synthetic CT (sCT) from MR image(s) of a patient for the purposes of dose calculation and DRR generation. We propose here an accurate and efficient atlas-based sCT generation method, which has a computation speed largely independent of the number of atlases used. Methods: Atlas-based sCT generation requires a set of atlases with co-registered CT and MR images. Unlike existing methods that align each atlas to the new patient independently, we first create an average atlas and pre-align every atlas to the average atlas space. When a new patient arrives, we compute only one deformable image registration to align the patient MR image to the average atlas, which indirectly aligns the patient to all pre-aligned atlases. A patch-based non-local weighted fusion is performed in the average atlas space to generate the sCT for the patient, which is then warped back to the original patient space. We further adapt a PatchMatch algorithm that can quickly find top matches between patches of the patient image and all atlas images, which makes the patch fusion step also independent of the number of atlases used. Results: Nineteen brain tumour patients with both CT and T1-weighted MR images are used as testing data and a leave-one-out validation is performed. Each sCT generated is compared against the original CT image of the same patient on a voxel-by-voxel basis. The proposed method produces a mean absolute error (MAE) of 98.6±26.9 HU overall. The accuracy is comparable with a conventional implementation scheme, but the computation time is reduced from over an hour to four minutes. Conclusion: An average atlas space patch fusion approach can produce highly accurate sCT estimations very efficiently. Further validation on dose computation accuracy and using a larger patient cohort is warranted. The author is a full time employee of Elekta, Inc.

  15. A systematic examination of colour development in synthetic ultramarine according to historical methods.

    Directory of Open Access Journals (Sweden)

    Ian Hamerton

    Full Text Available A number of historical texts are investigated to ascertain the optimum conditions for the preparation of synthetic ultramarine, using preparative methods that would have been available to alchemists and colour chemists of the nineteenth century. The effect of varying the proportion of sulphur in the starting material on the colour of the final product is investigated. The optimum preparation involves heating a homogenised, pelletised mixture of kaolin (100 parts, sodium carbonate (100 parts, bitumen emulsion (or any 'sticky' carbon source (12 parts and sulphur (60 parts at 750°C for ca. 4 hours. At this stage the ingress of air should be limited. The sample is allowed to cool in the furnace to 500°C, the ingress of air is permitted and additional sulphur (30 parts is introduced before a second calcination step is undertaken at 500°C for two hours. The products obtained from the optimum synthesis have CIE ranges of x  = 0.2945-0.3125, y  = 0.2219-0.2617, Y  = 0.4257-0.4836, L* = 3.8455-4.3682, a*  = 4.2763-7.6943, b* = -7.6772-(-3.3033, L  = 3.8455-4.3682, C = 5.3964-10.8693, h = 315.0636-322.2562. The values are calculated using UV/visible near infrared spectra using Lazurite [1], under D65 illumination, and the 1931 2° observer.

  16. A simple method for the determination of synthetic spirit in some alcoholic beverages

    International Nuclear Information System (INIS)

    Majerova, P.; Fiser, B.; Leseticky, L.

    2002-01-01

    Measurement of carbon C-14 can be used to distinguish between natural and synthetic alcohol. Natural ethanol produced by fermentation of sugar contains approximately 16.13 DPM (0,27 Bq) per gram of carbon, synthetic ethanol should contain no carbon-14. Natural C-14 content can be determined precisely and conveniently by liquid scintillation counting. Various scintillation cocktails were tested and the best results were achieved with PCS. The optimum measurement conditions were also identified. Samples of spirits were fractionated on a short distillation column and the resulting 96% ethanol was measured. For comparison was distilled and measured A 35% aqueous solution of natural ethanol was also distilled and measured for a comparison. The natural-to-synthetic ethanol ratio was obtained for a series of commercial spirits. (P.A.)

  17. Synthetic Methods for Ester Bond Formation and Conformational Analysis of Ester-Containing Carbohydrates

    Science.gov (United States)

    Hackbusch, Sven

    This dissertation encompasses work related to synthetic methods for the formation of ester linkages in organic compounds, as well as the investigation of the conformational influence of the ester functional group on the flexibility of inter-saccharide linkages, specifically, and the solution phase structure of ester-containing carbohydrate derivatives, in general. Stereoselective reactions are an important part of the field of asymmetric synthesis and an understanding of their underlying mechanistic principles is essential for rational method development. Here, the exploration of a diastereoselective O-acylation reaction on a trans-2-substituted cyclohexanol scaffold is presented, along with possible reasons for the observed reversal of stereoselectivity dependent on the presence or absence of an achiral amine catalyst. In particular, this work establishes a structure-activity relationship with regard to the trans-2-substituent and its role as a chiral auxiliary in the reversal of diastereoselectivity. In the second part, the synthesis of various ester-linked carbohydrate derivatives, and their conformational analysis is presented. Using multidimensional NMR experiments and computational methods, the compounds' solution-phase structures were established and the effect of the ester functional group on the molecules' flexibility and three-dimensional (3D) structure was investigated and compared to ether or glycosidic linkages. To aid in this, a novel Karplus equation for the C(sp2)OCH angle in ester-linked carbohydrates was developed on the basis of a model ester-linked carbohydrate. This equation describes the sinusoidal relationship between the C(sp2)OCH dihedral angle and the corresponding 3JCH coupling constant that can be determined from a J-HMBC NMR experiment. The insights from this research will be useful in describing the 3D structure of naturally occurring and lab-made ester-linked derivatives of carbohydrates, as well as guiding the de novo-design of

  18. Piper-betle-shaped nano-S-catalyzed synthesis of 1-amidoalkyl-2-naphthols under solvent-free reaction condition: a greener "nanoparticle-catalyzed organic synthesis enhancement" approach.

    Science.gov (United States)

    Das, Vijay K; Borah, Madhurjya; Thakur, Ashim J

    2013-04-05

    Nano-S prepared by an annealing process showed excellent catalytic activity for the synthesis of 1-amidoalkyl-2-naphthols under solvent-free reaction condition at 50 °C. The catalyst could be reused up to the fifth cycle without loss in its action. The green-ness of the present protocol was also measured using green metrics drawing its superiority.

  19. Solvent-free and room temperature synthesis of 3-arylquinolines from different anilines and styrene oxide in the presence of Al2O3/MeSO3H

    Directory of Open Access Journals (Sweden)

    Hashem Sharghi

    2017-09-01

    Full Text Available A highly efficient, simple and environmentally friendly synthesis of 3-arylquinolines has been developed in the presence of Al2O3/MeSO3H via one-pot reaction of anilines and styrene oxide. This methodology provides very rapid access to 3-arylquinolines in good to excellent yields under solvent-free conditions at room temperature in air.

  20. New Approaches in Modeling Multiphase Flows and Dispersion in Turbulence, Fractal Methods and Synthetic Turbulence

    CERN Document Server

    Nicolleau, FCGA; Redondo, J-M

    2012-01-01

    This book contains a collection of the main contributions from the first five workshops held by Ercoftac Special Interest Group on Synthetic Turbulence Models (SIG42. It is intended as an illustration of the sig's activities and of the latest developments in the field. This volume investigates the use of Kinematic Simulation (KS) and other synthetic turbulence models for the particular application to environmental flows. This volume offers the best syntheses on the research status in KS, which is widely used in various domains, including Lagrangian aspects in turbulence mixing/stirring, partic

  1. Organic solvent-free air-assisted liquid-liquid microextraction for optimized extraction of illegal azo-based dyes and their main metabolite from spices, cosmetics and human bio-fluid samples in one step.

    Science.gov (United States)

    Barfi, Behruz; Asghari, Alireza; Rajabi, Maryam; Sabzalian, Sedigheh

    2015-08-15

    Air-assisted liquid-liquid microextraction (AALLME) has unique capabilities to develop as an organic solvent-free and one-step microextraction method, applying ionic-liquids as extraction solvent and avoiding centrifugation step. Herein, a novel and simple eco-friendly method, termed one-step air-assisted liquid-liquid microextraction (OS-AALLME), was developed to extract some illegal azo-based dyes (including Sudan I to IV, and Orange G) from food and cosmetic products. A series of experiments were investigated to achieve the most favorable conditions (including extraction solvent: 77μL of 1-Hexyl-3-methylimidazolium hexafluorophosphate; sample pH 6.3, without salt addition; and extraction cycles: 25 during 100s of sonication) using a central composite design strategy. Under these conditions, limits of detection, linear dynamic ranges, enrichment factors and consumptive indices were in the range of 3.9-84.8ngmL(-1), 0.013-3.1μgmL(-1), 33-39, and 0.13-0.15, respectively. The results showed that -as well as its simplicity, fastness, and use of no hazardous disperser and extraction solvents- OS-AALLME is an enough sensitive and efficient method for the extraction of these dyes from complex matrices. After optimization and validation, OS-AALLME was applied to estimate the concentration of 1-amino-2-naphthol in human bio-fluids as a main reductive metabolite of selected dyes. Levels of 1-amino-2-naphthol in plasma and urinary excretion suggested that this compound may be used as a new potential biomarker of these dyes in human body. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Development and design of nanomaterial reagents in conjunction with new methods for their synthetic applications

    Science.gov (United States)

    Kwaramba, Farai Brian

    This Ph.D. deals with the integration of nanotechnology with organometallic/ organic synthetic technologies. The first part of this research sought to develop a library of novel molecular gears programmed to exploit photo-switching and electrostatic repulsion to control the molecular rotation of covalently linked triptypyrazines. Incorporation of these two modes allows for control of triptycene based gear systems using unexplored external methods. The triptypyrazine was an attractive scaffold because of its intrinsic pH and electrochemical activity, thus providing a novel construct for controlling molecular motion. This design finds relevance in the fabrication of nano-electromechanical devices and understanding controlled molecular motion. This Ph.D. also sought to address the need to generate and recycle low cost hydrosilylation catalysts. Metal nanoparticle catalysts can potentially meet this need due to their high surface area and reactivity. Their morphology and surface texture provide avenues for selectivity in reactions. Metal-nanoparticles on a silicon matrix can be formed by reducing metal salts with silicon hydrides. Investigations towards iron-nanoparticle catalyzed hydrosilylation of unsaturated bonds were conducted. Furthermore, this research sought to develop highly functionalized silanes, as guiding scaffolds for generating chiral silicon hydrides. Fabrication of metal-nanoparticle catalysts with the same, could install surface definition on these heterogeneous green catalysts, thus allowing selectivity in their catalysis. A bottom up approach to nanofabrication, started with the generation of a library of highly functionalized alkynyl-silane building blocks using the hydrosilylation reaction. Hydrosilylation of carbon-carbon and carbon-heteroatom unsaturated bonds has proven to be an important reaction in organic syntheses. Additionally, silicon tethers have been utilized in complex organic syntheses as a way to increase reaction rates, and

  3. Chemical and Physical Analysis Methods for Characterizing Tire Crumb Rubber Used in Synthetic Turf Fields

    Science.gov (United States)

    Tire crumb rubber from recycled tires is widely used as infill material in synthetic turf fields in the United States. Recycled crumb rubber is a complex and potentially variable matrix with many metal, VOC, and SVOC constituents, presenting challenges for characterization and ex...

  4. Novel Solvent-free Perovskite Deposition in Fabrication of Normal and Inverted Architectures of Perovskite Solar Cells

    Science.gov (United States)

    Nejand, Bahram Abdollahi; Gharibzadeh, Saba; Ahmadi, Vahid; Shahverdi, H. Reza

    2016-01-01

    We introduced a new approach to deposit perovskite layer with no need for dissolving perovskite precursors. Deposition of Solution-free perovskite (SFP) layer is a key method for deposition of perovskite layer on the hole or electron transport layers that are strongly sensitive to perovskite precursors. Using deposition of SFP layer in the perovskite solar cells would extend possibility of using many electron and hole transport materials in both normal and invert architectures of perovskite solar cells. In the present work, we synthesized crystalline perovskite powder followed by successful deposition on TiO2 and cuprous iodide as the non-sensitve and sensitive charge transport layers to PbI2 and CH3NH3I solution in DMF. The post compressing step enhanced the efficiency of the devices by increasing the interface area between perovskite and charge transport layers. The 9.07% and 7.71% cell efficiencies of the device prepared by SFP layer was achieved in respective normal (using TiO2 as a deposition substrate) and inverted structure (using CuI as deposition substrate) of perovskite solar cell. This method can be efficient in large-scale and low cost fabrication of new generation perovskite solar cells. PMID:27640991

  5. Solvent-free functionalization of silicone rubber and efficacy of PAAm brushes grafted from an amino-PPX layer against bacterial adhesion.

    Science.gov (United States)

    Fundeanu, Irina; Klee, Doris; Schouten, Arend J; Busscher, Henk J; van der Mei, Henny C

    2010-11-01

    Silicone rubber is a frequently employed biomaterial that is prone to bacterial adhesion and biofilm formation. In this study, the surface of silicone rubber was solvent-free functionalized by chemical vapor deposition (CVD) of poly(o-amino-p-xylylene-co-p-xylylene (amino-PPX). Subsequently, the amino groups of the amino-PPX layer were used to introduce the initiator from a vapor phase for atom transfer radical polymerization of acrylamide to form polyacrylamide (PAAm) brushes. The modification steps were verified by means of X-ray photoelectron spectroscopy and attenuated total reflection-Fourier transform infrared spectroscopy. Adhesion of Staphylococcus aureus ATCC 12600 and Escherichia coli 3.14 to an amino-PPX-PAAm brush coating in a parallel plate flow chamber was strongly reduced with respect to non-coated silicone rubber - by 93% and 99%, respectively. For E. coli 3.14, this reduction is larger than that obtained for solvent functionalization of γ-aminopropyltriethoxysilane-PAAm brushes due to the higher density of amino groups introduced by the CVD of amino-PPX. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  6. Performance of an enzymatic packed bed reactor running on babassu oil to yield fatty ethyl esters (FAEE in a solvent-free system

    Directory of Open Access Journals (Sweden)

    Aline Simões

    2015-06-01

    Full Text Available The transesterification reaction of babassu oil with ethanol mediated by Burkholderia cepacia lipase immobilized on SiO2-PVA composite was assessed in a packed bed reactor running in the continuous mode. Experiments were performed in a solvent-free system at 50 °C. The performance of the reactor (14 mm ×210 mm was evaluated using babassu oil and ethanol at two molar ratios of 1:7 and 1:12, respectively, and operational limits in terms of substrate flow rate were determined. The system’s performance was quantified for different flow rates corresponding to space times between 7 and 13 h. Under each condition, the impact of the space time on the ethyl esters formation, the transesterification yield and productivity were determined. The oil to ethanol molar ratio was found as a critical parameter in the conversion of babassu oil into the correspondent ethyl esters. The highest transesterification yield of 96.0 ± 0.9% and productivity of 41.1 ± 1.6 mgester gcatalyst-1h-1 were achieved at the oil to ethanol molar ratio of 1:12 and for space times equal or higher than 11 h. Moreover, the immobilized lipase was found stable with respect to its catalytic characteristics, exhibiting a half-life of 32 d.

  7. Molecular interactions and redox effects of carvacrol and thymol on myofibrillar proteins using a non-destructive and solvent-free methodological approach.

    Science.gov (United States)

    Lahmar, Aida; Akcan, Tolga; Chekir-Ghedira, Leila; Estévez, Mario

    2018-04-01

    The present study provides molecular insight into the effect of thymol and carvacrol on the oxidative damage caused to myofibrillar proteins by a hydroxyl-radical generating system (HRGS). An innovative model system was designed, in which gels, prepared with increasing levels of myofibrillar proteins, were oxidized by a HRGS (Fe 3+ /H 2 O 2 , 60 °C and 7 days) in the presence of lipids. The molecular affinity between myofibrillar proteins and both terpenes, as well as their effect on the oxidative stability of the gel systems, were studied using a non-destructive and solvent-free procedure based on fluorescence spectroscopy. Carvacrol displayed more affinity than thymol for establishing chemical interactions with protein residues. Both terpenes exhibited a significant antioxidant potential against the generation of lipid-derived volatile carbonyls and against the formation of protein crosslinking. This procedure may be applied to meat products to assess the effectiveness of a given antioxidant additive without size reduction or sample processing. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. Magnetic amine-functionalized graphene oxide as a novel and recyclable bifunctional nanocatalyst for solvent-free synthesis of pyrano[3,2-c]pyridine derivatives

    Directory of Open Access Journals (Sweden)

    Shahnaz Rostamizadeh

    2017-01-01

    Full Text Available The new magnetic amine-functionalized graphene oxide (Fe3O4-GO-NH2 nanocatalyst was prepared through the reaction of 3-aminopropyltriethoxysilane (APTES with magnetic graphene oxide (Fe3O4-GO. It was characterized by XRD, TEM, SEM, FT-IR and EDX techniques. The intrinsic carboxylic acids on the edges of Fe3O4-GO along with the amine groups post grafted to the surface of Fe3O4-GO led to preparation of an acid-base bifunctional magnetically recyclable nanocatalyst. It proved to be efficient nanocatalyst for solvent-free synthesis of pyrano[3,2-c]pyridine derivatives under mild reaction conditions with good to excellent yields. This heterogeneous catalyst also exhibited higher activities than acid or base functionalized mesoporous silica, magnetic GO or basic Al2O3 an even higher than some basic homogeneous catalysts such as triethylamine and piperazine. More importantly, due to the loaded iron oxide nanoparticles, this catalyst could be easily recovered from the reaction mixture using an external magnet and reused without significant decrease in activity even after 7 runs.

  9. Optimization of the production of biodiesel by a commercial immobilized lipase in a solvent-free system using a response surface methodology

    Directory of Open Access Journals (Sweden)

    ZORICA KNEZEVIC

    2008-02-01

    Full Text Available Response surface methodology was used for the evaluation of the effects of various factors on the synthesis of biodiesel catalyzed with immobilized lipase from Rhizomucor miehei in a solvent-free system. The production of biodiesel was optimized and model response equations were obtained, enabling the prediction of biodiesel production from the values of the four main factors. It would seem that the reaction temperature and the amount of water predominantly determined the conversion process while the methanol/oil molar ratio had no significant influence on the reaction rate. The temperature and amount of water showed negative interactive effects on the observed reaction rate per amount of enzyme. However, there were no significant interactions among the other variables according to the test of statistical significance. The highest yield of 10.15 mol kg-1 enzyme was observed at 45 °C with a 6:1 methanol to oil molar ratio and with no added water in the system.

  10. Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

    International Nuclear Information System (INIS)

    Lazzerini, Giovanni Mattia; Yacoot, Andrew; Paternò, Giuseppe Maria; Tregnago, Giulia; Cacialli, Franco; Treat, Neil; Stingelin, Natalie

    2016-01-01

    We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of “molecular terraces” whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction

  11. Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

    Science.gov (United States)

    Lazzerini, Giovanni Mattia; Paternò, Giuseppe Maria; Tregnago, Giulia; Treat, Neil; Stingelin, Natalie; Yacoot, Andrew; Cacialli, Franco

    2016-02-01

    We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of "molecular terraces" whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction.

  12. Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C{sub 61}-butyric acid methyl ester

    Energy Technology Data Exchange (ETDEWEB)

    Lazzerini, Giovanni Mattia; Yacoot, Andrew [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Paternò, Giuseppe Maria; Tregnago, Giulia; Cacialli, Franco [Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT (United Kingdom); Treat, Neil; Stingelin, Natalie [Department of Materials Science, Imperial College London, London SW7 2AZ (United Kingdom)

    2016-02-01

    We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of “molecular terraces” whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction.

  13. Solvent-free covalent functionalization of multi-walled carbon nanotubes and nanodiamond with diamines: Looking for cross-linking effects

    International Nuclear Information System (INIS)

    Basiuk, Elena V.; Basiuk, Vladimir A.; Meza-Laguna, Víctor; Contreras-Torres, Flavio F.; Martínez, Melchor; Rojas-Aguilar, Aarón; Salerno, Marco

    2012-01-01

    Highlights: ► Diamines were used for one-step functionalization of nanotubes and nanodiamond. ► We found experimental evidences of cross-linking effects in these nanomaterials. ► We found a strong orientation effect in the functionalized carbon nanotubes. - Abstract: The covalent functionalization of carbon nanomaterials with diamines is a way to enhance the mechanical strength of nanocomposites due to cross-linking effects, to form complex networks for nanotube-based electronic circuits, as well as is important for a number of biomedical applications. The main goal of the present work was to covalently functionalize pristine multi-walled carbon nanotubes and nanodiamond with three aliphatic diamines (1,8-diaminooctane, 1,10-diaminodecane and 1,12-diaminododecane) and one aromatic diamine (1,5-diaminonaphthalene), by employing a simple one-step solvent-free methodology, which is based on thermal instead of chemical activation. We looked for experimental evidences of cross-linking effects in the carbon nanomaterials synthesized by using solubility/dispersibility tests, atomic force microscopy, scanning and transmission electron microscopy, as well as Fourier-transform infrared spectroscopy and thermogravimetric analysis for additional characterization.

  14. Solvent-free sample preparation by headspace solid-phase microextraction applied to the tracing of n-butyl nitrite abuse.

    Science.gov (United States)

    Tytgat, J; Daenens, P

    1996-01-01

    The most common alkyl nitrites encountered in forensic toxicology are iso-butyl, n-butyl and iso-pentyl(amyl) nitrites. All have become popular as an aphrodisiac, especially among the homosexual population. Alkyl nitrites are a volatile and unstable group of compounds, which hydrolyse in aqueous matrices to the alcohol and nitrite ion. Here we describe a fast, clean and sensitive procedure for the detection of hydrolysed n-butyl nitrite in whole human blood using a new, solvent-free sampling technique, the headspace solid-phase micro-extraction (HSPME), combined with GC/FID analysis. Sample preparation was investigated using two different stationary phases (100 microns polydimethylsiloxane and 85 microns polyacrylate), coating a fused silica fibre. The effect of different sampling times at fixed temperatures was also studied. Our results demonstrate that the HSPME/GC/FID procedure allows tracing of n-butyl nitrite abuse and detects hydrolysed n-butyl nitrite, i.e., released n-butanol, in whole blood at the 1 ng/mL level.

  15. Solvent-free microwave-assisted synthesis of novel pyrazolo[4′,3′:5,6]pyrido[2,3-d]pyrimidines with potential antifungal activity

    Directory of Open Access Journals (Sweden)

    Paola Acosta

    2016-05-01

    Full Text Available Novel fused pyrazolo[4′,3′:5,6]pyrido[2,3-d]pyrimidines 5 were prepared by a solvent-free microwave assisted reaction of heterocyclic o-aminonitriles 3 and cyanopyridines 4 in the presence of tBuOK as catalyst. This protocol provides a versatile procedure for the synthesis of the title compounds with the advantages of easy work-up, mild reaction conditions and good yields. All compounds were also tested for antifungal properties against two clinically important fungi; Candida albicans and Cryptococcus neoformans. Several compounds showed moderate activity against both fungi, being 5a the most active compound. Analysis of the antifungal behavior of properly grouped compounds allowed to determine that the position of the N in the pyrimidyl moiety per se does not play a role in the activity. In turn, the type of 4-R substituent appears to influence the activity. In addition to the above considerations, the lipophilicity of compounds measured as logP showed to be not related to the activity and regarding the dipole moment (D, no net correlation was observed, although it is the most active compounds (% inhibition >50% that have a D ⩾ 7.5, mainly against C. albicans.

  16. Sustained Release of Lidocaine from Solvent-Free Biodegradable Poly[(d,l)-Lactide-co-Glycolide] (PLGA): In Vitro and In Vivo Study.

    Science.gov (United States)

    Kau, Yi-Chuan; Liao, Chia-Chih; Chen, Ying-Chi; Liu, Shih-Jung

    2014-09-16

    Local anesthetics are commonly used for pain relief by regional nerve blocking. In this study, we fabricated solvent-free biodegradable pellets to extend the duration of lidocaine release without any significant local or systemic toxicity levels. To manufacture the pellets, poly[(d,l)-lactide-co-glycolide] (PLGA) was first pre-mixed with lidocaine powder into different ratios. The powder mixture was then compressed with a mold (diameter of 1, 5, 8 or 10 mm) and sintered at 65 °C to form pellets. The in vitro release study showed that the lidocaine/PLGA pellets exhibited a tri-phase release behavior (a burst, a diffusion-controlled release and a degradation-dominated release) and reached completion around day 28. Scanning electron microscope (SEM) photos show that small channels could be found on the surfaces of the pellets on day 2. Furthermore, the polymer matrix swelled and fell apart on day 7, while the pellets became viscous after 10 days of in vitro elution. Perineural administration of the lidocaine/PLGA pellets produced anti-hypersensitivity effects lasting for at least 24 h in rats, significant when compared to the control group (a pure PLGA was pellet administered). In addition, no inflammation was detected within the nerve and in the neighboring muscle by histopathology.

  17. Sustained Release of Lidocaine from Solvent-Free Biodegradable Poly[(d,l-Lactide-co-Glycolide] (PLGA: In Vitro and In Vivo Study

    Directory of Open Access Journals (Sweden)

    Yi-Chuan Kau

    2014-09-01

    Full Text Available Local anesthetics are commonly used for pain relief by regional nerve blocking. In this study, we fabricated solvent-free biodegradable pellets to extend the duration of lidocaine release without any significant local or systemic toxicity levels. To manufacture the pellets, poly[(d,l-lactide-co-glycolide] (PLGA was first pre-mixed with lidocaine powder into different ratios. The powder mixture was then compressed with a mold (diameter of 1, 5, 8 or 10 mm and sintered at 65 °C to form pellets. The in vitro release study showed that the lidocaine/PLGA pellets exhibited a tri-phase release behavior (a burst, a diffusion-controlled release and a degradation-dominated release and reached completion around day 28. Scanning electron microscope (SEM photos show that small channels could be found on the surfaces of the pellets on day 2. Furthermore, the polymer matrix swelled and fell apart on day 7, while the pellets became viscous after 10 days of in vitro elution. Perineural administration of the lidocaine/PLGA pellets produced anti-hypersensitivity effects lasting for at least 24 h in rats, significant when compared to the control group (a pure PLGA was pellet administered. In addition, no inflammation was detected within the nerve and in the neighboring muscle by histopathology.

  18. Solvent-free covalent functionalization of multi-walled carbon nanotubes and nanodiamond with diamines: Looking for cross-linking effects

    Energy Technology Data Exchange (ETDEWEB)

    Basiuk, Elena V., E-mail: elenagd@unam.mx [Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico); Nanophysics Department, Italian Institute of Technology, via Morego 30, 16163 Genova, Liguria (Italy); Basiuk, Vladimir A. [Nanophysics Department, Italian Institute of Technology, via Morego 30, 16163 Genova, Liguria (Italy); Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico); Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, 62209 Cuernavaca, Morelos (Mexico); Meza-Laguna, Victor; Contreras-Torres, Flavio F.; Martinez, Melchor [Centro de Ciencias Aplicadas y Desarrollo Tecnologico, Universidad Nacional Autonoma de Mexico, Circuito Exterior, Ciudad Universitaria, 04510 Mexico, D.F. (Mexico); Rojas-Aguilar, Aaron [Centro de Investigacion y de Estudios Avanzados, Instituto Politecnico Nacional, Av. Instituto Politecnico Nacional 2508, Col. San Pedro Zacatenco, 07360 Mexico, D.F. (Mexico); Salerno, Marco [Nanophysics Department, Italian Institute of Technology, via Morego 30, 16163 Genova, Liguria (Italy); and others

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Diamines were used for one-step functionalization of nanotubes and nanodiamond. Black-Right-Pointing-Pointer We found experimental evidences of cross-linking effects in these nanomaterials. Black-Right-Pointing-Pointer We found a strong orientation effect in the functionalized carbon nanotubes. - Abstract: The covalent functionalization of carbon nanomaterials with diamines is a way to enhance the mechanical strength of nanocomposites due to cross-linking effects, to form complex networks for nanotube-based electronic circuits, as well as is important for a number of biomedical applications. The main goal of the present work was to covalently functionalize pristine multi-walled carbon nanotubes and nanodiamond with three aliphatic diamines (1,8-diaminooctane, 1,10-diaminodecane and 1,12-diaminododecane) and one aromatic diamine (1,5-diaminonaphthalene), by employing a simple one-step solvent-free methodology, which is based on thermal instead of chemical activation. We looked for experimental evidences of cross-linking effects in the carbon nanomaterials synthesized by using solubility/dispersibility tests, atomic force microscopy, scanning and transmission electron microscopy, as well as Fourier-transform infrared spectroscopy and thermogravimetric analysis for additional characterization.

  19. Immobilization of Pseudomonas fluorescens lipase on hydrophobic supports and application in biodiesel synthesis by transesterification of vegetable oils in solvent-free systems.

    Science.gov (United States)

    Lima, Lionete N; Oliveira, Gladson C; Rojas, Mayerlenis J; Castro, Heizir F; Da Rós, Patrícia C M; Mendes, Adriano A; Giordano, Raquel L C; Tardioli, Paulo W

    2015-04-01

    This work describes the preparation of biocatalysts for ethanolysis of soybean and babassu oils in solvent-free systems. Polystyrene, Amberlite (XAD-7HP), and octyl-silica were tested as supports for the immobilization of Pseudomonas fluorescens lipase (PFL). The use of octyl-silica resulted in a biocatalyst with high values of hydrolytic activity (650.0 ± 15.5 IU/g), immobilization yield (91.3 ± 0.3 %), and recovered activity (82.1 ± 1.5 %). PFL immobilized on octyl-silica was around 12-fold more stable than soluble PFL, at 45 °C and pH 8.0, in the presence of ethanol at 36 % (v/v). The biocatalyst provided high vegetable oil transesterification yields of around 97.5 % after 24 h of reaction using babassu oil and around 80 % after 48 h of reaction using soybean oil. The PFL-octyl-silica biocatalyst retained around 90 % of its initial activity after five cycles of transesterification of soybean oil. Octyl-silica is a promising support that can be used to immobilize PFL for subsequent application in biodiesel synthesis.

  20. Toward an optimal inversion method for synthetic aperture radar wind retrieval

    OpenAIRE

    Portabella, M.; Stoffelen, A.; Johannessen, Johnny A.

    2002-01-01

    In recent years, particular efforts have been made to derive wind fields over the oceans from synthetic aperture radar (SAR) images. In contrast with the scatterometer, the SAR has a higher spatial resolution and therefore has the potential to provide higher resolution wind information. Since there are at least two geophysical parameters (wind speed and wind direction) modulating the single SAR backscatter measurements, the inversion of wind fields from SAR observations has an inherent proble...

  1. Numerical investigations on coupled heat transfer and synthetical performance of a pressurized volumetric receiver with MCRT–FVM method

    International Nuclear Information System (INIS)

    Cheng, Z.D.; He, Y.L.; Cui, F.Q.

    2013-01-01

    This paper presents an axisymmetric steady-state computational fluid dynamics model and further studies on the complex coupled heat transfer combined radiation–convection–conduction in the pressurized volumetric receiver (PVR), by combining the Finite Volume Method (FVM) and the Monte Carlo Ray-Trace (MCRT) method. Based on this, effects of geometric parameters of the compound parabolic concentrator (CPC) and properties of the porous absorber on synthetical characteristics and performance of the photo-thermal conversion process in the PVR are further analyzed and discussed detailedly. It is found that the solar flux density distributions are always very heterogeneous with large nonuniformities, and the variation trends of the corresponding temperature distributions are very similar to these but with much lower order of magnitude. The CPC shape determined by the CPC exit aperture has much larger effects on synthetical characteristics and performance of the PVR than that of the CPC entry aperture with a constant acceptance angle. And a suitable or optimal thickness of the porous absorber could be determined by examining where the drastic decreasing trends occur at the curves of variations of synthetical characteristics and performance with the porosity. - Highlights: ► An axisymmetric steady-state CFD model of PVR is presented with MCRT–FVM method. ► The complex coupled heat transfer and synthetical performance of the PVR are studied. ► The effects of geometric parameters and porous properties are analyzed and discussed. ► Solar flux and temperature in PVR are very heterogeneous with large nonuniformities. ► An optimal absorber thickness can be determined by examining the effects of porosity.

  2. Solubility of 238U radionuclide from various types of soil in synthetic gastrointestinal fluids using "US in vitro" digestion method

    Science.gov (United States)

    Rashid, Nur Shahidah Abdul; Sarmani, Sukiman; Majid, Amran Ab.; Mohamed, Faizal; Siong, Khoo Kok

    2015-04-01

    238U radionuclide is a naturally occuring radioactive material that can be found in soil. In this study, the solubility of 238U radionuclide obtained from various types of soil in synthetic gastrointestinal fluids was analysed by "US P in vitro" digestion method. The synthetic gastrointestinal fluids were added to the samples with well-ordered, mixed throughly and incubated according to the human physiology digestive system. The concentration of 238U radionuclide in the solutions extracted from the soil was measured using Induced Coupling Plasma Mass Spectrometer (ICP-MS). The concentration of 238U radionuclide from the soil samples in synthetic gastrointestinal fluids showed different values due to different homogenity of soil types and chemical reaction of 238U radionuclide. In general, the solubility of 238U radionuclide in gastric fluid was higher (0.050 - 0.209 ppm) than gastrointestinal fluids (0.024 - 0.050 ppm). It could be concluded that the US P in vitro digestion method is practicle for estimating the solubility of 238U radionuclide from soil materials and could be useful for monitoring and risk assessment purposes applying to environmental, health and contaminated soil samples.

  3. A new method for fluid input into a hybrid synthetic jet actuator

    Directory of Open Access Journals (Sweden)

    Kordík J.

    2014-03-01

    Full Text Available A new principle of flow rectification for hybrid synthetic jet actuators is introduced in this paper. As is well known, the flow rectification can be best accomplished by means of fluidic diodes. Novelty of the present study are fluidic diodes with two mutually opposed nozzles. Interaction between the periodic jet flows from the nozzles causes a difference between the blowing and suction strokes, resulting in a particularly efficient rectification effect. The distance between the nozzle exits as well as the oscillation frequency were the parameters, which were varied during hot-wire measurements. The combination of those parameters achieving the highest volumetric effciency was identified.

  4. Synthetic Study of 2.5-D ATEM Based on Finite Element Method

    DEFF Research Database (Denmark)

    Qiang, Jianke; Zhou, Junjie; Cai, Hongzhu

    2013-01-01

    be amplified in the process of Laplace transform and Fourier transform. In order to get accurate result, the error should be well controlled in every procedure. The induced electromagnetic force can be computed accurately from vertical magnetic component by applying Lagrange interpolation. The synthetic model...... to the anomalous field which can avoid the singularity problem caused by the source which can excite the anomalous EM field. The EM source can be imposed to our process by incorporate the background EM field. The computation error can be accumulated due to the large variation of EM field and it can also...

  5. Properties of natural and synthetic hydroxyapatite and their surface free energy determined by the thin-layer wicking method

    Science.gov (United States)

    Szcześ, Aleksandra; Yan, Yingdi; Chibowski, Emil; Hołysz, Lucyna; Banach, Marcin

    2018-03-01

    Surface free energy is one of the parameters accompanying interfacial phenomena, occurring also in the biological systems. In this study the thin layer wicking method was used to determine surface free energy and its components for synthetic hydroxyapatite (HA) and natural one obtained from pig bones. The Raman, FTIR and X-Ray photoelectron spectroscopy, X-ray diffraction techniques and thermal analysis showed that both samples consist of carbonated hydroxyapatite without any organic components. Surface free energy and its apolar and polar components were found to be similar for both investigated samples and equalled γSTOT = 52.4 mJ/m2, γSLW = 40.2 mJ/m2 and γSAB = 12.3 mJ/m2 for the synthetic HA and γSTOT = 54.6 mJ/m2, γSLW = 40.3 mJ/m2 and γSAB = 14.3 mJ/m2 for the natural one. Both HA samples had different electron acceptor (γs+) and electron donor (γs-) parameters. The higher value of the electron acceptor was found for the natural HA whereas the electron donor one was higher for the synthetic HA

  6. Optimisation and Characterisation of Lipase-Catalysed Synthesis of a Kojic Monooleate Ester in a Solvent-Free System by Response Surface Methodology.

    Directory of Open Access Journals (Sweden)

    Khairulazhar Jumbri

    Full Text Available Kojic acid is widely used to inhibit the browning effect of tyrosinase in cosmetic and food industries. In this work, synthesis of kojic monooleate ester (KMO was carried out using lipase-catalysed esterification of kojic acid and oleic acid in a solvent-free system. Response Surface Methodology (RSM based on central composite rotatable design (CCRD was used to optimise the main important reaction variables, such as enzyme amount, reaction temperature, substrate molar ratio, and reaction time along with immobilised lipase from Candida Antarctica (Novozym 435 as a biocatalyst. The RSM data indicated that the reaction temperature was less significant in comparison to other factors for the production of a KMO ester. By using this statistical analysis, a quadratic model was developed in order to correlate the preparation variable to the response (reaction yield. The optimum conditions for the enzymatic synthesis of KMO were as follows: an enzyme amount of 2.0 wt%, reaction temperature of 83.69°C, substrate molar ratio of 1:2.37 (mmole kojic acid:oleic acid and a reaction time of 300.0 min. Under these conditions, the actual yield percentage obtained was 42.09%, which is comparably well with the maximum predicted value of 44.46%. Under the optimal conditions, Novozym 435 could be reused for 5 cycles for KMO production percentage yield of at least 40%. The results demonstrated that statistical analysis using RSM can be used efficiently to optimise the production of a KMO ester. Moreover, the optimum conditions obtained can be applied to scale-up the process and minimise the cost.

  7. Solid-state flurbiprofen and methyl-β-cyclodextrin inclusion complexes prepared using a single-step, organic solvent-free supercritical fluid process.

    Science.gov (United States)

    Rudrangi, Shashi Ravi Suman; Kaialy, Waseem; Ghori, Muhammad U; Trivedi, Vivek; Snowden, Martin J; Alexander, Bruce David

    2016-07-01

    The aim of this study was to enhance the apparent solubility and dissolution properties of flurbiprofen through inclusion complexation with cyclodextrins. Especially, the efficacy of supercritical fluid technology as a preparative technique for the preparation of flurbiprofen-methyl-β-cyclodextrin inclusion complexes was evaluated. The complexes were prepared by supercritical carbon dioxide processing and were evaluated by solubility, differential scanning calorimetry, X-ray powder diffraction, scanning electron microscopy, practical yield, drug content estimation and in vitro dissolution studies. Computational molecular docking studies were conducted to study the possibility of molecular arrangement of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin. The studies support the formation of stable molecular inclusion complexes between the drug and cyclodextrin in a 1:1 stoichiometry. In vitro dissolution studies showed that the dissolution properties of flurbiprofen were significantly enhanced by the binary mixtures prepared by supercritical carbon dioxide processing. The amount of flurbiprofen dissolved into solution alone was very low with 1.11±0.09% dissolving at the end of 60min, while the binary mixtures processed by supercritical carbon dioxide at 45°C and 200bar released 99.39±2.34% of the drug at the end of 30min. All the binary mixtures processed by supercritical carbon dioxide at 45°C exhibited a drug release of more than 80% within the first 10min irrespective of the pressure employed. The study demonstrated the single step, organic solvent-free supercritical carbon dioxide process as a promising approach for the preparation of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin in solid-state. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Structure factor of blends of solvent-free nanoparticle–organic hybrid materials: density-functional theory and small angle X-ray scattering

    KAUST Repository

    Yu, Hsiu-Yu

    2014-09-15

    © the Partner Organisations 2014. We investigate the static structure factor S(q) of solvent-free nanoparticle-organic hybrid materials consisting of silica nanocores and space-filling polyethylene glycol coronas using a density-functional theory and small angle X-ray scattering measurements. The theory considers a bidisperse suspension of hard spheres with different radii and tethered bead-spring oligomers with different grafting densities to approximate the polydispersity effects in experiments. The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona grafting density. Our scattering experiments and theory show that, compared to the hard-sphere suspension with the same core volume fraction, S(q) for pure samples exhibit both substantially smaller values at small q and stronger particle correlations corresponding to a larger effective hard core at large q, indicating that the tethered incompressible oligomers enforce a more uniform particle distribution, and the densely grafted brush gives rise to an additional exclusionary effect between the nanoparticles. According to the theory, polydispersity in the oligomer grafting density controls the deviation of S(q) from the monodisperse system at smaller q, and the interplay of the enhanced effective core size and the entropic attraction among the particles is responsible for complex variations in the particle correlations at larger q. The successful comparison between the predictions and the measurements for the blends further suggests that S(q) can be used to assess the uniformity of grafting density in polymer-grafted nanoparticle materials. This journal is

  9. Optimisation and Characterisation of Lipase-Catalysed Synthesis of a Kojic Monooleate Ester in a Solvent-Free System by Response Surface Methodology.

    Science.gov (United States)

    Jumbri, Khairulazhar; Al-Haniff Rozy, Mohd Fahruddin; Ashari, Siti Efliza; Mohamad, Rosfarizan; Basri, Mahiran; Fard Masoumi, Hamid Reza

    2015-01-01

    Kojic acid is widely used to inhibit the browning effect of tyrosinase in cosmetic and food industries. In this work, synthesis of kojic monooleate ester (KMO) was carried out using lipase-catalysed esterification of kojic acid and oleic acid in a solvent-free system. Response Surface Methodology (RSM) based on central composite rotatable design (CCRD) was used to optimise the main important reaction variables, such as enzyme amount, reaction temperature, substrate molar ratio, and reaction time along with immobilised lipase from Candida Antarctica (Novozym 435) as a biocatalyst. The RSM data indicated that the reaction temperature was less significant in comparison to other factors for the production of a KMO ester. By using this statistical analysis, a quadratic model was developed in order to correlate the preparation variable to the response (reaction yield). The optimum conditions for the enzymatic synthesis of KMO were as follows: an enzyme amount of 2.0 wt%, reaction temperature of 83.69°C, substrate molar ratio of 1:2.37 (mmole kojic acid:oleic acid) and a reaction time of 300.0 min. Under these conditions, the actual yield percentage obtained was 42.09%, which is comparably well with the maximum predicted value of 44.46%. Under the optimal conditions, Novozym 435 could be reused for 5 cycles for KMO production percentage yield of at least 40%. The results demonstrated that statistical analysis using RSM can be used efficiently to optimise the production of a KMO ester. Moreover, the optimum conditions obtained can be applied to scale-up the process and minimise the cost.

  10. Structure factor of blends of solvent-free nanoparticle-organic hybrid materials: density-functional theory and small angle X-ray scattering.

    Science.gov (United States)

    Yu, Hsiu-Yu; Srivastava, Samanvaya; Archer, Lynden A; Koch, Donald L

    2014-12-07

    We investigate the static structure factor S(q) of solvent-free nanoparticle-organic hybrid materials consisting of silica nanocores and space-filling polyethylene glycol coronas using a density-functional theory and small angle X-ray scattering measurements. The theory considers a bidisperse suspension of hard spheres with different radii and tethered bead-spring oligomers with different grafting densities to approximate the polydispersity effects in experiments. The experimental systems studied include pure samples with different silica core volume fractions and the associated mean corona grafting densities, and blends with different mixing ratios of the pure samples, in order to introduce varying polydispersity of corona grafting density. Our scattering experiments and theory show that, compared to the hard-sphere suspension with the same core volume fraction, S(q) for pure samples exhibit both substantially smaller values at small q and stronger particle correlations corresponding to a larger effective hard core at large q, indicating that the tethered incompressible oligomers enforce a more uniform particle distribution, and the densely grafted brush gives rise to an additional exclusionary effect between the nanoparticles. According to the theory, polydispersity in the oligomer grafting density controls the deviation of S(q) from the monodisperse system at smaller q, and the interplay of the enhanced effective core size and the entropic attraction among the particles is responsible for complex variations in the particle correlations at larger q. The successful comparison between the predictions and the measurements for the blends further suggests that S(q) can be used to assess the uniformity of grafting density in polymer-grafted nanoparticle materials.

  11. Solvent-free thermoplastic-poly(dimethylsiloxane) bonding mediated by UV irradiation followed by gas-phase chemical deposition of an adhesion linker

    Science.gov (United States)

    Ahn, S. Y.; Lee, N. Y.

    2015-07-01

    Here, we introduce a solvent-free strategy for bonding various thermoplastic substrates with poly(dimethylsiloxane) (PDMS) using ultraviolet (UV) irradiation followed by the gas-phase chemical deposition of aminosilane on the UV-irradiated thermoplastic substrates. The thermoplastic substrates were first irradiated with UV for surface hydrophilic treatment and were then grafted with vacuum-evaporated aminosilane, where the alkoxysilane side reacted with the oxidized surface of the thermoplastic substrate. Next, the amine-terminated thermoplastic substrates were treated with corona discharge to oxidize the surface and were bonded with PDMS, which was also oxidized via corona discharge. The two substrates were then hermetically sealed and pressed under atmospheric pressure for 30 min at 60 °C. This process enabled the formation of a robust siloxane bond (Si-O-Si) between the thermoplastic substrate and PDMS under relatively mild conditions using an inexpensive and commercially available UV lamp and Tesla coil. Various thermoplastic substrates were examined for bonding with PDMS, including poly(methylmethacrylate) (PMMA), polycarbonate (PC), poly(ethyleneterephthalate) (PET) and polystyrene (PS). Surface characterizations were performed by measuring the contact angle and performing x-ray photoelectron spectroscopy analysis, and the bond strength was analyzed by conducting various mechanical force measurements such as pull, delamination, leak and burst tests. The average bond strengths for the PMMA-PDMS, PC-PDMS, PET-PDMS and PS-PDMS assemblies were measured at 823.6, 379.3, 291.2 and 229.0 kPa, respectively, confirming the highly reliable performance of the introduced bonding strategy.

  12. Methods for open innovation on a genome-design platform associating scientific, commercial, and educational communities in synthetic biology.

    Science.gov (United States)

    Toyoda, Tetsuro

    2011-01-01

    Synthetic biology requires both engineering efficiency and compliance with safety guidelines and ethics. Focusing on the rational construction of biological systems based on engineering principles, synthetic biology depends on a genome-design platform to explore the combinations of multiple biological components or BIO bricks for quickly producing innovative devices. This chapter explains the differences among various platform models and details a methodology for promoting open innovation within the scope of the statutory exemption of patent laws. The detailed platform adopts a centralized evaluation model (CEM), computer-aided design (CAD) bricks, and a freemium model. It is also important for the platform to support the legal aspects of copyrights as well as patent and safety guidelines because intellectual work including DNA sequences designed rationally by human intelligence is basically copyrightable. An informational platform with high traceability, transparency, auditability, and security is required for copyright proof, safety compliance, and incentive management for open innovation in synthetic biology. GenoCon, which we have organized and explained here, is a competition-styled, open-innovation method involving worldwide participants from scientific, commercial, and educational communities that aims to improve the designs of genomic sequences that confer a desired function on an organism. Using only a Web browser, a participating contributor proposes a design expressed with CAD bricks that generate a relevant DNA sequence, which is then experimentally and intensively evaluated by the GenoCon organizers. The CAD bricks that comprise programs and databases as a Semantic Web are developed, executed, shared, reused, and well stocked on the secure Semantic Web platform called the Scientists' Networking System or SciNetS/SciNeS, based on which a CEM research center for synthetic biology and open innovation should be established. Copyright © 2011 Elsevier Inc

  13. Real-time 3D imaging methods using 2D phased arrays based on synthetic focusing techniques.

    Science.gov (United States)

    Kim, Jung-Jun; Song, Tai-Kyong

    2008-07-01

    A fast 3D ultrasound imaging technique using a 2D phased array transducer based on the synthetic focusing method for nondestructive testing or medical imaging is proposed. In the proposed method, each column of a 2D array is fired successively to produce transverse fan beams focused at a fixed depth along a given longitudinal direction and the resulting pulse echoes are received at all elements of a 2D array used. After firing all column arrays, a frame of high-resolution image along a given longitudinal direction is obtained with dynamic focusing employed in the longitudinal direction on receive and in the transverse direction on both transmit and receive. The volume rate of the proposed method can be increased much higher than that of the conventional 2D array imaging by employing an efficient sparse array technique. A simple modification to the proposed method can further increase the volume scan rate significantly. The proposed methods are verified through computer simulations.

  14. Two New 1,1,3,3-Tetramethylguanidinium Halochromates (C5H14N3CrO3X (X: Cl, F: Efficient Reagents for Oxidation of Organic Substrates under Solvent-Free Conditions and Microwave Irradiation

    Directory of Open Access Journals (Sweden)

    Kıvılcım Şendıl

    2016-01-01

    Full Text Available Two new mild oxidizing agents 1,1,3,3-tetramethylguanidinium fluorochromate (TMGFC and 1,1,3,3-tetramethylguanidinium chlorochromate (TMGCC were prepared in high yields by reacting tetramethylguanidine with CrO3 and related acid. These reagents are suitable to oxidize various primary and secondary alcohols and oximes to the corresponding carbonyl compounds under solvent-free conditions and microwave irradiation.

  15. An efficient and high-yielding one-pot synthesis of 1H-pyrazolo[1,2-b]phthalazine-5,10-diones catalyzed by sodium hydrogen carbonate under solvent-free conditions

    OpenAIRE

    Asieh Vafaee; Abolghasem Davoodnia; Mehdi Pordel; Mohammad Reza Bozorgmehr

    2015-01-01

    Sodium hydrogen carbonate, NaHCO3, efficiently catalyzes the one-pot, three-component reaction of phthalhydrazide, an aromatic aldehyde, and malononitrile or ethyl cyanoacetate under solvent-free conditions, to afford the corresponding 1H-pyrazolo[1,2-b]phthalazine-5,10-diones in high yields. Easy work‐up, inexpensive and readily available catalyst and avoiding the use of harmful organic solvents are other advantages of this simple procedure.

  16. Radical-scavenging Activity of Natural Methoxyphenols vs. Synthetic Ones using the Induction Period Method

    Directory of Open Access Journals (Sweden)

    Seiichiro Fujisawa

    2007-02-01

    Full Text Available The radical-scavenging activities of the synthetic antioxidants 2-allyl-4-X-phenol (X=NO2, Cl, Br, OCH3, COCH3, CH3, t-(CH33, C6H5 and 2,4-dimethoxyphenol, and the natural antioxidants eugenol and isoeugenol, were investigated using differential scanning calorimetry (DSC by measuring their anti-1,1-diphenyl-2-picrylhydrazyl (DPPH radical activity and the induction period for polymerization of methyl methacrylate (MMA initiated by thermal decomposition of 2,2'-azobisisobutyronitrile (AIBN and benzoyl peroxide (BPO. 2-Allyl-4-methoxyphenol and 2,4-dimethoxy-phenol scavenged not only oxygen-centered radicals (PhCOO. derived from BPO, but also carbon-centered radicals (R. derived from the AIBN and DPPH radical much more efficiently, in comparison with eugenol and isoeugenol. 2-Allyl-4-methoxyphenol may be useful for its lower prooxidative activity.

  17. The Cysteine S-Alkylation Reaction as a Synthetic Method to Covalently Modify Peptide Sequences.

    Science.gov (United States)

    Calce, Enrica; De Luca, Stefania

    2017-01-05

    Synthetic methodologies to chemically modify peptide molecules have long been investigated for their impact in the field of chemical biology. They allow the introduction of biochemical probes useful for studying protein functions, for manipulating peptides with therapeutic potential, and for structure-activity relationship investigations. The commonly used approach was the derivatization of an amino acid side chain. In this regard, the cysteine, for its unique reactivity, has been widely employed as the substrate for such modifications. Herein, we report on methodologies developed to modify the cysteine thiol group through the S-alkylation reaction. Some procedures perform the alkylation of cysteine derivatives, in order to prepare building blocks to be used during the peptide synthesis, whilst some others selectively modify peptide sequences containing a cysteine residue with a free thiol group, both in solution and in the solid phase. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. A synthetic-dynamic method for water solubility measurements in high pressure CO_2 using ATR–FTIR spectroscopy

    International Nuclear Information System (INIS)

    Comak, Gurbuz; Foltran, Stéphanie; Ke, Jie; Pérez, Eduardo; Sánchez-Vicente, Yolanda; George, Michael W.; Poliakoff, Martyn

    2016-01-01

    Highlights: • A synthetic method using ATR–FTIR spectroscopy has been developed to measure the solubility of water in CO_2_. • New data have been obtained for the dew point of the water at 4.05 MPa, 5.05 MPa and 6.03 MPa. • These data fill a gap in the literature and could be of significance for CO_2 transport in pipelines for CCS technology. - Abstract: A new synthetic method for studying phase behaviour is described using Attenuated Total Reflection (ATR) spectroscopy. The method has been developed to provide relevant information on the solubility of water in CO_2. The dew point of water has been determined at three different pressures, viz. (4.05, 5.05 and 6.03) MPa with mole fractions of water between 0.01 and 0.04. The data obtained fill the gap in the literature in these regions of pressures and temperatures and could be of high importance in the context of Carbon Capture and Storage (CCS) technology. Indeed, the presence of water in the captured CO_2 could damage the pipeline used for CO_2 transport. Hence, it is very important to have a fully understanding of the behaviour of the (CO_2 + H_2O) mixtures in wide range of temperature relevant for CCS.

  19. Introducing an attractive method for total biomimetic creation of a synthetic biodegradable bioactive bone scaffold based on statistical experimental design.

    Science.gov (United States)

    Shahbazi, Sara; Zamanian, Ali; Pazouki, Mohammad; Jafari, Yaser

    2018-05-01

    A new total biomimetic technique based on both the water uptake and degradation processes is introduced in this study to provide an interesting procedure to fabricate a bioactive and biodegradable synthetic scaffold, which has a good mechanical and structural properties. The optimization of effective parameters to scaffold fabrication was done by response surface methodology/central composite design (CCD). With this method, a synthetic scaffold was fabricated which has a uniform and open-interconnected porous structure with the largest pore size of 100-200μm. The obtained compressive ultimate strength of ~35MPa and compression modulus of 58MPa are similar to some of the trabecular bone. The pore morphology, size, and distribution of the scaffold were characterized using a scanning electron microscope and mercury porosimeter. Fourier transform infrared spectroscopy, EDAX and X-ray diffraction analyses were used to determine the chemical composition, Ca/P element ratio of mineralized microparticles, and the crystal structure of the scaffolds, respectively. The optimum biodegradable synthetic scaffold based on its raw materials of polypropylene fumarate, hydroxyethyl methacrylate and nano bioactive glass (PPF/HEMA/nanoBG) as 70/30wt/wt%, 20wt%, and 1.5wt/wt% (PHB.732/1.5) with desired porosity, pore size, and geometry were created by 4weeks immersion in SBF. This scaffold showed considerable biocompatibility in the ranging from 86 to 101% for the indirect and direct contact tests and good osteoblast cell attachment when studied with the bone-like cells. Copyright © 2018 Elsevier B.V. All rights reserved.

  20. Carbothermal reduction of Ti-modified IRMOF-3: an adaptable synthetic method to support catalytic nanoparticles on carbon.

    Science.gov (United States)

    Kim, Jongsik; McNamara, Nicholas D; Her, Theresa H; Hicks, Jason C

    2013-11-13

    This work describes a novel method for the preparation of titanium oxide nanoparticles supported on amorphous carbon with nanoporosity (Ti/NC) via the post-synthetic modification of a Zn-based MOF with an amine functionality, IRMOF-3, with titanium isopropoxide followed by its carbothermal pyrolysis. This material exhibited high purity, high surface area (>1000 m(2)/g), and a high dispersion of metal oxide nanoparticles while maintaining a small particle size (~4 nm). The material was shown to be a promising catalyst for oxidative desulfurization of diesel using dibenzothiophene as a model compound as it exhibited enhanced catalytic activity as compared with titanium oxide supported on activated carbon via the conventional incipient wetness impregnation method. The formation mechanism of Ti/NC was also proposed based on results obtained when the carbothermal reduction temperature was varied.

  1. RUNOFF HYDROGRAPHS USING SNYDER AND SCS SYNTHETIC UNIT HYDROGRAPH METHODS: A CASE STUDY OF SELECTED RIVERS IN SOUTH WEST NIGERIA

    Directory of Open Access Journals (Sweden)

    Wahab Adebayo Salami

    2017-01-01

    Full Text Available This paper presents the development of runoff hydrographs for selected rivers in Ogun-Osun river catchment, south west, Nigeria using Snyder and Soil Conservation Service (SCS methods of synthetic unit hydrograph to determine the ordinates. The Soil Conservation Service (SCS curve Number method was used to estimate the excess rainfall from storm of different return periods. The peak runoff hydrographs were determined by convoluting the unit hydrographs ordinates with the excess rainfall and the value of peak flows obtained by both Snyder and SCS methods observed to vary from one river watershed to the other. The peak runoff hydrograph flows obtained based on the unit hydrograph ordinate determined with Snyder method for 20-yr, 50-yr, 100-yr, 200-yr and 500-yr, return period varied from 112.63m3/s and 13364.30m3/s, while those based on the SCS method varied from 304.43m3/s and 6466.84m3/s for the eight watersheds. However, the percentage difference shows that for values of peak flows obtained with Snyder and SCS methods varies from 13.14% to 63.30%. However, SCS method is recommended to estimate the ordinate required for the development of peak runoff hydrograph in the river watersheds because it utilized additional morphometric parameters such as watershed slope and the curve number (CN which is a function of the properties of the soil and vegetation cover of the watershed.

  2. Optical Flow of Small Objects Using Wavelets, Bootstrap Methods, and Synthetic Discriminant Filters

    National Research Council Canada - National Science Library

    Hewer, Gary

    1997-01-01

    ...) targets in highly cluttered and noisy environments. In this paper; we present a novel wavelet detection algorithm which incorporates adaptive CFAR detection statistics using the bootstrap method...

  3. Applicability of an innovative steroid-profiling method to determine synthetic growth promoter abuse in cattle

    NARCIS (Netherlands)

    Blokland, M.H.; Tricht, van E.F.; Ginkel, van L.A.; Sterk, S.S.

    2017-01-01

    A robust LC–MS/MS method was developed to quantify a large number of phase I and phase II steroids in urine. The decision limit is for most compounds lower than 1 ng ml−1 with a measurement uncertainty smaller than 30%. The method is fully validated and was applied to assess the influence of

  4. A study on synthetic method and material characteristics of magnesium ammine chloride as ammonia transport materials for solid SCR

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Jong Kook; Yoon, Cheon Seog [Dept. of Mechanical Engineering, Hannam University, Daejeon (Korea, Republic of); Kim, Hong Suk [Engine Research Center, Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of)

    2015-11-15

    Among various ammonium salts and metal ammine chlorides used as solid materials for the sources of ammonia with solid SCR for lean NOx reduction, magnesium ammine chloride was taken up for study in this paper because of its ease of handling and safety. Lab-scale synthetic method of magnesium ammine chloride were studied for different durations, temperatures, and pressures with proper ammonia gas charged, as a respect of ammonia gas adsorption rate(%). To understand material characteristics for lab-made magnesium ammine chloride, DA, IC, FT-IR, XRD and SDT analyses were performed using the published data available in literature. From the analytical results, the water content in the lab-made magnesium ammine chloride can be determined. A new test procedure for water removal was proposed, by which the adsorption rate of lab-made sample was found to be approximately 100%.

  5. A study on synthetic method and material characteristics of magnesium ammine chloride as ammonia transport materials for solid SCR

    International Nuclear Information System (INIS)

    Shin, Jong Kook; Yoon, Cheon Seog; Kim, Hong Suk

    2015-01-01

    Among various ammonium salts and metal ammine chlorides used as solid materials for the sources of ammonia with solid SCR for lean NOx reduction, magnesium ammine chloride was taken up for study in this paper because of its ease of handling and safety. Lab-scale synthetic method of magnesium ammine chloride were studied for different durations, temperatures, and pressures with proper ammonia gas charged, as a respect of ammonia gas adsorption rate(%). To understand material characteristics for lab-made magnesium ammine chloride, DA, IC, FT-IR, XRD and SDT analyses were performed using the published data available in literature. From the analytical results, the water content in the lab-made magnesium ammine chloride can be determined. A new test procedure for water removal was proposed, by which the adsorption rate of lab-made sample was found to be approximately 100%

  6. Analytical synthetic methods of solution of neutron transport equation with diffusion theory approaches energy multigroup

    International Nuclear Information System (INIS)

    Moraes, Pedro Gabriel B.; Leite, Michel C.A.; Barros, Ricardo C.

    2013-01-01

    In this work we developed a software to model and generate results in tables and graphs of one-dimensional neutron transport problems in multi-group formulation of energy. The numerical method we use to solve the problem of neutron diffusion is analytic, thus eliminating the truncation errors that appear in classical numerical methods, e.g., the method of finite differences. This numerical analytical method increases the computational efficiency, since they are not refined spatial discretization necessary because for any spatial discretization grids used, the numerical result generated for the same point of the domain remains unchanged unless the rounding errors of computational finite arithmetic. We chose to develop a computational application in MatLab platform for numerical computation and program interface is simple and easy with knobs. We consider important to model this neutron transport problem with a fixed source in the context of shielding calculations of radiation that protects the biosphere, and could be sensitive to ionizing radiation

  7. Synthetic Methods and Exploring Biological Potential of Various Substituted Quinoxalin-2-one Derivatives

    OpenAIRE

    Mohammad Asif

    2016-01-01

    Substituted quinoxaline have considerable interest in chemistry, biology and pharmacology. Quinoxaline derivatives are capable with variety of biological activities and possess different biological activities, of which the most potent are anti-microbial, analgesic and anti-inflammatory activities. It facilitated the researchers to develop various methods for their synthesis and their applications. In this review represented different methods of synthesis, reactivity and various biological act...

  8. One-pot synthetic method to prepare highly N-doped nanoporous carbons for CO2 adsorption

    International Nuclear Information System (INIS)

    Meng, Long-Yue; Park, Soo-Jin

    2014-01-01

    A one-pot synthetic method was used for the preparation of nanoporous carbon containing nitrogen from polypyrrole (PPY) using NaOH as the activated agent. The activation process was carried out under set conditions (NaOH/PPY = 2 and NaOH/PPY = 4) at different temperatures in 600–900 °C for 2 h. The effect of the activation conditions on the pore structure, surface functional groups and CO 2 adsorption capacities of the prepared N-doped activated carbons was examined. The carbon was analyzed by X-ray photoelectron spectroscopy (XPS), N2/77 K full isotherms, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The CO 2 adsorption capacity of the N-doped activated carbon was measured at 298 K and 1 bar. By dissolving the activation agents, the N-doped activated carbon exhibited high specific surface areas (755–2169 m 2 g −1 ) and high pore volumes (0.394–1.591 cm 3 g −1 ). In addition, the N-doped activated carbons contained a high N content at lower activation temperatures (7.05 wt.%). The N-doped activated carbons showed a very high CO 2 adsorption capacity of 177 mg g −1 at 298 K and 1 bar. The CO 2 adsorption capacity was found to be dependent on the microporosity and N contents. - Highlights: • A one-pot synthetic method was used for the preparation of N-doped nanoporous carbons. • Polypyrrole (PPY) were activated with NaOH under set conditions (NaOH/PPY = 2 and 4). • N-doped activated carbon exhibited high specific surface areas (2169 m 2 g −1 ). • The carbons showed a very high CO 2 adsorption capacity of 177 mg g −1 at 298 K

  9. Krylov Iterative Methods and the Degraded Effectiveness of Diffusion Synthetic Acceleration for Multidimensional SN Calculations in Problems with Material Discontinuities

    International Nuclear Information System (INIS)

    Warsa, James S.; Wareing, Todd A.; Morel, Jim E.

    2004-01-01

    A loss in the effectiveness of diffusion synthetic acceleration (DSA) schemes has been observed with certain S N discretizations on two-dimensional Cartesian grids in the presence of material discontinuities. We will present more evidence supporting the conjecture that DSA effectiveness will degrade for multidimensional problems with discontinuous total cross sections, regardless of the particular physical configuration or spatial discretization. Fourier analysis and numerical experiments help us identify a set of representative problems for which established DSA schemes are ineffective, focusing on diffusive problems for which DSA is most needed. We consider a lumped, linear discontinuous spatial discretization of the S N transport equation on three-dimensional, unstructured tetrahedral meshes and look at a fully consistent and a 'partially consistent' DSA method for this discretization. The effectiveness of both methods is shown to degrade significantly. A Fourier analysis of the fully consistent DSA scheme in the limit of decreasing cell optical thickness supports the view that the DSA itself is failing when material discontinuities are present in a problem. We show that a Krylov iterative method, preconditioned with DSA, is an effective remedy that can be used to efficiently compute solutions for this class of problems. We show that as a preconditioner to the Krylov method, a partially consistent DSA method is more than adequate. In fact, it is preferable to a fully consistent method because the partially consistent method is based on a continuous finite element discretization of the diffusion equation that can be solved relatively easily. The Krylov method can be implemented in terms of the original S N source iteration coding with only slight modification. Results from numerical experiments show that replacing source iteration with a preconditioned Krylov method can efficiently solve problems that are virtually intractable with accelerated source iteration

  10. Method for detecting binding efficiencies of synthetic oligonucleotides: Targeting bacteria and insects

    Science.gov (United States)

    Expanding applications of gene-based targeting biotechnology in functional genomics and the treatment of plants, animals, and microbes has synergized the need for new methods to measure binding efficiencies of these products to their genetic targets. The adaptation and innovative use of Cell–Penetra...

  11. A Rapid Synthetic Method for the Preparation of Two Tris-Cobalt(III) Compounds.

    Science.gov (United States)

    Jackman, Donald C.; Rillema, D. Paul

    1989-01-01

    Reports a method of preparation for tris(ethylenediamine)cobalt(III) and tris(2,2'-bipyridine)cobalt(III) that will shorten the preparation time by approximately 3 hours. Notes the time for synthesis and isolation of compound one was 1 hour (yield 38 percent) while compound two took 50 minutes (yield 71%). (MVL)

  12. Method for assessment of stormwater treatment facilities - Synthetic road runoff addition including micro-pollutants and tracer.

    Science.gov (United States)

    Cederkvist, Karin; Jensen, Marina B; Holm, Peter E

    2017-08-01

    Stormwater treatment facilities (STFs) are becoming increasingly widespread but knowledge on their performance is limited. This is due to difficulties in obtaining representative samples during storm events and documenting removal of the broad range of contaminants found in stormwater runoff. This paper presents a method to evaluate STFs by addition of synthetic runoff with representative concentrations of contaminant species, including the use of tracer for correction of removal rates for losses not caused by the STF. A list of organic and inorganic contaminant species, including trace elements representative of runoff from roads is suggested, as well as relevant concentration ranges. The method was used for adding contaminants to three different STFs including a curbstone extension with filter soil, a dual porosity filter, and six different permeable pavements. Evaluation of the method showed that it is possible to add a well-defined mixture of contaminants despite different field conditions by having a flexibly system, mixing different stock-solutions on site, and use bromide tracer for correction of outlet concentrations. Bromide recovery ranged from only 12% in one of the permeable pavements to 97% in the dual porosity filter, stressing the importance of including a conservative tracer for correction of contaminant retention values. The method is considered useful in future treatment performance testing of STFs. The observed performance of the STFs is presented in coming papers. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Synthesis, characterization and catalytic application of silica supported tin oxide nanoparticles for synthesis of 2,4,5-tri and 1,2,4,5-tetrasubstituted imidazoles under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Ashok V. Borhade

    2017-02-01

    Full Text Available Highly efficient and eco-friendly, one pot synthesis of 1,2,4,5-tetra substituted imidazoles and 2,4,5-trisubstituted imidazoles was reported under solvent free conditions using nanocrystalline silica supported tin oxide (SiO2:SnO2 as a catalyst with excellent yield. The present methodology offers several advantages such as mild reaction conditions, short reaction time, good yield, high purity of product, recyclable catalyst without a noticeable decrease in catalytic activity and can be used for large scale synthesis. The synthesized SiO2:SnO2 nanocrystalline catalyst was characterized by XRD, BET surface area and TEM techniques.

  14. B2O3/Al2O3 as a new, highly efficient and reusable heterogeneous catalyst for the selective synthesis of β-enamino ketones and esters under solvent-free conditions

    International Nuclear Information System (INIS)

    Chen, Jiu-Xi; Gao, Wen-Xia; Jin, Hui-Le; Ding, Jin-Chang; Wu, Hua-Yue

    2010-01-01

    Boron oxide adsorbed on alumina (B 2 O 3 /Al 2 O 3 ) has been found to be a new and highly efficient heterogeneous catalyst for the synthesis of β-enamino ketones and esters by the enamination of various primary and secondary amines with β-dicarbonyl compounds under solvent-free conditions. The important features of this methodology are broad substrate scope, high yield, no requirement of metal catalysts, high regio- and chemoselectivity and environmental friendliness. In addition, the catalyst could be recovered easily after the reactions and reused without evident loss of reactivity. (author)

  15. Wet SiO2 As a Suitable Media for Fast and Efficient Reduction of Carbonyl Compounds with NaBH3CN under Solvent-Free and Acid-Free Conditions

    International Nuclear Information System (INIS)

    Kouhkan, Mehri; Zeynizadeh, Behzad

    2010-01-01

    Reduction of carbonyl compounds such as aldehydes, ketones, α,β-unsaturated enals and enones, α-diketones and acyloins was carried out readily with NaBH 3 CN in the presence of wet SiO 2 as a neutral media. The reactions were performed at solvent-free conditions in oil bath (70 - 80 .deg. C) or under microwave irradiation (240 W) to give the product alcohols in high to excellent yields. Regioselective 1,2-reduction of conjugated carbonyl compounds took place in a perfect selectivity without any side product formation

  16. Wet SiO{sub 2} As a Suitable Media for Fast and Efficient Reduction of Carbonyl Compounds with NaBH{sub 3}CN under Solvent-Free and Acid-Free Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Kouhkan, Mehri; Zeynizadeh, Behzad [Urmia University, Urmia (Iran, Islamic Republic of)

    2010-10-15

    Reduction of carbonyl compounds such as aldehydes, ketones, α,β-unsaturated enals and enones, α-diketones and acyloins was carried out readily with NaBH{sub 3}CN in the presence of wet SiO{sub 2} as a neutral media. The reactions were performed at solvent-free conditions in oil bath (70 - 80 .deg. C) or under microwave irradiation (240 W) to give the product alcohols in high to excellent yields. Regioselective 1,2-reduction of conjugated carbonyl compounds took place in a perfect selectivity without any side product formation.

  17. Automated Method to Develop a Clark Synthetic Unit Hydrograph within ArcGIS

    Science.gov (United States)

    2015-08-01

    the totaltime.asc raster to determine how long the rain in each cell takes to get to the outlet. This second method takes a Lagrangian approach to...occurred between 15 August and 15 September 2011 when multiple large rain events occurred over the study area. This time period will serve to show how...storm sewers . ASCE (American Society of Civil Engineers) Manual on Engineering Practice No. 37 and WPCF (Water Pollution Control Federation) Manual

  18. Recent progress in the direct synthesis of hierarchical zeolites: synthetic strategies and characterization methods

    KAUST Repository

    Liu, Zhaohui

    2017-06-16

    Hierarchically structured zeolites combine the merits of microporous zeolites and mesoporous materials to offer enhanced molecular diffusion and mass transfer without compromising the inherent catalytic activities and selectivity of zeolites. This short review gives an introduction to the synthesis strategies for hierarchically structured zeolites with emphasis on the latest progress in the route of ‘direct synthesis’ using various templates. Several characterization methods that allow us to evaluate the ‘quality’ of complex porous structures are also introduced. At the end of this review, an outlook is given to discuss some critical issues and challenges regarding the development of novel hierarchically structured zeolites as well as their applications.

  19. Synthetic Method for Oligonucleotide Block by Using Alkyl-Chain-Soluble Support.

    Science.gov (United States)

    Matsuno, Yuki; Shoji, Takao; Kim, Shokaku; Chiba, Kazuhiro

    2016-02-19

    A straightforward method for the synthesis of oligonucleotide blocks using a Cbz-type alkyl-chain-soluble support (Z-ACSS) attached to the 3'-OH group of 3'-terminal nucleosides was developed. The Z-ACSS allowed for the preparation of fully protected deoxyribo- and ribo-oligonucleotides without chromatographic purification and released dimer- to tetramer-size oligonucleotide blocks via hydrogenation using a Pd/C catalyst without significant loss or migration of protective groups such as 5'-end 4,4'-dimethoxtrityl, 2-cyanoethyl on internucleotide bonds, or 2'-TBS.

  20. A reformulated synthetic turbulence generation method for a zonal RANS–LES method and its application to zero-pressure gradient boundary layers

    International Nuclear Information System (INIS)

    Roidl, B.; Meinke, M.; Schröder, W.

    2013-01-01

    Highlights: • A synthetic turbulence generation method (STGM) is presented. • STGM is applied to sub and supersonic flows at low and moderate Reynolds numbers. • STGM shows a convincing quality in zonal RANS–LES for flat-plate boundary layers (BLs). • A good agreement with the pure LES and reference DNS findings is obtained. • RANS-to-LES transition length is reduced to less than four boundary-layer thicknesses. -- Abstract: A synthetic turbulence generation (STG) method for subsonic and supersonic flows at low and moderate Reynolds numbers to provide inflow distributions of zonal Reynolds-averaged Navier–Stokes (RANS) – large-eddy simulation (LES) methods is presented. The STG method splits the LES inflow region into three planes where a local velocity signal is decomposed from the turbulent flow properties of the upstream RANS solution. Based on the wall-normal position and the local flow Reynolds number, specific length and velocity scales with different vorticity content are imposed at the inlet plane of the boundary layer. The quality of the STG method for incompressible and compressible zero-pressure gradient boundary layers is shown by comparing the zonal RANS–LES data with pure LES, pure RANS, and direct numerical simulation (DNS) solutions. The distributions of the time and spanwise wall-shear stress, Reynolds stress distributions, and two point correlations of the zonal RANS–LES simulations are smooth in the transition region and in good agreement with the pure LES and reference DNS findings. The STG approach reduces the RANS-to-LES transition length to less than four boundary-layer thicknesses

  1. One-carbon 13C-labeled synthetic intermediates. Comparison and evaluation of preparative methods

    International Nuclear Information System (INIS)

    Ott, D.G.

    1978-01-01

    Frequently the biggest stumbling block to the synthesis of a structurally complex labeled compound is obtaining the required low molecular weight, structurally simple, isotopic intermediates. Selection of a particular scheme from various alternatives depends on the available capabilities and quantity of product desired, as well as on anticipated future requirements and need for related compounds. Many of the newer reagents for organic synthesis can be applied effectively to isotopic preparations with improvements of yields and simplification of procedures compared to established classical methods. New routes developed for higher molecular weight compounds are sometimes not directly adaptable to the one-carbon analogs, either because of isolation difficulties occasioned by physical properties or by chemical reactivities peculiar to their being first members of homologous series. Various routes for preparation of carbon-13 labeled methanol, formaldehyde, and cyanide are compared

  2. On the importance of effective convergence velocity of synthetic acceleration methods in neutron transport

    International Nuclear Information System (INIS)

    Coppa, G.G.M.; Ravetto, P.; Colombo, V.

    1996-01-01

    The present work concerns some aspects of the optimization of the synthesis acceleration techniques in neutron transport. The importance of non-asymptotic convergence velocity as a theoretical means to characterize and optimize acceleration methods is discussed in detail for isotropic as well as highly anisotropic scattering cases; this shows the innacuracy of results based only on the usual asyptotic analysis. A detailed study of convergence velocity behaviour for space discretized schemes and multidimensional problems is also presented. Finally, various kinds of theoretical-evaluated convergence velocities are reported to study the effective behaviour of some modifications of the classic DSA technique recently proposed to face its loss of effectiveness and optimize performances when dealing with highly anisotropic scattering; comparisons with results of already assessed DSA modification techniques are reported for various scattering cross-section configurations. (Author)

  3. A Vector Flow Imaging Method for Portable Ultrasound Using Synthetic Aperture Sequential Beamforming

    DEFF Research Database (Denmark)

    di Ianni, Tommaso; Villagómez Hoyos, Carlos Armando; Ewertsen, Caroline

    2017-01-01

    for the velocity estimation along the lateral and axial directions using a phase-shift estimator. The performance of the method was investigated with constant flow measurements in a flow rig system using the SARUS scanner and a 4.1-MHz linear array. A sequence was designed with interleaved B-mode and flow......, and the standard deviation (SD) was between 6% and 9.6%. The axial bias was lower than 1% with an SD around 2%. The mean estimated angles were 66.70° ± 2.86°, 72.65° ± 2.48°, and 89.13° ± 0.79° for the three cases. A proof-of-concept demonstration of the real-time processing and wireless transmission was tested...

  4. Improvements in or relating to method of preparing porous material/synthetic polymer composites

    International Nuclear Information System (INIS)

    Hills, P.R.; McGahan, D.J.

    1976-01-01

    A method for preparing a composite material is described comprising polymerising a monoethylenically unsaturated monomer of a mixture of copolymerisable monoethylenically unsaturated monomers in a porous material, excluding a porous natural cellulosic fibre material, the polymerisable liquid being admixed in the porous material with a saturated aliphatic hydrocarbon or a halogen derivative thereof. It is preferable that the polymerisable liquid and the hydrocarbon or halogen derivative are present in the porous material. Impregnation may be carried out by a vacuum technique or by simple immersion. The monomers that may be used are listed, but a mixture of styrene and acrylonitrile is preferred in the proportions 60 : 40 by volume. Polymerisation may be effected by irradiation, preferably with 60 Co γ-radiation. Suitable porous materials include concrete, stone, and fibreboard. If concrete is used the composite material may be used for pressure pipes and other articles normally made of steel. Examples of the application of the process are given. (U.K.)

  5. Synthetic Cannabinoids

    Directory of Open Access Journals (Sweden)

    Aslihan Okan Ibiloglu

    2017-09-01

    Full Text Available Synthetic cannabinoids which is a subgroup of cannabinoids are commonly used for recreational drug use throughout the whole world. Although both marijuana and synthetic cannabinoids stimulate the same receptors, cannabinoid receptor 1 (CB1 and cannabinoid receptor 2 (CB2, studies have shown that synthetic cannabinoids are much more potent than marijuana. The longer use of synthetic cannabinoids can cause severe physical and psychological symptoms that might even result in death, similar to many known illicit drugs. Main treatment options mostly involve symptom management and supportive care. The aim of this article is to discuss clinical and pharmacological properties of the increasingly used synthetic cannabinoids. [Psikiyatride Guncel Yaklasimlar - Current Approaches in Psychiatry 2017; 9(3.000: 317-328

  6. PtPb nanoparticle electrocatalysts: control of activity through synthetic methods

    International Nuclear Information System (INIS)

    Ghosh, Tanushree; Matsumoto, Futoshi; McInnis, Jennifer; Weiss, Marilyn; Abruna, Hector D.; DiSalvo, Francis J.

    2009-01-01

    Solution phase synthesis of intermetallic nanoparticles without using surfactants (for catalytic applications) and subsequent control of size distribution remains a challenge: of growing interest, but not widely explored yet. To understand the questions in the syntheses of Pt containing intermetallic nanoparticles (as electrocatalysts for direct fuel cells) by using sodium naphthalide as the reducing agent, the effects of the Pt precursors' organic ligands were investigated. PtPb syntheses were studied as the model case. In particular, methods that lead to nanoparticles that are independent single crystals are desirable. Platinum acetylacetonate, which is soluble in many organic solvents, has ligands that may interfere less with nanoparticle growth and ordering. Interesting trends, contrary to expectations, were observed when precursors were injected into a reducing agent solution at high temperatures. The presence of acetylacetonate, from the precursor, on the nanoparticles was confirmed by ATR, while SEM imaging showed evidence of morphological changes in the nanoparticles with increasing reaction temperature. A definite relationship between domain size and extent of observed residue (organic material and sodium) present on the particles could be established. By varying post-reaction solvent removal techniques, room temperature crystallization of PtPb nanoparticles was also achieved. Electrochemical activity of the nanoparticles was also much higher than that of nanoparticles synthesized by previous reaction schemes using sodium naphthalide as the reducing agent. Along with the above mentioned techniques, BET, TEM, CBED, SAED, and XRD were used as characterization tools for the prepared nanoparticles.

  7. Application of synthetic diffusion method in the numerical solution of the equations of neutron transport in slab geometry

    International Nuclear Information System (INIS)

    Valdes Parra, J.J.

    1986-01-01

    One of the main problems in reactor physics is to determine the neutron distribution in reactor core, since knowing that, it is possible to calculate the rapidity of occurrence of different nuclear reaction inside the reactor core. Within different theories existing in nuclear reactor physics, is neutron transport the one in which equation who govern the exact behavior of neutronic distribution are developed even inside the proper neutron transport theory, there exist different methods of solution which are approximations to exact solution; still more, with the purpose to reach a more precise solution, the majority of methods have been approached to the obtention of solutions in numerical form with the aim of take the advantages of modern computers, and for this reason a great deal of effort is dedicated to numerical solution of the equations of neutron transport. In agreement with the above mentioned, in this work has been developed a computer program which uses a relatively new techniques known as 'acceleration of synthetic diffusion' which has been applied to solve the neutron transport equation with 'classical schemes of spatial integration' obtaining results with a smaller quantity of interactions, if they compare to done without using such equation (Author)

  8. Genome-wide engineering of an infectious clone of herpes simplex virus type 1 using synthetic genomics assembly methods.

    Science.gov (United States)

    Oldfield, Lauren M; Grzesik, Peter; Voorhies, Alexander A; Alperovich, Nina; MacMath, Derek; Najera, Claudia D; Chandra, Diya Sabrina; Prasad, Sanjana; Noskov, Vladimir N; Montague, Michael G; Friedman, Robert M; Desai, Prashant J; Vashee, Sanjay

    2017-10-17

    Here, we present a transformational approach to genome engineering of herpes simplex virus type 1 (HSV-1), which has a large DNA genome, using synthetic genomics tools. We believe this method will enable more rapid and complex modifications of HSV-1 and other large DNA viruses than previous technologies, facilitating many useful applications. Yeast transformation-associated recombination was used to clone 11 fragments comprising the HSV-1 strain KOS 152 kb genome. Using overlapping sequences between the adjacent pieces, we assembled the fragments into a complete virus genome in yeast, transferred it into an Escherichia coli host, and reconstituted infectious virus following transfection into mammalian cells. The virus derived from this yeast-assembled genome, KOS YA , replicated with kinetics similar to wild-type virus. We demonstrated the utility of this modular assembly technology by making numerous modifications to a single gene, making changes to two genes at the same time and, finally, generating individual and combinatorial deletions to a set of five conserved genes that encode virion structural proteins. While the ability to perform genome-wide editing through assembly methods in large DNA virus genomes raises dual-use concerns, we believe the incremental risks are outweighed by potential benefits. These include enhanced functional studies, generation of oncolytic virus vectors, development of delivery platforms of genes for vaccines or therapy, as well as more rapid development of countermeasures against potential biothreats.

  9. Novel synthetic lethality screening method identifies TIP60-dependent radiation sensitivity in the absence of BAF180.

    Science.gov (United States)

    Hopkins, Suzanna R; McGregor, Grant A; Murray, Johanne M; Downs, Jessica A; Savic, Velibor

    2016-10-01

    In recent years, research into synthetic lethality and how it can be exploited in cancer treatments has emerged as major focus in cancer research. However, the lack of a simple to use, sensitive and standardised assay to test for synthetic interactions has been slowing the efforts. Here we present a novel approach to synthetic lethality screening based on co-culturing two syngeneic cell lines containing individual fluorescent tags. By associating shRNAs for a target gene or control to individual fluorescence labels, we can easily follow individual cell fates upon siRNA treatment and high content imaging. We have demonstrated that the system can recapitulate the functional defects of the target gene depletion and is capable of discovering novel synthetic interactors and phenotypes. In a trial screen, we show that TIP60 exhibits synthetic lethality interaction with BAF180, and that in the absence of TIP60, there is an increase micronuclei dependent on the level of BAF180 loss, significantly above levels seen with BAF180 present. Moreover, the severity of the interactions correlates with proxy measurements of BAF180 knockdown efficacy, which may expand its usefulness to addressing synthetic interactions through titratable hypomorphic gene expression. Copyright © 2016. Published by Elsevier B.V.

  10. Multiclass analytical method for the determination of natural/synthetic steroid hormones, phytoestrogens, and mycoestrogens in milk and yogurt.

    Science.gov (United States)

    Socas-Rodríguez, Bárbara; Lanková, Darina; Urbancová, Kateřina; Krtková, Veronika; Hernández-Borges, Javier; Rodríguez-Delgado, Miguel Ángel; Pulkrabová, Jana; Hajšlová, Jana

    2017-07-01

    Within this study, a new method enabling monitoring of various estrogenic substances potentially occurring in milk and dairy products was proposed. Groups of compounds fairly differing in physico-chemical properties and biological activity were analyzed: four natural estrogens, four synthetic estrogens, five mycoestrogens, and nine phytoestrogens. Since they may pass into milk mainly in glucuronated and sulfated forms, an enzymatic hydrolysis was involved prior to the extraction based on the QuEChERS methodology. For the purification of the organic extract, a dispersive solid-phase extraction (d-SPE) with sorbent C18 was applied. The final analysis was performed by ultra-high-performance liquid chromatography (UHPLC) coupled with triple quadrupole tandem mass spectrometry (MS/MS). Method recovery ranged from 70 to 120% with a relative standard deviation (RSD) value lower than 20% and limits of quantification (LOQs) in the range of 0.02-0.60 μg/L (0.2-6.0 μg/kg dry weight) and 0.02-0.90 μg/kg (0.2-6.0 μg/kg dry weight) for milk and yogurt, respectively. The new procedure was applied for the investigation of estrogenic compounds in 11 milk samples and 13 yogurt samples from a Czech retail market. Mainly phytoestrogens were found in the studied samples. The most abundant compounds were equol and enterolactone representing 40-90% of all estrogens. The total content of phytoestrogens (free and bound) was in the range of 149-3870 μg/kg dry weight. This amount is approximately 20 times higher compared to non-bound estrogens.

  11. Simultaneous Determination of 6-Mercaptopurine and its Oxidative Metabolites in Synthetic Solutions and Human Plasma using Spectrophotometric Multivariate Calibration Methods

    Directory of Open Access Journals (Sweden)

    Mohammad-Reza Rashidi

    2011-06-01

    Full Text Available Introduction: 6-Mercaptopurine (6MP is an important chemotherapeutic drug in the conventional treatment of childhood acute lymphoblastic leukemia (ALL. It is catabolized to 6-thiouric acid (6TUA through 8-hydroxo-6-mercaptopurine (8OH6MP or 6-thioxanthine (6TX intermediates. Methods: High-performance liquid chromatography (HPLC is usually used to determine the contents of therapeutic drugs, metabolites and other important biomedical analytes in biological samples. In the present study, the multivariate calibration methods, partial least squares (PLS-1 and principle component regression (PCR have been developed and validated for the simultaneous determination of 6MP and its oxidative metabolites (6TUA, 8OH6MP and 6TX without analyte separation in spiked human plasma. Mixtures of 6MP, 8-8OH6MP, 6TX and 6TUA have been resolved by PLS-1 and PCR to their UV spectra. Results: Recoveries (% obtained for 6MP, 8-8OH6MP, 6TX and 6TUA were 94.5-97.5, 96.6-103.3, 95.1-96.9 and 93.4-95.8, respectively, using PLS-1 and 96.7-101.3, 96.2-98.8, 95.8-103.3 and 94.3-106.1, respectively, using PCR. The NAS (Net analyte signal concept was used to calculate multivariate analytical figures of merit such as limit of detection (LOD, selectivity and sensitivity. The limit of detections for 6MP, 8-8OH6MP, 6TX and 6TUA were calculated to be 0.734, 0.439, 0.797 and 0.482 µmol L-1, respectively, using PLS and 0.724, 0.418, 0783 and 0.535 µmol L-1, respectively, using PCR. HPLC was also applied as a validation method for simultaneous determination of these thiopurines in the synthetic solutions and human plasma. Conclusion: Combination of spectroscopic techniques and chemometric methods (PLS and PCR has provided a simple but powerful method for simultaneous analysis of multicomponent mixtures.

  12. Synthetic environments

    Science.gov (United States)

    Lukes, George E.; Cain, Joel M.

    1996-02-01

    The Advanced Distributed Simulation (ADS) Synthetic Environments Program seeks to create robust virtual worlds from operational terrain and environmental data sources of sufficient fidelity and currency to interact with the real world. While some applications can be met by direct exploitation of standard digital terrain data, more demanding applications -- particularly those support operations 'close to the ground' -- are well-served by emerging capabilities for 'value-adding' by the user working with controlled imagery. For users to rigorously refine and exploit controlled imagery within functionally different workstations they must have a shared framework to allow interoperability within and between these environments in terms of passing image and object coordinates and other information using a variety of validated sensor models. The Synthetic Environments Program is now being expanded to address rapid construction of virtual worlds with research initiatives in digital mapping, softcopy workstations, and cartographic image understanding. The Synthetic Environments Program is also participating in a joint initiative for a sensor model applications programer's interface (API) to ensure that a common controlled imagery exploitation framework is available to all researchers, developers and users. This presentation provides an introduction to ADS and the associated requirements for synthetic environments to support synthetic theaters of war. It provides a technical rationale for exploring applications of image understanding technology to automated cartography in support of ADS and related programs benefitting from automated analysis of mapping, earth resources and reconnaissance imagery. And it provides an overview and status of the joint initiative for a sensor model API.

  13. Optical and Scanning electron Microscopy as advanced analysis methods to determine the condition of synthetic geo membranes

    International Nuclear Information System (INIS)

    Soriano Carrillo, J.; Blanco Fernandez, M.; Garcia Calleja, M. A.; Leiro Lopez, A.; Mateo Sanz, B.; Aguilar Gonzalez, E.; Rubin de Celix, M.

    2014-01-01

    Microscopic techniques have been widely used for years in the study of inorganic materials however their use in organic materials and specifically, in synthetic geo membranes, is very limited. In this study, this innovative technology has been used with the different geo synthetic polymeric barriers with which this research team is experienced: plasticized polyvinyl chloride, polyethylenes, rubbers such as ethenyltriphenyl-diene monomer terpolymer and butyl, polyolefins, ethylene-vinyl acetate copolymer, chlorosulfonated polyethylene and polypropylene. the influence of the extraction area and the time since their application is tested. (Author)

  14. Magnetic Nanoparticle Immobilized N-Propylsulfamic Acid as a Recyclable and Efficient Nanocatalyst for the Synthesis of 2H-indazolo[2,1-b]phthalazine-triones in Solvent-Free Conditions: Comparison with Sulfamic Acid

    Energy Technology Data Exchange (ETDEWEB)

    Rostami, Amin; Tahmasbi, Bahman; Yari, Ako [Univ. of Kurdistan, Sanandaj (Iran, Islamic Republic of)

    2013-05-15

    N-Propylsulfamic acid supported onto magnetic Fe{sub 3}O{sub 4} nanoparticles (MNPs-PSA) was used as an efficient and magnetically recoverable catalyst for synthesis of 2H-Indazolo[2,1-b]phthalazine-1,6,11(13H)-trione derivatives from the three-component, one-pot condensation reaction of phthalhydrazide, aromatic aldehydes and cyclic 1,3-diones, in good to excellent yields at 100 .deg. C under solvent-free conditions. The catalyst was easily separated with the assistance of an external magnetic field from the reaction mixture and reused for several consecutive runs without significant loss of its catalytic efficiency. In order to compare, the synthesis of 2H-Indazolo[2,1-b]phthalazine-1,6,11(13H)-trione derivatives in the presence of catalytic amount of sulfamic acid (SA) under same reaction condition was also reported.

  15. Ni2+ supported on hydroxyapatite-core@shell γ-Fe2O3 nanoparticles as new and green catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H-ones under solvent-free condition

    Directory of Open Access Journals (Sweden)

    Eshagh Rezaee Nezhad

    2013-10-01

    Full Text Available The aim of this research is to study Ni2+ supported on hydroxyapatite-core-shell magnetic γ-Fe2O3 nanoparticles (γ-Fe2O3@HAp-Ni2+ as a green and recyclable catalyst for the Biginelli reaction under solvent-free conditions. One-pot multi-component condensation of 1,3-dicarbonyl compounds, urea and aldehydes at 80 oC affords the corresponding compounds in high yields and in short reaction times using γ-Fe2O3@HAp-Ni2+. The catalyst can be readily isolated using an external magnet and no obvious loss of activity was observed when the catalyst was reused in seven consecutive runs. The mean size and the surface morphology of the nanoparticles were characterized by transmission electron microscopy, scanning electron microscope, vibrating sample magnetometry, X-ray powder diffraction and Fourier transform infrared techniques.

  16. Green synthesis, characterization and catalytic activity of natural bentonite-supported copper nanoparticles for the solvent-free synthesis of 1-substituted 1H-1,2,3,4-tetrazoles and reduction of 4-nitrophenol

    Directory of Open Access Journals (Sweden)

    Akbar Rostami-Vartooni

    2015-12-01

    Full Text Available In this study, Cu nanoparticles were immobilized on the surface of natural bentonite using Thymus vulgaris extract as a reducing and stabilizing agent. The natural bentonite-supported copper nanoparticles (Cu NPs/bentonite were characterized by FTIR spectroscopy, X-ray diffraction (XRD, X-ray fluorescence (XRF, field emission scanning electron microscopy (FE-SEM, energy dispersive X-ray spectroscopy (EDS, transmission electron microscopy (TEM, selected area electron diffraction (SAED and Brunauer–Emmett–Teller (BET analysis. Afterward, the catalytic performance of the prepared catalyst was investigated for the solvent-free synthesis of 1-substituted 1H-1,2,3,4-tetrazoles and reduction of 4-nitrophenol (4-NP in water. It was found that the Cu NPs/bentonite is a highly active and recyclable catalyst for related reactions.

  17. Mimicking biological stress-strain behaviour with synthetic elastomers

    Science.gov (United States)

    Vatankhah-Varnosfaderani, Mohammad; Daniel, William F. M.; Everhart, Matthew H.; Pandya, Ashish A.; Liang, Heyi; Matyjaszewski, Krzysztof; Dobrynin, Andrey V.; Sheiko, Sergei S.

    2017-09-01

    Despite the versatility of synthetic chemistry, certain combinations of mechanical softness, strength, and toughness can be difficult to achieve in a single material. These combinations are, however, commonplace in biological tissues, and are therefore needed for applications such as medical implants, tissue engineering, soft robotics, and wearable electronics. Present materials synthesis strategies are predominantly Edisonian, involving the empirical mixing of assorted monomers, crosslinking schemes, and occluded swelling agents, but this approach yields limited property control. Here we present a general strategy for mimicking the mechanical behaviour of biological materials by precisely encoding their stress-strain curves in solvent-free brush- and comb-like polymer networks (elastomers). The code consists of three independent architectural parameters—network strand length, side-chain length and grafting density. Using prototypical poly(dimethylsiloxane) elastomers, we illustrate how this parametric triplet enables the replication of the strain-stiffening characteristics of jellyfish, lung, and arterial tissues.

  18. A convenient synthesis of 3-aryl-1,2,4-oxadiazoles from ethyl acetoacetate and amidoximes under solvent-free conditions

    Directory of Open Access Journals (Sweden)

    Juliana L. L. F. Regueira

    2012-06-01

    Full Text Available 1,2,4-Oxadiazole containing compounds have attracted great attention due to their applications in material chemistry and therapeutics. Herein we report a convenient synthesis of 3-aril-[1,2,4-oxadiazol-5yl] propan-2-one (3a-d by heating of b-ceto esters and an amidoximes without any solvent and in the absence of base. The arylamidoximes (1a-f was synthesized in moderate and excellent yields (31- 89% by reaction of nitrile with hydroxylamine hydrochloride in water at 25ºC. In the general synthetic strategy employed in our study is illustrated in scheme 1. The 3-aril-[1,2,4-oxadiazol-5yl] propan-2-one (3a-f were synthesized by treatment of arylamidoxime (1a-f with b-ceto esters for 4 hour without any solvent and in the absence of base. The reaction was monitored  by TLC   (thin layer chromatography. The heterocycles (3a-f were obtained in moderate and good yields (60-88%. The products were identified using both analytical and spectral data (IR, 1H and 13C NMR and all compounds are in full agreement with the proposed structure.

  19. Clinical application in the improved method of whirbone axial view X-ray photography and synthetical evaluation of various survey methods

    International Nuclear Information System (INIS)

    Ma Xiushan; Zou Dehua; Lin Bo; Liu Xiying; Xu Yingjie; Zhang Guoxian; Wang Limin

    2007-01-01

    Objective: To summarize the improved method of photographing axial view of the patella by genuflex at 25 degree angle and evaluate synthetically various measures. Methods: Special projection frame was made to photograph in the study. Thirty normal people were enrolled as controls and 154 patients with fore-knee pain were included in the patient group. The patients were found to be abnormal in the arrangement of the patella by patella axial view photographs. Measures included sulcus angle (SA), congruence angle (CA), lateral shift (LS), later patellofemoral angle (LPFA), patellofemoral index (PFI), and lateral patellar displacement (LPD). Results: The average value of the parameter of two groups respectively are comparison group of SA 137.38 degree, CA -10.73 degree, LS 10.49%, LPFA 13.70 degree, PFI 0.48, LPD 0.45 mm and observation group of: SA 142.38 degree, CA -0.71 degree, LS 19.68%, LPFA 12.12 degree, PFI 1.13, LPD 0.42 mm. There was significant difference between the control group and patients for most measures except LPD (P<0.01). The measures of PFI, CA, LS, LPTA and LPD were sensitive to the disarrangement of the patella, with sensitivity of 71.66%, 63.33%, 56.66%, 21.60%, 16.66% respectively. Conclusions: The method of photographing axial view of the patella by genuflex at 25 degree angle is effective. It increases distinctness of the photographs. Furthermore, the method makes line-drawing more easily and measuring more accurately. (authors)

  20. Synthetic Rutile

    International Nuclear Information System (INIS)

    Burastero, J.

    1975-01-01

    This work is about the laboratory scale investigation of the conditions in the rutile synthetic production from one me nita in Aguas Dulces reservoir. The iron mineral is chlorinated and volatilized selectively leaving a residue enriched in titanium dioxide which can be used as a substitute of rutile mineral

  1. Synthetic torpor: A method for safely and practically transporting experimental animals aboard spaceflight missions to deep space

    Science.gov (United States)

    Griko, Yuri; Regan, Matthew D.

    2018-02-01

    Animal research aboard the Space Shuttle and International Space Station has provided vital information on the physiological, cellular, and molecular effects of spaceflight. The relevance of this information to human spaceflight is enhanced when it is coupled with information gleaned from human-based research. As NASA and other space agencies initiate plans for human exploration missions beyond low Earth orbit (LEO), incorporating animal research into these missions is vitally important to understanding the biological impacts of deep space. However, new technologies will be required to integrate experimental animals into spacecraft design and transport them beyond LEO in a safe and practical way. In this communication, we propose the use of metabolic control technologies to reversibly depress the metabolic rates of experimental animals while in transit aboard the spacecraft. Compared to holding experimental animals in active metabolic states, the advantages of artificially inducing regulated, depressed metabolic states (called synthetic torpor) include significantly reduced mass, volume, and power requirements within the spacecraft owing to reduced life support requirements, and mitigated radiation- and microgravity-induced negative health effects on the animals owing to intrinsic physiological properties of torpor. In addition to directly benefitting animal research, synthetic torpor-inducing systems will also serve as test beds for systems that may eventually hold human crewmembers in similar metabolic states on long-duration missions. The technologies for inducing synthetic torpor, which we discuss, are at relatively early stages of development, but there is ample evidence to show that this is a viable idea and one with very real benefits to spaceflight programs. The increasingly ambitious goals of world's many spaceflight programs will be most quickly and safely achieved with the help of animal research systems transported beyond LEO; synthetic torpor may

  2. Characterization and simulation of noise in PET images reconstructed with OSEM: Development of a method for the generation of synthetic images.

    Science.gov (United States)

    Castro, P; Huerga, C; Chamorro, P; Garayoa, J; Roch, M; Pérez, L

    2018-04-17

    The goals of the study are to characterize imaging properties in 2D PET images reconstructed with the iterative algorithm ordered-subset expectation maximization (OSEM) and to propose a new method for the generation of synthetic images. The noise is analyzed in terms of its magnitude, spatial correlation, and spectral distribution through standard deviation, autocorrelation function, and noise power spectrum (NPS), respectively. Their variations with position and activity level are also analyzed. This noise analysis is based on phantom images acquired from 18 F uniform distributions. Experimental recovery coefficients of hot spheres in different backgrounds are employed to study the spatial resolution of the system through point spread function (PSF). The NPS and PSF functions provide the baseline for the proposed simulation method: convolution with PSF as kernel and noise addition from NPS. The noise spectral analysis shows that the main contribution is of random nature. It is also proven that attenuation correction does not alter noise texture but it modifies its magnitude. Finally, synthetic images of 2 phantoms, one of them an anatomical brain, are quantitatively compared with experimental images showing a good agreement in terms of pixel values and pixel correlations. Thus, the contrast to noise ratio for the biggest sphere in the NEMA IEC phantom is 10.7 for the synthetic image and 8.8 for the experimental image. The properties of the analyzed OSEM-PET images can be described by NPS and PSF functions. Synthetic images, even anatomical ones, are successfully generated by the proposed method based on the NPS and PSF. Copyright © 2018 Sociedad Española de Medicina Nuclear e Imagen Molecular. Publicado por Elsevier España, S.L.U. All rights reserved.

  3. The effect of synthetic method and annealing temperature on metal site preference in Al(1-x)Ga(x)FeO3.

    Science.gov (United States)

    Walker, James D S; Grosvenor, Andrew P

    2013-08-05

    Magnetoelectric materials couple both magnetic and electronic properties, making them attractive for use in multifunctional devices. The magnetoelectric AFeO3 compounds (Pna2(1); A = Al, Ga) have received attention as the properties of the system depend on composition as well as the synthetic method used. Al(1-x)Ga(x)FeO3. (0 ≤ x ≤ 1) was synthesized by the sol-gel and coprecipitation methods and studied by X-ray absorption near-edge spectroscopy (XANES). Al L(2,3-), Ga K-, and Fe K-edge XANES spectra were collected to examine how the average metal coordination number (CN) changes with the synthetic method. Al and Fe were found to prefer octahedral sites, while Ga prefers the tetrahedral site. It was found that composition played a larger role in determining site occupancies than synthetic method. Samples made by the sol-gel or ceramic methods (reported previously; Walker, J. D. S.; Grosvenor, A. P. J. Solid State Chem. 2013, 197, 147-153) showed smaller spectral changes than samples made via the coprecipitation method. This is attributed to greater ion mobility in samples synthesized via coprecipitation as the reactants do not have a long-range polymeric or oxide network during synthesis like samples synthesized via the sol-gel or ceramic method. Increasing annealing temperature increases the average coordination number of Al, and to a lesser extent Ga, while the average coordination number of Fe decreases. This study indicates that greater disorder is observed when the Al(1-x)Ga(x)FeO3. compounds have high Al content, and when annealed at higher temperatures.

  4. Solubility of 238U radionuclide from various types of soil in synthetic gastrointestinal fluids using “US in vitro” digestion method

    International Nuclear Information System (INIS)

    Rashid, Nur Shahidah Abdul; Sarmani, Sukiman; Majid, Amran Ab.; Mohamed, Faizal; Siong, Khoo Kok

    2015-01-01

    238U radionuclide is a naturally occuring radioactive material that can be found in soil. In this study, the solubility of 238U radionuclide obtained from various types of soil in synthetic gastrointestinal fluids was analysed by “US P in vitro” digestion method. The synthetic gastrointestinal fluids were added to the samples with well-ordered, mixed throughly and incubated according to the human physiology digestive system. The concentration of 238U radionuclide in the solutions extracted from the soil was measured using Induced Coupling Plasma Mass Spectrometer (ICP-MS). The concentration of 238U radionuclide from the soil samples in synthetic gastrointestinal fluids showed different values due to different homogenity of soil types and chemical reaction of 238U radionuclide. In general, the solubility of 238U radionuclide in gastric fluid was higher (0.050 – 0.209 ppm) than gastrointestinal fluids (0.024 – 0.050 ppm). It could be concluded that the US P in vitro digestion method is practicle for estimating the solubility of 238U radionuclide from soil materials and could be useful for monitoring and risk assessment purposes applying to environmental, health and contaminated soil samples

  5. [An ultrafast liquid chromatography-tandem mass spectrometric method for simultaneous determination of common artificial synthetic pigments in cooked meat products].

    Science.gov (United States)

    Chen, Xiaohong; Li, Xiaoping; Zhao, Yonggang; Pan, Shengdong; Jin, Micong

    2015-07-01

    A method based on ultrafast liquid chromatography-tandem mass spectrometry (UFLC-MS/MS) has been developed for the simultaneous determination of seven synthetic pigments in cooked meat product. After the cooked meat products were extracted by mixed extraction agent, purified by WAX column, the UFLC separation was performed on a Shim-pack XR-ODS II column (75 mm x 2.0 mm, 2.2 µm) with a linear gradient elution program of acetonitrile and ammonium acetate (AmAc, 5 mmol/L) as the mobile phase. Electrospray ionization was applied and operated in the negative ion mode. The limits of quantitation (LOQs) for the seven synthetic pigments were in the range of 0.7-5.0 µg/kg. The calibration curves showed good linearities for the seven analytes in their detection ranges, and the correlative coefficients (r) were more than 0.999. The recoveries were between 88.2%-106.5% with the RSDs in the range of 1.2%-5.0%. The method is sensitive, reproducible, quick and adapts to the simultaneous determination of the seven synthetic pigments in cooked meat product.

  6. Solubility of {sup 238}U radionuclide from various types of soil in synthetic gastrointestinal fluids using “US in vitro” digestion method

    Energy Technology Data Exchange (ETDEWEB)

    Rashid, Nur Shahidah Abdul; Sarmani, Sukiman; Majid, Amran Ab.; Mohamed, Faizal; Siong, Khoo Kok, E-mail: khoo@ukm.edu.my [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia (UKM), 43600 Bangi, Selangor (Malaysia)

    2015-04-29

    238U radionuclide is a naturally occuring radioactive material that can be found in soil. In this study, the solubility of 238U radionuclide obtained from various types of soil in synthetic gastrointestinal fluids was analysed by “US P in vitro” digestion method. The synthetic gastrointestinal fluids were added to the samples with well-ordered, mixed throughly and incubated according to the human physiology digestive system. The concentration of 238U radionuclide in the solutions extracted from the soil was measured using Induced Coupling Plasma Mass Spectrometer (ICP-MS). The concentration of 238U radionuclide from the soil samples in synthetic gastrointestinal fluids showed different values due to different homogenity of soil types and chemical reaction of 238U radionuclide. In general, the solubility of 238U radionuclide in gastric fluid was higher (0.050 – 0.209 ppm) than gastrointestinal fluids (0.024 – 0.050 ppm). It could be concluded that the US P in vitro digestion method is practicle for estimating the solubility of 238U radionuclide from soil materials and could be useful for monitoring and risk assessment purposes applying to environmental, health and contaminated soil samples.

  7. Electrochemical characteristics of silver- and nickel-coated synthetic graphite prepared by a gas suspension spray coating method for the anode of lithium secondary batteries

    International Nuclear Information System (INIS)

    Choi, Won Chang; Byun, Dongjin; Lee, Joong Kee; Cho, Byung won

    2004-01-01

    Four kinds of synthetic graphite coated with silver and nickel for the anodes of lithium secondary batteries were prepared by a gas suspension spray coating method. The electrode coated with silver showed higher charge-discharge capacities due to a Ag-Li alloy, but rate capability decreased at higher charge-discharge rate. This result can be explained by the formation of an artificial Ag oxidation film with higher impedance, this lowered the rate capability at high charge-discharge rate due to its low electrical conductivity. Rate capability is improved, however, by coating nickel and silver together on the surface of synthetic graphite. The nickel which is inactive with oxidation reaction plays an important role as a conducting agent which enhanced the conductivity of the electrode

  8. An Efficient Numerical Method for Computing Synthetic Seismograms for a Layered Half-space with Sources and Receivers at Close or Same Depths

    Science.gov (United States)

    Zhang, H.-m.; Chen, X.-f.; Chang, S.

    - It is difficult to compute synthetic seismograms for a layered half-space with sources and receivers at close to or the same depths using the generalized R/T coefficient method (Kennett, 1983; Luco and Apsel, 1983; Yao and Harkrider, 1983; Chen, 1993), because the wavenumber integration converges very slowly. A semi-analytic method for accelerating the convergence, in which part of the integration is implemented analytically, was adopted by some authors (Apsel and Luco, 1983; Hisada, 1994, 1995). In this study, based on the principle of the Repeated Averaging Method (Dahlquist and Björck, 1974; Chang, 1988), we propose an alternative, efficient, numerical method, the peak-trough averaging method (PTAM), to overcome the difficulty mentioned above. Compared with the semi-analytic method, PTAM is not only much simpler mathematically and easier to implement in practice, but also more efficient. Using numerical examples, we illustrate the validity, accuracy and efficiency of the new method.

  9. Does Certification Change the Trajectory of Tree Cover in Working Forests in The Tropics? An Application of the Synthetic Control Method of Impact Evaluation

    Directory of Open Access Journals (Sweden)

    Pushpendra Rana

    2018-02-01

    Full Text Available Certification by the Forest Stewardship Council (FSC remains rare among forest management units (FMUs in natural tropical forests, presenting a challenge for impact evaluation. We demonstrate application of the synthetic control method (SCM to evaluate the impact of FSC certification on a single FMU in each of three tropical forest landscapes. Specifically, we estimate causal effects on tree cover change from the year of certification to 2012 using SCM and open-access, pan-tropical datasets. We demonstrate that it is possible to construct synthetic controls, or weighted combinations of non-certified FMUs, that followed the same path of tree cover change as the certified FMUs before certification. By using these synthetic controls to measure counterfactual tree cover change after certification, we find that certification reduced tree cover loss in the most recent year (2012 in all three landscapes. However, placebo tests show that in one case, this effect was not significant, and in another case, it followed several years in which certification had the opposite effect (increasing tree cover loss. We conclude that SCM has promise for identifying temporally varying impacts of small-N interventions on land use and land cover change.

  10. Tissue Harmonic Synthetic Aperture Imaging

    DEFF Research Database (Denmark)

    Rasmussen, Joachim

    The main purpose of this PhD project is to develop an ultrasonic method for tissue harmonic synthetic aperture imaging. The motivation is to advance the field of synthetic aperture imaging in ultrasound, which has shown great potentials in the clinic. Suggestions for synthetic aperture tissue...... system complexity compared to conventional synthetic aperture techniques. In this project, SASB is sought combined with a pulse inversion technique for 2nd harmonic tissue harmonic imaging. The advantages in tissue harmonic imaging (THI) are expected to further improve the image quality of SASB...

  11. Synthetic Metabolic Pathways

    DEFF Research Database (Denmark)

    topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Synthetic Metabolic Pathways: Methods and Protocols aims to ensure successful results in the further study...

  12. Natural - synthetic - artificial!

    DEFF Research Database (Denmark)

    Nielsen, Peter E

    2010-01-01

    The terms "natural," "synthetic" and "artificial" are discussed in relation to synthetic and artificial chromosomes and genomes, synthetic and artificial cells and artificial life.......The terms "natural," "synthetic" and "artificial" are discussed in relation to synthetic and artificial chromosomes and genomes, synthetic and artificial cells and artificial life....

  13. Synthetic Cannabinoids.

    Science.gov (United States)

    Mills, Brooke; Yepes, Andres; Nugent, Kenneth

    2015-07-01

    Synthetic cannabinoids (SCBs), also known under the brand names of "Spice," "K2," "herbal incense," "Cloud 9," "Mojo" and many others, are becoming a large public health concern due not only to their increasing use but also to their unpredictable toxicity and abuse potential. There are many types of SCBs, each having a unique binding affinity for cannabinoid receptors. Although both Δ-tetrahydrocannabinol (THC) and SCBs stimulate the same receptors, cannabinoid receptor 1 (CB1) and cannabinoid receptor 2 (CB2), studies have shown that SCBs are associated with higher rates of toxicity and hospital admissions than is natural cannabis. This is likely due to SCBs being direct agonists of the cannabinoid receptors, whereas THC is a partial agonist. Furthermore, the different chemical structures of SCBs found in Spice or K2 may interact in unpredictable ways to elicit previously unknown, and the commercial products may have unknown contaminants. The largest group of users is men in their 20s who participate in polydrug use. The most common reported toxicities with SCB use based on studies using Texas Poison Control records are tachycardia, agitation and irritability, drowsiness, hallucinations, delusions, hypertension, nausea, confusion, dizziness, vertigo and chest pain. Acute kidney injury has also been strongly associated with SCB use. Treatment mostly involves symptom management and supportive care. More research is needed to identify which contaminants are typically found in synthetic marijuana and to understand the interactions between different SBCs to better predict adverse health outcomes.

  14. Synthesis, characterization and application of a nano-manganese-catalyst as an efficient solid catalyst for solvent free selective oxidation of ethylbenzene, cyclohexene, and benzylalcohol

    Science.gov (United States)

    Habibi, Davood; Faraji, Ali Reza

    2013-07-01

    The object of this study is to synthesize the heterogeneous Mn-nano-catalyst (MNC) which has been covalently anchored on a modified nanoscaleSiO2/Al2O3, and characterized by FT-IR, UV-Vis, CHN elemental analysis, EDS, TEM, and EDX. The method is efficient for the highly selective oxidation of ethylbenzene, cyclohexene, and benzylalcohol without the need to any solvents, using tert-butyl hydroperoxide (TBHP) as an oxidant. Oxidation of ethylbenzene, cyclohexene, and benzylalcohol gave acetophenone, 2-cyclohexene-1-one and benzaldehyde, respectively, as major products. Reaction conditions have been optimized by considering the effect of various factors such as reaction time, amounts of substrates and oxidant, Mn-nano-catalyst and application of various solvents.

  15. A Synthetic Method for Atmospheric Diffusion Simulation and Environmental Impact Assessment of Accidental Pollution in the Chemical Industry in a WEBGIS Context

    Directory of Open Access Journals (Sweden)

    Haochen Ni

    2014-09-01

    Full Text Available The chemical industry poses a potential security risk to factory personnel and neighboring residents. In order to mitigate prospective damage, a synthetic method must be developed for an emergency response. With the development of environmental numeric simulation models, model integration methods, and modern information technology, many Decision Support Systems (DSSs have been established. However, existing systems still have limitations, in terms of synthetic simulation and network interoperation. In order to resolve these limitations, the matured simulation model for chemical accidents was integrated into the WEB Geographic Information System (WEBGIS platform. The complete workflow of the emergency response, including raw data (meteorology information, and accident information management, numeric simulation of different kinds of accidents, environmental impact assessments, and representation of the simulation results were achieved. This allowed comprehensive and real-time simulation of acute accidents in the chemical industry. The main contribution of this paper is that an organizational mechanism of the model set, based on the accident type and pollutant substance; a scheduling mechanism for the parallel processing of multi-accident-type, multi-accident-substance, and multi-simulation-model; and finally a presentation method for scalar and vector data on the web browser on the integration of a WEB Geographic Information System (WEBGIS platform. The outcomes demonstrated that this method could provide effective support for deciding emergency responses of acute chemical accidents.

  16. A synthetic method for atmospheric diffusion simulation and environmental impact assessment of accidental pollution in the chemical industry in a WEBGIS context.

    Science.gov (United States)

    Ni, Haochen; Rui, Yikang; Wang, Jiechen; Cheng, Liang

    2014-09-05

    The chemical industry poses a potential security risk to factory personnel and neighboring residents. In order to mitigate prospective damage, a synthetic method must be developed for an emergency response. With the development of environmental numeric simulation models, model integration methods, and modern information technology, many Decision Support Systems (DSSs) have been established. However, existing systems still have limitations, in terms of synthetic simulation and network interoperation. In order to resolve these limitations, the matured simulation model for chemical accidents was integrated into the WEB Geographic Information System (WEBGIS) platform. The complete workflow of the emergency response, including raw data (meteorology information, and accident information) management, numeric simulation of different kinds of accidents, environmental impact assessments, and representation of the simulation results were achieved. This allowed comprehensive and real-time simulation of acute accidents in the chemical industry. The main contribution of this paper is that an organizational mechanism of the model set, based on the accident type and pollutant substance; a scheduling mechanism for the parallel processing of multi-accident-type, multi-accident-substance, and multi-simulation-model; and finally a presentation method for scalar and vector data on the web browser on the integration of a WEB Geographic Information System (WEBGIS) platform. The outcomes demonstrated that this method could provide effective support for deciding emergency responses of acute chemical accidents.

  17. A Synthetic Method for Atmospheric Diffusion Simulation and Environmental Impact Assessment of Accidental Pollution in the Chemical Industry in a WEBGIS Context

    Science.gov (United States)

    Ni, Haochen; Rui, Yikang; Wang, Jiechen; Cheng, Liang

    2014-01-01

    The chemical industry poses a potential security risk to factory personnel and neighboring residents. In order to mitigate prospective damage, a synthetic method must be developed for an emergency response. With the development of environmental numeric simulation models, model integration methods, and modern information technology, many Decision Support Systems (DSSs) have been established. However, existing systems still have limitations, in terms of synthetic simulation and network interoperation. In order to resolve these limitations, the matured simulation model for chemical accidents was integrated into the WEB Geographic Information System (WEBGIS) platform. The complete workflow of the emergency response, including raw data (meteorology information, and accident information) management, numeric simulation of different kinds of accidents, environmental impact assessments, and representation of the simulation results were achieved. This allowed comprehensive and real-time simulation of acute accidents in the chemical industry. The main contribution of this paper is that an organizational mechanism of the model set, based on the accident type and pollutant substance; a scheduling mechanism for the parallel processing of multi-accident-type, multi-accident-substance, and multi-simulation-model; and finally a presentation method for scalar and vector data on the web browser on the integration of a WEB Geographic Information System (WEBGIS) platform. The outcomes demonstrated that this method could provide effective support for deciding emergency responses of acute chemical accidents. PMID:25198686

  18. Solvent-free preparation of polylactic acid fibers by melt electrospinning using umbrella-like spray head and alleviation of problematic thermal degradation

    Directory of Open Access Journals (Sweden)

    Liu Yong

    2012-01-01

    Full Text Available Melt electrospinning is an even simpler and safer method compared with the solution electrospinning in the production of ultra-fine fibers. Polylactic acid (PLA is a biodegradable and resorbable aliphatic ester that has received significant attention in recent years. PLA is easily degradable at high temperature in the process of melt electrospinning. High efficient fibers were made using our designed umbrella-like spray head spinning facility in this work. To find how to alleviate the problematic degradation and what factors could be relevant to degradation, temperature, relative molecular mass, Differential Scanning Calorimeter and X-ray Diffraction patterns before and after spinning were investigated and compared with each other. Results showed that fibers were facile shorten and fractured when spun at 245°C while the relative molecular mass of PLA fibers decreased markedly as compared with that spun at 210°C. To hinder the degradation, couple of experimental efforts were implemented with adding antioxidants, raising spinning voltage, lowering temperature, and reducing residence time. After such efforts, it was observed that the relative molecular mass of the PLA fibers was higher than those without inputting any efforts. The effect of antioxidant 1010 was found the most promising on the alleviation of PLA problematic thermal degradation.

  19. A new magnetically recoverable catalyst promoting the synthesis of 1,4-dihydropyridine and polyhydroquinoline derivatives via the Hantzsch condensation under solvent-free conditions

    Energy Technology Data Exchange (ETDEWEB)

    Taheri, Narges; Heidarizadeh, Fariba; Kiasat, Alireza

    2017-04-15

    In the current study, 1,4-dihydropyridine and polyhydroquinoline derivatives were efficiently synthesized under solvent-less conditions with a magnetic catalyst containing novel acidic ionic liquid functionalized silica modified Fe{sub 3}O{sub 4} nanoparticles through a four component combination of β-ketoester, aldehydes and ammonium acetate (1, 2, 2). Several approaches have been reported for synthesizing these derivatives, while each of these approaches have some weaknesses including long time of reaction, excess of volatile organic solvent, low efficiency, costly reagents, complex operation, high temperatures, production of a number of side products, and difficult catalyst recovery. The simple operation, short time of reaction (5–30 min) and the high efficiency (80–94%) are the special advantages of this technique. The immobilized catalyst exhibited an appropriate thermal stability and excellent recyclability. Different methods such as FT-IR, SEM, EDX, TGA-DTA, and VSM were used to confirm and characterize the catalyst. - Highlights: • A new acidic ionic liquid were first synthesized and applied in both symmetric and asymmetric hantzsch reactions for preparing 1, 4-dihydropyridine and polyhydroquinoline derivatives with high efficiencies under solvent-less conditions. • The immobilized catalyst exhibited an appropriate thermal stability and excellent recyclability. • The nanomagnetic catalyst could be recovered from solution with an external magnet at once, allowing undemanding recovery and reuse. • The catalyst was reused for five times with no considerable decrease in catalytic activity.

  20. Encaging palladium(0 in layered double hydroxide: A sustainable catalyst for solvent-free and ligand-free Heck reaction in a ball mill

    Directory of Open Access Journals (Sweden)

    Wei Shi

    2017-08-01

    Full Text Available In this paper, the synthesis of a cheap, reusable and ligand-free Pd catalyst supported on MgAl layered double hydroxides (Pd/MgAl-LDHs by co-precipitation and reduction methods is described. The catalyst was used in Heck reactions under high-speed ball milling (HSBM conditions at room temperature. The effects of milling-ball size, milling-ball filling degree, reaction time, rotation speed and grinding auxiliary category, which would influence the yields of mechanochemical Heck reactions, were investigated in detail. The characterization results of XRD, ICP–MS and XPS suggest that Pd/MgAl-LDHs have excellent textural properties with zero-valence Pd on its layers. The reaction results indicate that the catalyst could be utilized in HSBM systems to afford a wide range of Heck coupling products in satisfactory yields. Furthermore, this catalyst could be easily recovered and reused for at least five times without significant loss of catalytic activity.

  1. CHARACTERISTICS OF METABOLISM AND WORKING OUT THE METHODS OF DETERMINATION OF SYNTHETIC CANNABINOID THJ-2201 IN THE URINE OF LABORATORY ANIMALS

    Directory of Open Access Journals (Sweden)

    D. Yu. Apushkin

    2017-01-01

    Full Text Available The proposed article touches upon the study of metabolism of new synthetic cannabinoids. In the work the data on synthetic cannabinoid 3-(Naftalin-1-yloxomethyl-1-(5-fluoropentyl-1H-indazole (THJ-2201, as well as the products of its metabolism in the laboratory rats of the Wistar line are given, i. e. Mass spectra and chromatograms of the native substance (THJ-2201 obtained by high-performance liquid chromatography with mass-selective detection (HPLC-MS and gas chromatography with mass-selective detection (GC-MS are given. The paper presents a complex technique for qualitative determination of cannabimimetics THJ-2201 and methods for obtaining a metabolic profile model for the test substance that can be useful for the tasks of qualitative detection and detection of new psychoactive substances in biological objects for the purposes of forensic analysis.The aim of this work was to develop methods for determination of the test substance (THJ-2201 and its metabolites in the urine of laboratory animals, as well as the study of the metabolic characteristics of synthetic cannabinoids on the whole.Materials and methods. The following equipment was used for the experiment: a liquid chromatograph from the firm “Shimadzu LCMC-8050” in combination with a mass-selective detector. The detector type is a triple quadrupole with a double ionization source (chemical ionization at atmospheric pressure and electrospray. The separation of the substances occurred in a chromatographic column (the material is stainless steel, the characteristics are: 150 * 3.0 mm, Luna 3uC18 (2, 100A. The Sorbent is reversed-phase. The investigations were carried out on Agilent 7890A gas chromatograph with Agilent 5975C mass spectrometer and a 103 polar HP-5ms column of 28 m × 0.25 mm. The animals were mature male white laboratory rats of the Wistar line, aged 4–6 months, weighing 190-230 grams.Results and discussion. As a result of the studies, a comprehensive methodology for

  2. Synthetic biology and occupational risk.

    Science.gov (United States)

    Howard, John; Murashov, Vladimir; Schulte, Paul

    2017-03-01

    Synthetic biology is an emerging interdisciplinary field of biotechnology that involves applying the principles of engineering and chemical design to biological systems. Biosafety professionals have done an excellent job in addressing research laboratory safety as synthetic biology and gene editing have emerged from the larger field of biotechnology. Despite these efforts, risks posed by synthetic biology are of increasing concern as research procedures scale up to industrial processes in the larger bioeconomy. A greater number and variety of workers will be exposed to commercial synthetic biology risks in the future, including risks to a variety of workers from the use of lentiviral vectors as gene transfer devices. There is a need to review and enhance current protection measures in the field of synthetic biology, whether in experimental laboratories where new advances are being researched, in health care settings where treatments using viral vectors as gene delivery systems are increasingly being used, or in the industrial bioeconomy. Enhanced worker protection measures should include increased injury and illness surveillance of the synthetic biology workforce; proactive risk assessment and management of synthetic biology products; research on the relative effectiveness of extrinsic and intrinsic biocontainment methods; specific safety guidance for synthetic biology industrial processes; determination of appropriate medical mitigation measures for lentiviral vector exposure incidents; and greater awareness and involvement in synthetic biology safety by the general occupational safety and health community as well as by government occupational safety and health research and regulatory agencies.

  3. Synthetic Brainbows

    KAUST Repository

    Wan, Y.

    2013-06-01

    Brainbow is a genetic engineering technique that randomly colorizes cells. Biological samples processed with this technique and imaged with confocal microscopy have distinctive colors for individual cells. Complex cellular structures can then be easily visualized. However, the complexity of the Brainbow technique limits its applications. In practice, most confocal microscopy scans use different florescence staining with typically at most three distinct cellular structures. These structures are often packed and obscure each other in rendered images making analysis difficult. In this paper, we leverage a process known as GPU framebuffer feedback loops to synthesize Brainbow-like images. In addition, we incorporate ID shuffing and Monte-Carlo sampling into our technique, so that it can be applied to single-channel confocal microscopy data. The synthesized Brainbow images are presented to domain experts with positive feedback. A user survey demonstrates that our synthetic Brainbow technique improves visualizations of volume data with complex structures for biologists.

  4. Synthetic Botany.

    Science.gov (United States)

    Boehm, Christian R; Pollak, Bernardo; Purswani, Nuri; Patron, Nicola; Haseloff, Jim

    2017-07-05

    Plants are attractive platforms for synthetic biology and metabolic engineering. Plants' modular and plastic body plans, capacity for photosynthesis, extensive secondary metabolism, and agronomic systems for large-scale production make them ideal targets for genetic reprogramming. However, efforts in this area have been constrained by slow growth, long life cycles, the requirement for specialized facilities, a paucity of efficient tools for genetic manipulation, and the complexity of multicellularity. There is a need for better experimental and theoretical frameworks to understand the way genetic networks, cellular populations, and tissue-wide physical processes interact at different scales. We highlight new approaches to the DNA-based manipulation of plants and the use of advanced quantitative imaging techniques in simple plant models such as Marchantia polymorpha. These offer the prospects of improved understanding of plant dynamics and new approaches to rational engineering of plant traits. Copyright © 2017 Cold Spring Harbor Laboratory Press; all rights reserved.

  5. Contrast source inversion (CSI) method to cross-hole radio-imaging (RIM) data - Part 2: A complex synthetic example and a case study

    Science.gov (United States)

    Li, Yongxing; Smith, Richard S.

    2018-03-01

    We present two examples of using the contrast source inversion (CSI) method to invert synthetic radio-imaging (RIM) data and field data. The synthetic model has two isolated conductors (one perfect conductor and one moderate conductor) embedded in a layered background. After inversion, we can identify the two conductors on the inverted image. The shape of the perfect conductor is better resolved than the shape of the moderate conductor. The inverted conductivity values of the two conductors are approximately the same, which demonstrates that the conductivity values cannot be correctly interpreted from the CSI results. The boundaries and the tilts of the upper and the lower conductive layers on the background can also be inferred from the results, but the centre parts of conductive layers in the inversion results are more conductive than the parts close to the boreholes. We used the straight-ray tomographic imaging method and the CSI method to invert the RIM field data collected using the FARA system between two boreholes in a mining area in Sudbury, Canada. The RIM data include the amplitude and the phase data collected using three frequencies: 312.5 kHz, 625 kHz and 1250 kHz. The data close to the ground surface have high amplitude values and complicated phase fluctuations, which are inferred to be contaminated by the reflected or refracted electromagnetic (EM) fields from the ground surface, and are removed for all frequencies. Higher-frequency EM waves attenuate more quickly in the subsurface environment, and the locations where the measurements are dominated by noise are also removed. When the data are interpreted with the straight-ray method, the images differ substantially for different frequencies. In addition, there are some unexpected features in the images, which are difficult to interpret. Compared with the straight-ray imaging results, the inversion results with the CSI method are more consistent for different frequencies. On the basis of what we learnt

  6. SHORT COMMUNICATION A SOLVENT FREE AND SELECTIVE ...

    African Journals Online (AJOL)

    Preferred Customer

    Selective protection of 1,2-propanediol (1n) with dimethoxytrityl chloride and triethylamine under microwave irradiation. In a beaker, a mixture of dimethoxytrityl chloride (4.06 g, 12 mmol) and triethylamine (3.5 mL, 25 mmol) was taken and 1,2-propanediol 1n (0.76 g, 10 mmol) was added to this mixture and was irradiated ...

  7. Enantioselective solvent-free Robinson annulation reactions

    Indian Academy of Sciences (India)

    Unknown

    solvents to effect an asymmetric synthesis is an important step forward towards ... In continuation of our preliminary communication 2, we wish to ..... formation of chiral enamine 74 from the reaction of S-proline with pro-R carbonyl group.

  8. Dynamics of solvent-free grafted nanoparticles

    KAUST Repository

    Chremos, Alexandros; Panagiotopoulos, Athanassios Z.; Koch, Donald L.

    2012-01-01

    as well as grafted nanoparticles in a melt were compared to a reference system of bare (ungrafted) particles in a melt. Whereas longer chains lead to a larger hydrodynamic radius and lower relative diffusivity for grafted particles in a melt, bulk solvent

  9. Metal Nanoparticles Covered with a Metal-Organic Framework: From One-Pot Synthetic Methods to Synergistic Energy Storage and Conversion Functions.

    Science.gov (United States)

    Kobayashi, Hirokazu; Mitsuka, Yuko; Kitagawa, Hiroshi

    2016-08-01

    Hybrid materials composed of metal nanoparticles and metal-organic frameworks (MOFs) have attracted much attention in many applications, such as enhanced gas storage and catalytic, magnetic, and optical properties, because of the synergetic effects between the metal nanoparticles and MOFs. In this Forum Article, we describe our recent progress on novel synthetic methods to produce metal nanoparticles covered with a MOF (metal@MOF). We first present Pd@copper(II) 1,3,5-benzenetricarboxylate (HKUST-1) as a novel hydrogen-storage material. The HKUST-1 coating on Pd nanocrystals results in a remarkably enhanced hydrogen-storage capacity and speed in the Pd nanocrystals, originating from charge transfer from Pd nanocrystals to HKUST-1. Another material, Pd-Au@Zn(MeIM)2 (ZIF-8, where HMeIM = 2-methylimidazole), exhibits much different catalytic activity for alcohol oxidation compared with Pd-Au nanoparticles, indicating a design guideline for the development of composite catalysts with high selectivity. A composite material composed of Cu nanoparticles and Cr3F(H2O)2O{C6H3(CO2)3}2 (MIL-100-Cr) demonstrates higher catalytic activity for CO2 reduction into methanol than Cu/γ-Al2O3. We also present novel one-pot synthetic methods to produce composite materials including Pd/ZIF-8 and Ni@Ni2(dhtp) (MOF-74, where H4dhtp = 2,5-dihydroxyterephthalic acid).

  10. Synthetic Aperture Sequential Beamforming

    DEFF Research Database (Denmark)

    Kortbek, Jacob; Jensen, Jørgen Arendt; Gammelmark, Kim Løkke

    2008-01-01

    A synthetic aperture focusing (SAF) technique denoted Synthetic Aperture Sequential Beamforming (SASB) suitable for 2D and 3D imaging is presented. The technique differ from prior art of SAF in the sense that SAF is performed on pre-beamformed data contrary to channel data. The objective is to im......A synthetic aperture focusing (SAF) technique denoted Synthetic Aperture Sequential Beamforming (SASB) suitable for 2D and 3D imaging is presented. The technique differ from prior art of SAF in the sense that SAF is performed on pre-beamformed data contrary to channel data. The objective...... is to improve and obtain a more range independent lateral resolution compared to conventional dynamic receive focusing (DRF) without compromising frame rate. SASB is a two-stage procedure using two separate beamformers. First a set of Bmode image lines using a single focal point in both transmit and receive...... is stored. The second stage applies the focused image lines from the first stage as input data. The SASB method has been investigated using simulations in Field II and by off-line processing of data acquired with a commercial scanner. The performance of SASB with a static image object is compared with DRF...

  11. Synthetic Astrobiology

    Science.gov (United States)

    Rothschild, Lynn J.

    2017-01-01

    "Are we alone?" is one of the primary questions of astrobiology, and whose answer defines our significance in the universe. Unfortunately, this quest is hindered by the fact that we have only one confirmed example of life, that of earth. While this is enormously helpful in helping to define the minimum envelope for life, it strains credulity to imagine that life, if it arose multiple times, has not taken other routes. To help fill this gap, our lab has begun using synthetic biology - the design and construction of new biological parts and systems and the redesign of existing ones for useful purposes - as an enabling technology. One theme, the "Hell Cell" project, focuses on creating artificial extremophiles in order to push the limits for Earth life, and to understand how difficult it is for life to evolve into extreme niches. In another project, we are re-evolving biotic functions using only the most thermodynamically stable amino acids in order to understand potential capabilities of an early organism with a limited repertoire of amino acids.

  12. Defect-rich Ni-Ti layered double hydroxide as a highly efficient support for Au nanoparticles in base-free and solvent-free selective oxidation of benzyl alcohol.

    Science.gov (United States)

    Liu, Mengran; Fan, Guoli; Yu, Jiaying; Yang, Lan; Li, Feng

    2018-04-17

    Tuning the surface properties of supported metal catalysts is of vital importance for governing their catalytic performances in nanocatalysis. Here, we report highly dispersed nanometric gold nanoparticles (NPs) supported on Ni-Ti layered double hydroxides (NiTi-LDHs), which were employed in solvent-free and base-free selective oxidation of benzyl alcohol. A series of characterization techniques demonstrated that defect-rich NiTi-LDHs could efficiently stabilize Au NPs and decrease surface electron density of Au NPs. The as-formed Au/NiTi-LDH catalyst with a Ni/Ti molar ratio of 3 : 1 and an Au loading of 0.71 wt% yielded the highest turnover frequency value of ∼4981 h-1 at 120 °C among tested Au/NiTi-LDH catalysts with different Ni/Ti molar ratios, along with a high benzaldehyde selectivity of 98%. High catalytic efficiency of the catalyst was mainly correlated with surface cooperation between unique defects (i.e. defective Ti3+ species and oxygen vacancies) and abundant hydroxyl groups on the brucite-like layers of the NiTi-LDH support, which could lead to the preferential adsorption and activation of an alcohol hydroxyl moiety in benzyl alcohol and oxygen molecule, as well as the formation of more electron-deficient Ni3+ and Au0 species on the catalyst surface. Furthermore, the present Au/NiTi-LDH catalyst tolerated the oxidation of a wide variety of substrate structures into the corresponding aldehydes, acids or ketones. Our primary results illustrate that defect-rich NiTi-LDHs are promising supports which can efficiently modify surface structure and electronic properties of supported metal catalysts and consequently improve their catalytic performances.

  13. A facile one-step fluorescence method for the quantitation of low-content single base deamination impurity in synthetic oligonucleotides.

    Science.gov (United States)

    Su, Xiaoye; Liang, Ruiting; Stolee, Jessica A

    2018-06-05

    Oligonucleotides are being researched and developed as potential drug candidates for the treatment of a broad spectrum of diseases. The characterization of antisense oligonucleotide (ASO) impurities caused by base mutations (e.g. deamination) which are closely related to the target ASO is a significant analytical challenge. Herein, we describe a novel one-step method, utilizing a strategy that combines fluorescence-ON detection with competitive hybridization, to achieve single base mutation quantitation in extensively modified synthetic ASOs. Given that this method is highly specific and sensitive (LoQ = 4 nM), we envision that it will find utility for screening other impurities as well as sequencing modified oligonucleotides. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. Synthetic LDL as targeted drug delivery vehicle

    Science.gov (United States)

    Forte, Trudy M [Berkeley, CA; Nikanjam, Mina [Richmond, CA

    2012-08-28

    The present invention provides a synthetic LDL nanoparticle comprising a lipid moiety and a synthetic chimeric peptide so as to be capable of binding the LDL receptor. The synthetic LDL nanoparticle of the present invention is capable of incorporating and targeting therapeutics to cells expressing the LDL receptor for diseases associated with the expression of the LDL receptor such as central nervous system diseases. The invention further provides methods of using such synthetic LDL nanoparticles.

  15. Development of new peptide synthetic method of enzyme using the extraction reactivity; Chushutsu hanno wo mochiita shiki pepuchido koso goseiho no kaihatsu

    Energy Technology Data Exchange (ETDEWEB)

    Hirata, Makoto [Oita University, Oita (Japan)

    1999-03-05

    Recently, taste and bioactivation of large number of oligopeptide become clear, and the development of the efficient synthetic method becomes the urgency. In the production process by conventional enzyme reaction which combined the crystallization, because the solubility of the product to the water which is reaction solvent is low, the yield remained at about 60%, and the problem of reaction inhibition of the product by the crystal had also been indicated. In the enzyme synthesis of the aspartame in which he is the representative oligopeptide, it aimed at the establishment of the new synthesis method which can improve yield and reaction rate, while the segregation enzyme was continuously utilized. In this synthetic method, supply of organic solvent which dissolved the substrate, extraction of the substrate from organic solvent to water phase, synthesis reaction by the segregation enzyme in water phase, extraction of the aspartame which is a product from water phase to organic solvent progress, and they continuously progress by one complete mixing reactor. The process which controlled these speeds and yields was quantitatively analyzed, and material balance style considering substrate, enzyme and mass transfer of the product and enzyme reaction speed was deduced. The optimum operating condition for improving yield and productivity of the purpose product using this solution was examined, and optimum supply concentration and agitation speed of aspartic acid which was a substrate were started, and the optimum operating condition which realizes the improvement in high yield and productivity over 90% of the aspartame was clarified. Like this, it is that this research adopts features of liquid Citrus nobilis two-phase partition for the enzyme synthesis of the aspartame, and it is considered that there is a value, because it is the creative research which verified that the productivity can be greatly improved by the utilization of the chemical-engineering technique, and

  16. Manufacturing and characterization of ceramic pigment Zn1-xFexCr2O4 by synthetic non conventional methods

    International Nuclear Information System (INIS)

    Nieves, Leidy Johana Jaramillo; Baena, Oscar Jaime Restrepo

    2012-01-01

    The ceramic pigment with structure Zn 1-x Fe x Cr 2 O 4 (x = 0, 0.5, 1) was synthesized by non conventional methods of coprecipitation assisted by ultrasound and milling of high energy. This pigment was characterized by XRD, XRF, SEM, UV-VIS spectrophotometry and CIELab colorimetry. The aim of this work was studied two alternative methods to the traditional method of synthesis, evaluating the pigment properties, varying the stoichiometry, such as structure, composition, morphology and colorimetric coordinates. The results showed that is possible to obtain the desired crystalline structure at temperatures below 1000 ° C in both cases, also expected hues are obtained according to each stoichiometry, which shows the advantages of using methods non conventional when produce these pigments, since it has a higher controlling the composition, stoichiometry and is obtained at temperatures below compared with traditional ceramic method

  17. A Novel Ship Detection Method Based on Gradient and Integral Feature for Single-Polarization Synthetic Aperture Radar Imagery

    Directory of Open Access Journals (Sweden)

    Hao Shi

    2018-02-01

    Full Text Available With the rapid development of remote sensing technologies, SAR satellites like China’s Gaofen-3 satellite have more imaging modes and higher resolution. With the availability of high-resolution SAR images, automatic ship target detection has become an important topic in maritime research. In this paper, a novel ship detection method based on gradient and integral features is proposed. This method is mainly composed of three steps. First, in the preprocessing step, a filter is employed to smooth the clutters and the smoothing effect can be adaptive adjusted according to the statistics information of the sub-window. Thus, it can retain details while achieving noise suppression. Second, in the candidate area extraction, a sea-land segmentation method based on gradient enhancement is presented. The integral image method is employed to accelerate computation. Finally, in the ship target identification step, a feature extraction strategy based on Haar-like gradient information and a Radon transform is proposed. This strategy decreases the number of templates found in traditional Haar-like methods. Experiments were performed using Gaofen-3 single-polarization SAR images, and the results showed that the proposed method has high detection accuracy and rapid computational efficiency. In addition, this method has the potential for on-board processing.

  18. Development and improvement of synthetic imaging methods for non-destructive ultrasonic testing of complex industrial components

    International Nuclear Information System (INIS)

    Bannouf, S.

    2013-01-01

    The goal of this thesis was, initially, to evaluate phased array methods for ultrasonic Non Destructive Testing (NDT) in order to propose optimizations, or to develop new alternative methods. In particular, this works deals with the detection of defects in complex geometries and/or materials parts. The TFM (Total Focusing Method) algorithm provides high resolution images and several representations of a same defect thanks to different reconstruction modes. These properties have been exploited judiciously in order to propose an adaptive imaging method in immersion configuration. We showed that TFM imaging can be used to characterize more precisely the defects. However, this method presents two major drawbacks: the large amount of data to be processed and a low signal-to-noise ratio (SNR), especially in noisy materials. We developed solutions to these two problems. To overcome the limitation caused by the large number of signals to be processed, we propose an algorithm that defines the sparse array to activate. As for the low SNR, it can be now improved by use of virtual sources and a new filtering method based on the DORT method (Decomposition of the Time Reversal Operator). (author) [fr

  19. Comparison of two synthetic methods to obtain [18F] N-(2-aminoethyl)-5-fluoropyridine-2-carboxamide, a potential MAO-B imaging tracer for PET

    International Nuclear Information System (INIS)

    Beer, H.-F.; Haeberli, M.; Ametamey, S.; Schubiger, P.A.

    1995-01-01

    The compound Ro 19-6327, N-(2-aminoethyl)-5-chloropyridine-2-carboxamide, is known to inhibit reversibly and site specifically the enzyme monoamine oxidase B (MAO-B). The 123 I-labelled iodo-analogue N-(2-aminoethyl)-5-iodopyridine-2-carboxamide (Ro 43-0463) was investigated successfully in human volunteers by means of SPET (Single Photon Emission Tomography). We developed therefore the synthesis and radiolabelling of the corresponding fluoro-analogue N-(2-aminoethyl)-5-fluoropyridine-2-carboxamide with 18 F in order to carry out PET (Positron Emission Tomography) investigations of MAO-B related neuropsychiatric diseases. For this purpose two synthetic approaches leading to the electrophilic and the nucleophilic methods of 18 F radiolabelling were undertaken. The nucleophilic approach appeared to be superior when factors such as precursor synthesis, beam time, specific activity and radiochemical purity of the product are considered. (author)

  20. Hydrolytic Stability Study of Tetranitroglycoluri (TNGU) Produced via the US Army Research Laboratory’s Synthetic Method

    Science.gov (United States)

    2015-03-01

    change in concentration of the bridgehead hydrogens at 7.78 ppm over time was plotted and the resulting data shown in the Table as well as the graph...H chamber study indicate a zero order reaction for the decomposition of the 1 produced via ARL method, the hydrolysis study conducted by the Navy...yielded a sigmoidal concentration curve. Part of the discrepancy may be due to the method used by the Navy for their humid air hydrolysis in which a

  1. Transition metal-catalyzed couplings of alkynes to 1,3-enynes: modern methods and synthetic applications.

    Science.gov (United States)

    Trost, Barry M; Masters, James T

    2016-04-21

    The metal-catalyzed coupling of alkynes is a powerful method for the preparation of 1,3-enynes, compounds that are of broad interest in organic synthesis. Numerous strategies have been developed for the homo- and cross coupling of alkynes to enynes via transition metal catalysis. In such reactions, a major issue is the control of regio-, stereo-, and, where applicable, chemoselectivity. Herein, we highlight prominent methods for the selective synthesis of these valuable compounds. Further, we illustrate the utility of these processes through specific examples of their application in carbocycle, heterocycle, and natural product syntheses.

  2. Synthetic Biology and Personalized Medicine

    Science.gov (United States)

    Jain, K.K.

    2013-01-01

    Synthetic biology, application of synthetic chemistry to biology, is a broad term that covers the engineering of biological systems with structures and functions not found in nature to process information, manipulate chemicals, produce energy, maintain cell environment and enhance human health. Synthetic biology devices contribute not only to improve our understanding of disease mechanisms, but also provide novel diagnostic tools. Methods based on synthetic biology enable the design of novel strategies for the treatment of cancer, immune diseases metabolic disorders and infectious diseases as well as the production of cheap drugs. The potential of synthetic genome, using an expanded genetic code that is designed for specific drug synthesis as well as delivery and activation of the drug in vivo by a pathological signal, was already pointed out during a lecture delivered at Kuwait University in 2005. Of two approaches to synthetic biology, top-down and bottom-up, the latter is more relevant to the development of personalized medicines as it provides more flexibility in constructing a partially synthetic cell from basic building blocks for a desired task. PMID:22907209

  3. Preparation of mesoporous Cs-POM@MOF-199@MCM-41 under two different synthetic methods for a highly oxidesulfurization of dibenzothiophene.

    Science.gov (United States)

    Li, Si-Wen; Li, Jia-Rong; Jin, Qi-Ping; Yang, Zhi; Zhang, Rong-Lan; Gao, Rui-Min; Zhao, Jian-She

    2017-09-05

    Two different synthetic methods, the direct method and the substitution method, were used to synthesize the Cs-POM@MOF-199@MCM-41 (Cs-PMM), in which the modified heteropolyacid with cesium salt has been encapsulated into the pores with the mixture of MOF and MCM-41. The structural properties of the as-prepared catalysts were characterized using various analytical techniques: powder X-ray diffraction, FT-IR, SEM, TEM, XPS and BET, confirming that the Cs-POM active species retained its Keggin structure after immobilization. The substitution method of Cs-PMM exhibited more excellent catalytic performance for oxidative desulfurization of dibenzothiophene in the presence of oxygen. Under optimal conditions, the DBT conversion rate reached up to 99.6% and could be recycled 10 times without significant loss of catalytic activity, which is mainly attributed to the slow leaching of the active heteropolyacid species from the strong fixed effect of the mixture porous materials. Copyright © 2017. Published by Elsevier B.V.

  4. Codling Moth, Cydia pomonella (L. (Lep.:Tortricidae Control by Mating Disruption Method by Synthetic Pheromones in Khorasan Razavi Province

    Directory of Open Access Journals (Sweden)

    Hashem Kamali

    2017-03-01

    Full Text Available Introduction: Codling moth, Cydia pomonella is one of the key pests of apple in Khorasan Razavi province which annually causes severe fruit damage to apple crop. There are several ways that are used to control and prevent injury to apple products in the world. The most successful and widespread use of pheromones has been in monitoring traps. Mating disruption method by pheromones takes place when enough artificial sources of pheromone are placed in the area that the chance of finding a female by a male is high. Mating, and laying viable eggs is reduced below the point where economically significant damage occurs. Large-scale mating disruption implementation trials have yielded significant reduction in pesticide use while keeping crop damage levels acceptably low. Mating disruption works best if large areas are treated with the pheromones. Currently, chemical control is the most common method of the pest control by using insecticides. In this research, with the goal of eliminating codling moth and minimizing the use of chemical compounds on the apple fruits, the ability of artificial sex pheromones in controlling the codling moth based on mating disruption method was investigated and compared with chemical control in Ghochan County, Khorasan-e-Razavi Province, Iran, in 2013. Materials and Methods: The experiments were conducted in 20 replicates based on a CRB design. The treatments were mating disruption with pheromone dispensers mating disruption + chemical control and chemical control based on the local method. Adult moth was sampled using Delta traps with a sticky insert. 1000 pheromone, which is a two-strand wire rod was produced has been installed on trees per hectare. Pheromones were installed before the first appearance of male moths. 20 to 25 days after each pest generation, randomly 25 fruits were selected and recorded from different directions and heights base on healthy and infected fruits. Results and Discussion: The mating disruption

  5. Optimization of Catalytic Ozonation Process for Formaldehyde Mineralization from Synthetic Wastewater by Fe/MgO Nanoparticles Synthesis by Sol-Gel Method by Response Surface Model

    Directory of Open Access Journals (Sweden)

    Ghorban Asgari

    2014-09-01

    Full Text Available Background: Design experiment stages of formalin mineralization process by center composition design (CCD cause ease of work, reducing the number of samples, increasing the accuracy of optimized conditions and the interaction parameters determined during the process. The aim of this study was optimization of catalytic ozonation process for formaldehyde mineralization from synthetic wastewater by Fe/MgO nanoparticles synthesis by sol-gel method by response surface model. Methods: This experimental study was conducted in a semi-batch reactor, using a RSM by taking 3 factors in the final stage of pH (7-9, reaction time (10-20 min and catalyst dose (1.1-1.3 g/L was investigated. Synthesis of nanoparticles was done by sol-gel method. The results were analyzed by Design Expert 7.0.1 software. Results: The results showed that the process was dependent on the parameters studied and changing each parameter, affected the process efficiency and other parameters. The optimum conditions predicted for the process was 86.51% of mineralization efficiency. Optimum condition included pH=8.82, reaction time of 20 minute and catalyst dose of 1.3 g/L. The correlation coefficient for the process was determined 0.91. Conclusion: Using a statistical model could reduce the number of experiments, the accuracy and the prediction process. The catalytic ozonation process has the ability to remove formaldehyde with high efficiency and the process was environmental friendly.

  6. Non-metal single/dual doped carbon quantum dots: a general flame synthetic method and electro-catalytic properties

    Science.gov (United States)

    Han, Yuzhi; Tang, Di; Yang, Yanmei; Li, Chuanxi; Kong, Weiqian; Huang, Hui; Liu, Yang; Kang, Zhenhui

    2015-03-01

    A combustion flame method is developed for the convenient and scalable fabrication of single- and dual-doped carbon quantum dots (CQDs) (N-CQDs, B-CQDs, P-CQDs, and S-CQDs and dual-doped B,N-CQDs, P,N-CQDs, and S,N-CQDs), and the doping contents can be easily adjusted by simply changing the concentrations of precursors in ethanol. These single/dual-doped CQDs, especially B,N-CQDs, show high catalytic activities for the oxygen reduction reaction.A combustion flame method is developed for the convenient and scalable fabrication of single- and dual-doped carbon quantum dots (CQDs) (N-CQDs, B-CQDs, P-CQDs, and S-CQDs and dual-doped B,N-CQDs, P,N-CQDs, and S,N-CQDs), and the doping contents can be easily adjusted by simply changing the concentrations of precursors in ethanol. These single/dual-doped CQDs, especially B,N-CQDs, show high catalytic activities for the oxygen reduction reaction. Electronic supplementary information (ESI) available: TEM images, UV-Vis absorption, PL, Raman, FTIR, XPS, CV, and LSV data of single/dual doped CQDs, a table for the calculated mass concentrations of different atoms in various B, N, P or S containing CQDs and a table for summary of the ORR performance of various catalysts in an O2-saturated 0.1 M KOH solution. See DOI: 10.1039/c4nr07116f

  7. Highly efficient removal of arsenic metal ions with high superficial area hollow magnetite nanoparticles synthetized by AACVD method

    Energy Technology Data Exchange (ETDEWEB)

    Monárrez-Cordero, B.; Amézaga-Madrid, P.; Antúnez-Flores, W.; Leyva-Porras, C.; Pizá-Ruiz, P. [Centro de Investigación en Materiales Avanzados S.C., and Laboratorio Nacional de Nanotecnología, Miguel de Cervantes 120, Chihuahua, Chih. C.P. 31109 (Mexico); Miki-Yoshida, M., E-mail: mario.miki@cimav.edu.mx [Centro de Investigación en Materiales Avanzados S.C., and Laboratorio Nacional de Nanotecnología, Miguel de Cervantes 120, Chihuahua, Chih. C.P. 31109 (Mexico)

    2014-02-15

    Highlights: ► Fast and high arsenic removal efficiency, almost 100% in one minute. ► Successful synthesis of high purity magnetite hollow nanoparticles is reported. ► They were synthesized by one step aerosol assisted CVD technique. ► Detailed microstructural characterization by electron microscopy was performed. -- Abstract: New nanotechnology alternatives and methodologies have been developed in order to overcome the limitations of conventional techniques for metal ions removal from water. Currently, the removal of heavy metals requires multiple steps which include the separation and post-treatment of the generated sludge. Usually, this sludge is composed of dangerous environmental pollutants mixed with the material used for removing the metal ion. Thus, the removal of these metals becomes a challenging task. Herein we report the synthesis of magnetite nanoparticles with high specific area by the aerosol assisted chemical vapour deposition method. Deposition temperature were fixed at 450 °C and a mixture of Ar–air were used as a carrier gas, a flow of 1.0 and 0.015 L min{sup −1} were used for Ar and air, respectively. The precursor solution was a dilution of Fe (II) chloride in methanol, with different concentration 0.01, 0.05 and 0.1 mol dm{sup −3}. The crystalline structure of the nanoparticles was characterized by grazing incidence X-ray diffraction. Morphology and microstructure were analyzed by field emission scanning electron microscopy, scanning probe microscopy and transmission electron microscopy. Magnetic properties were evaluated with a vibrating sample magnetometer and specific area was measured by the Brunauer–Emmett–Teller method. To determine the removal efficiency of arsenic ion from water, several tests were carried out at six exposition times 1, 3, 5, 10, 20 and 30 min. Results showed high removal efficiency, more than 99%, in less than 1 min.

  8. A liquid chromatography-mass spectrometry method based on class characteristic fragmentation pathways to detect the class of indole-derivative synthetic cannabinoids in biological samples.

    Science.gov (United States)

    Mazzarino, Monica; de la Torre, Xavier; Botrè, Francesco

    2014-07-21

    This article describes a liquid chromatographic/tandem mass spectrometric method, based on the use of precursor ion scan as the acquisition mode, specifically developed to detect indole-derived cannabinoids (phenylacetylindoles, naphthoylindoles and benzoylindoles) in biological fluids (saliva, urine and blood). The method is designed to recognize one or more common "structural markers", corresponding to mass spectral fragments originating from the specific portion of the molecular structure that is common to the aminoalkylindole analogues and that is fundamental for their pharmacological classification. As such, the method is also suitable for detecting unknown substances, provided they contain the targeted portion of the molecular structure. The pre-treatment procedure consists in a liquid/liquid extraction step carried out at neutral pH: this is the only pretreatment in the case of analyses carried out in saliva, while it follows an enzymatic hydrolysis procedure in the case of urine samples, or a protein precipitation step in the case of blood samples. The chromatographic separation is achieved using an octadecyl reverse-phase 5 μm fused-core particle column; while the mass spectrometric detection is carried out by a triple-quadrupole instrument in positive electrospray ionization and precursor ion scan as acquisition mode, selecting, as mass spectral fragments, the indole (m/z 144), the carbonylnaphthalenyl (m/z 155) and the naphthalenyl (m/z 127) moieties. Once developed and optimized, the analytical procedure was validated in term of sensitivity (lower limits of detection in the range of 0.1-0.5 ng mL(-1)), specificity (no interference was detected at the retention times of the analytes under investigation), recovery (higher than 65% with a satisfactory repeatability: CV% lower than 10), matrix effect (lower than 30% for all the biological specimens tested), repeatability of the retention times (CV% lower than 0.1), robustness, and carry over (the positive

  9. Study of morphological and luminescent properties (TL and OSL) of ZnO nanocrystals synthetized by coprecipitation method

    Energy Technology Data Exchange (ETDEWEB)

    Soares, A.F., E-mail: alvarodefarias@hotmail.com; Tatumi, S.H., E-mail: sonia.tatumi@gmail.com; Mazzo, T.M.; Rocca, R.R.; Courrol, L.C.

    2017-06-15

    In this work, ZnO nanocrystalline phosphorus were synthesized using the method of coprecipitation, subsequently different heat treatments at 900 and 1000 °C for 2 h and 1000 °C for 4 h were performed. Afterward, Thermoluminescence (TL) and Optically Stimulated Luminescence (OSL) emissions were verified after exposure to β-radiation. Photoluminescence results showed UV and VIS emissions. Morphological studies with X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM) confirmed the crystallinity of the samples, with their well-shaped wurtzite hexagonal structures in nanoscale. ZnO calcinated at 900 °C – 2 h emitted a broad TL peak located between the 362–372 °C; for ZnO calcinated at 1000 °C – 2 h, two intense peaks were observed at 144 and 308 °C, this TL emission curve was investigated with more details using Computerized Glow Curve Deconvolution and six individual TL peaks were obtained, for sample irradiated with 40.6 Gy, corroborating with the T{sub m}-T{sub stop} results. A study of Minimum Detectable Dose (MDD) was made and a dose of (492±40) μGy was determined. CW-OSL and LM-OSL analysis were made for ZnO calcinated at 1000 °C – 2 h, allowed to verify the behaviour, and the curve existing components (fast and medium, depending on dose). As well as the calculation of the Minimum Detectable Dose for CW-OSL. - Highlights: •ZnO nanocrystals were successfully produced by the method of coprecipitation. •Grains sizes by Scherrer Equation were between 26.9–40.6 nm, corroborating with SEM. •Study of the TL emission: Computerized Glow Curve Deconvolution (CGCD) and Tm-Tstop. •TL emission of ZnO calcinated supplied the minimum detectable dose of (492±40) μGy. •Study of CW-OSL and LM-OSL with CGCD. MDD for CW-OSL evaluation of ZnO calcinated.

  10. New synthetic methods in rotenoid chemistry: [7'-13C]- and [7'-14C]-(-)-rotenone and (+-)-isorotenone

    International Nuclear Information System (INIS)

    Carson, D.; Cass, M.W.; Crombie, L.; Holden, I.; Whiting, D.A.

    1982-01-01

    A reconstructive circuit for 13 C- and 14 C-labelling of the 7'-methylene group of (-)-rotenone is described. It involves blocking the enolisable 12a-site with a trimethylsilyloxy-group, followed by removal and reintroduction of the methylene, and elision of the blocking group: the radiochemical yield is 19%. Consequences of failure to block the 12a-site in reactions with ylides are illustrated by reactions of (-)-isorotenone, (-)-rotenone, and (-)-rotenone 7'-norketone (1f) with dimethyloxosulphonium methylide, which leads to C-seco-cyclopropyl ketones. A new rotenoid synthesis from 2,2'-dihydroxydeoxybenzoins which produces the B/C-ring system directly at the correct oxidation level is described. This involves blocking of the two unwanted nucleophilic sites by ring formation. The O-methylene aldehyde is concealed as an allyl group for introduction purposes, and after removal of the blocking ring, development of the aldehyde, and base-catalysed cyclisation, (+-)-isorotenone (used as the model rotenoid) was obtained. Since 2,2'-dihydroxydeoxybenzoins are readily made by degradation of natural rotenoids, the method can be used for reconstructive isotopic labelling at C-6 and C-6a. (author)

  11. [Current development of rapid high-throughout determination technology for total components of traditional Chinese medicines and formula and synthetic immunity chip method].

    Science.gov (United States)

    He, Fu-Yuan; Deng, Kai-Wen; Zeng, Jiao-Li; Dai, Ru-Wen; Dai, Ru-Wen; Xia, Zan-Shao; Liu, Weng-Long; Shi, Ji-Lian

    2012-10-01

    establish the synthetic immunity chip method for traditional Chinese medicine and formula components.

  12. Ultrasonic vs hydrothermal method: Different approaches to convert fly ash into zeolite. How they affect the stability of synthetic products over time?

    Science.gov (United States)

    Belviso, Claudia

    2018-05-01

    The action of direct sonication (US) versus conventional hydrothermal method (HY) was investigated to determine the differences in the crystallization mechanism of zeolite formed from fly ash. The results showed that ultrasonic energy is decisive in very fast faujasite and A-type zeolite transformation into more stable sodalite phase. The data display the main presence of sodalite together with a low amount of faujasite and zeolite A after the first 3 h of sonication. The full transformation of the latter two phases into sodalite takes place after 1 h more of treatment. The samples incubated by hydrothermal process for 3 h, instead, are characterized by the main presence of faujasite and A-type zeolites. The progressive synthesis of sodalite at the expense of the other two phases begins only after 4 h of treatment. The conclusion is that the crystallization of zeolites by ultrasonic and hydrothermal method proceeds via two different mechanisms. The data also show that the two approaches affect the stability of the synthetic products in a different way over the years. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Development of an enzyme-linked immunosorbent assay-based method for measuring galactosyltransferase activity using a synthetic glycopolymer acceptor substrate.

    Science.gov (United States)

    Oubihi, M; Kitajima, K; Kobayashi, K; Adachi, T; Aoki, N; Matsuda, T

    1998-03-15

    A lectin-assisted enzyme-linked immunosorbent assay (ELISA)-based method using a synthetic glycopolymer as an acceptor substrate was developed for measuring beta 1,4-galactosyltransferase (GalT) activity. A polyacrylamide derivative having a beta-linked N-acetylglucosamine (GlcNAc beta) moiety on each monomeric unit was synthesized chemically and immobilized on a polystyrene microtiter plate as an acceptor substrate for GalT. After the plate was incubated with bovine GalT, the enzyme reaction product, beta-linked Gal residue on the polyacrylamide-bound GlcNAc residue, was detected by using Ricinus communis agglutinin 1 (RCA1), rabbit anti-RCA1 antibody, and a peroxidase-labeled anti-rabbit IgG. The lowest GalT concentration detectable by this method was about 0.5 mU/ml, which is comparable to those by the previously reported ELISA-based assays. The unique property of the glycopolymer, PAP(GlcNAc beta), of binding noncovalently but tightly to the polystyrene microtiter plate allowed the use of this acceptor substrate for the GalT activity measurement even in the presence of 1% Triton CF-54 and X-100. Our system was successfully applied to assess GalT activity in milk of various mammals.

  14. Synthetic biology, inspired by synthetic chemistry.

    Science.gov (United States)

    Malinova, V; Nallani, M; Meier, W P; Sinner, E K

    2012-07-16

    The topic synthetic biology appears still as an 'empty basket to be filled'. However, there is already plenty of claims and visions, as well as convincing research strategies about the theme of synthetic biology. First of all, synthetic biology seems to be about the engineering of biology - about bottom-up and top-down approaches, compromising complexity versus stability of artificial architectures, relevant in biology. Synthetic biology accounts for heterogeneous approaches towards minimal and even artificial life, the engineering of biochemical pathways on the organismic level, the modelling of molecular processes and finally, the combination of synthetic with nature-derived materials and architectural concepts, such as a cellular membrane. Still, synthetic biology is a discipline, which embraces interdisciplinary attempts in order to have a profound, scientific base to enable the re-design of nature and to compose architectures and processes with man-made matter. We like to give an overview about the developments in the field of synthetic biology, regarding polymer-based analogs of cellular membranes and what questions can be answered by applying synthetic polymer science towards the smallest unit in life, namely a cell. Copyright © 2012 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  15. A time-domain synthetic aperture ultrasound imaging method for material flaw quantification with validations on small-scale artificial and natural flaws.

    Science.gov (United States)

    Guan, Xuefei; He, Jingjing; Rasselkorde, El Mahjoub

    2015-02-01

    A direct time-domain reconstruction and sizing method of synthetic aperture focusing technique (SAFT) is developed to improve the spatial resolution and sizing accuracy for phased-array ultrasonic inspections. The basic idea of the reconstruction algorithm is to coherently superimpose multiple A-scan measurements, incorporating the phase information of the sampling points. The algorithm involves data mapping and in-phase summation according to time-of-flight (TOF). Data mapping refers to the process of placing each of the sampling points to a two-/three-dimensional grid that represents the geometry model of the object being inspected. The value for each of the cells of the grid is a summation of all sampling points mapped into the cell. A sizing method based on the concept of 6 dB-drop is proposed to characterize the flaw boundary. The extents, orientation and the shape of the flaw can then be inferred to provide more information for life assessment calculations. Lab experiments are performed using a 10 MHz phased-array ultrasonic transducer to collect data from a cylinder material block with closely spaced artificial flaws and from a material block with a natural flaw. The developed method is used to process the experimental data to characterize the flaws. Using the developed method, the improvement of spatial resolution is observed. Results indicate that four closely spaced 0.794 mm-diameter flat-bottomed holes are clearly identified, and the quantification of size and orientation of the natural flaw is very close to the actual measurement made from digital microscopy after cutting the testing piece apart. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Computational synthetic geometry

    CERN Document Server

    Bokowski, Jürgen

    1989-01-01

    Computational synthetic geometry deals with methods for realizing abstract geometric objects in concrete vector spaces. This research monograph considers a large class of problems from convexity and discrete geometry including constructing convex polytopes from simplicial complexes, vector geometries from incidence structures and hyperplane arrangements from oriented matroids. It turns out that algorithms for these constructions exist if and only if arbitrary polynomial equations are decidable with respect to the underlying field. Besides such complexity theorems a variety of symbolic algorithms are discussed, and the methods are applied to obtain new mathematical results on convex polytopes, projective configurations and the combinatorics of Grassmann varieties. Finally algebraic varieties characterizing matroids and oriented matroids are introduced providing a new basis for applying computer algebra methods in this field. The necessary background knowledge is reviewed briefly. The text is accessible to stud...

  17. Plant synthetic biology.

    Science.gov (United States)

    Liu, Wusheng; Stewart, C Neal

    2015-05-01

    Plant synthetic biology is an emerging field that combines engineering principles with plant biology toward the design and production of new devices. This emerging field should play an important role in future agriculture for traditional crop improvement, but also in enabling novel bioproduction in plants. In this review we discuss the design cycles of synthetic biology as well as key engineering principles, genetic parts, and computational tools that can be utilized in plant synthetic biology. Some pioneering examples are offered as a demonstration of how synthetic biology can be used to modify plants for specific purposes. These include synthetic sensors, synthetic metabolic pathways, and synthetic genomes. We also speculate about the future of synthetic biology of plants. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Synthetic Cathinones ("Bath Salts")

    Science.gov (United States)

    ... Alcohol Club Drugs Cocaine Fentanyl Hallucinogens Inhalants Heroin Marijuana MDMA (Ecstasy/Molly) Methamphetamine Opioids Over-the-Counter Medicines Prescription Medicines Steroids (Anabolic) Synthetic Cannabinoids (K2/Spice) Synthetic Cathinones (Bath Salts) Tobacco/ ...

  19. Impact of the North American Free Trade Agreement on high-fructose corn syrup supply in Canada: a natural experiment using synthetic control methods.

    Science.gov (United States)

    Barlow, Pepita; McKee, Martin; Basu, Sanjay; Stuckler, David

    2017-07-04

    Critics of free trade agreements have argued that they threaten public health, as they eliminate barriers to trade in potentially harmful products, such as sugar. Here we analyze the North American Free Trade Agreement (NAFTA), testing the hypothesis that lowering tariffs on food and beverage syrups that contain high-fructose corn syrup (HFCS) increased its use in foods consumed in Canada. We used supply data from the Food and Agriculture Organization of the United Nations to assess changes in supply of caloric sweeteners including HFCS after NAFTA. We estimate the impact of NAFTA on supply of HFCS in Canada using an innovative, quasi-experimental methodology - synthetic control methods - that creates a control group with which to compare Canada's outcomes. Additional robustness tests were performed for sample, control groups and model specification. Tariff reductions in NAFTA coincided with a 41.6 (95% confidence interval 25.1 to 58.2) kilocalorie per capita daily increase in the supply of caloric sweeteners including HFCS. This change was not observed in the control groups, including Australia and the United Kingdom, as well as a composite control of 16 countries. Results were robust to placebo tests and additional sensitivity analyses. NAFTA was strongly associated with a marked rise in HFCS supply and likely consumption in Canada. Our study provides evidence that even a seemingly modest change to product tariffs in free trade agreements can substantially alter population-wide dietary behaviour and exposure to risk factors. © 2017 Canadian Medical Association or its licensors.

  20. Water-contained surfactant-based vortex-assisted microextraction method combined with liquid chromatography for determination of synthetic antioxidants from edible oil.

    Science.gov (United States)

    Amlashi, Nadiya Ekbatani; Hadjmohammadi, Mohammad Reza; Nazari, Seyed Saman Seyed Jafar

    2014-09-26

    For the first time, a novel water-contained surfactant-based vortex-assisted microextraction method (WSVAME) was developed for the extraction of two synthetic antioxidants (t-butyl hydroquinone (TBHQ) and butylated hydroxyanisole (BHA)) from edible oil samples. The novel microextraction method is based on the injection of an aqueous solution of non-ionic surfactant, Brij-35, into the oil sample in a conical bottom glass tube to form a cloudy solution. Vortex mixing was applied to accelerate the dispersion process. After extraction and phase separation by centrifugation, the lower sediment phase was directly analyzed by HPLC. The effects of the four experimental parameters including volume and concentration of extraction solvent (aqueous solution of Brij-35), percentage of acetic acid added to the oil sample and vortex time on the extraction efficiency were studied with a full factorial design. The central composite design and multiple linear regression method were applied for the construction of the best polynomial model based on experimental recoveries. The proposed method showed good linearity within the range of 0.200-200 μg mL(-1), the square of correlation coefficient higher than 0.999 and appropriate limit of detection (0.026 and 0.020 μg mL(-1) for TBHQ and BHA, respectively), while the precision for inner-day was ≤ 3.0 (n=5) and it was ≤ 3.80 (n=5) for inter-day assay. Under the optimal condition (30 μL of 0.10 mol L(-1) Brij-35 solution as extraction solvent and vortex time 1 min), the method was successfully applied for determination of TBHQ and BHA in different commercial edible oil samples. The recoveries in all cases were above 95%, with relative standard deviations below 5%. This approach is considered as a simple, sensitive and environmentally friendly method because of biodegradability of the extraction phase and no use of organic solvent in the extraction procedure. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Geo synthetic-reinforced Pavement systems

    International Nuclear Information System (INIS)

    Zornberg, J. G.

    2014-01-01

    Geo synthetics have been used as reinforcement inclusions to improve pavement performance. while there are clear field evidence of the benefit of using geo synthetic reinforcements, the specific conditions or mechanisms that govern the reinforcement of pavements are, at best, unclear and have remained largely unmeasured. Significant research has been recently conducted with the objectives of: (i) determining the relevant properties of geo synthetics that contribute to the enhanced performance of pavement systems, (ii) developing appropriate analytical, laboratory and field methods capable of quantifying the pavement performance, and (iii) enabling the prediction of pavement performance as a function of the properties of the various types of geo synthetics. (Author)

  2. Control theory meets synthetic biology.

    Science.gov (United States)

    Del Vecchio, Domitilla; Dy, Aaron J; Qian, Yili

    2016-07-01

    The past several years have witnessed an increased presence of control theoretic concepts in synthetic biology. This review presents an organized summary of how these control design concepts have been applied to tackle a variety of problems faced when building synthetic biomolecular circuits in living cells. In particular, we describe success stories that demonstrate how simple or more elaborate control design methods can be used to make the behaviour of synthetic genetic circuits within a single cell or across a cell population more reliable, predictable and robust to perturbations. The description especially highlights technical challenges that uniquely arise from the need to implement control designs within a new hardware setting, along with implemented or proposed solutions. Some engineering solutions employing complex feedback control schemes are also described, which, however, still require a deeper theoretical analysis of stability, performance and robustness properties. Overall, this paper should help synthetic biologists become familiar with feedback control concepts as they can be used in their application area. At the same time, it should provide some domain knowledge to control theorists who wish to enter the rising and exciting field of synthetic biology. © 2016 The Author(s).

  3. Mass Spectrometric Analysis of Synthetic Organic Pigments.

    Science.gov (United States)

    Sugaya, Naeko; Takahashi, Mitsuko; Sakurai, Katsumi; Tanaka, Nobuko; Okubo, Ichiro; Kawakami, Tsuyoshi

    2018-04-18

    Though synthetic organic colorants are used in various applications nowadays, there is the concern that impurities by-produced during the manufacturing and degradation products in some of these colorants are persistent organic pollutants and carcinogens. Thus, it is important to identify the synthetic organic colorants in various products, such as commercial paints, ink, cosmetics, food, textile, and plastics. Dyes, which are soluble in water and other solvents, could be analyzed by chromatographic methods. In contrast, it is difficult to analyze synthetic organic pigments by these methods because of their insolubility. This review is an overview of mass spectrometric analysis of synthetic organic pigments by various ionization methods. We highlight a recent study of textile samples by atmospheric pressure solid analysis probe MS. Furthermore, the mass spectral features of synthetic organic pigments and their separation from other components such as paint media and plasticizers are discussed.

  4. Radioimmunoassay of synthetic steroids

    Energy Technology Data Exchange (ETDEWEB)

    Raynaud, J -P; Bucourt, R; Salmon, J

    1975-12-01

    The sensitivity of a radioimmunoassay depends on the intrinsic association constant of the interaction between ligand and antibody. Its specificity depends on the position of the chain which forms the link with the antigen. Thus, an antibody specific of estradiol has been obtained by coupling estradiol to albumin via a chain at position 7. For synthetic steroids the structure of which is sufficiency different from that of natural hormones, the requirements for a sensitive assay method not involving chromatography are simply maximum affinity and positioning of the couple at a site which does not undergo metabolic attack. These criteria were used to develop assays for R 2858 and R 2453 which obviate the need to administer radioactive product in clinical pharmacology. Cross-reaction with structural analogs may be used to assay competitors. Thus, R 2323 antibody, highly specific for endogenous steroids, may be used to assay other trienes such as R 1697 (trenbolone) and R 2010 (norgestrienone).

  5. Optimization of the reversed-phase high-performance liquid chromatographic separation of synthetic estrogenic and progestogenic steroids using the multi-criteria decision making method

    NARCIS (Netherlands)

    Smilde, A. K.; Bruins, C. H.; Doornbos, D. A.; Vink, J.

    1987-01-01

    The optimization of the reversed-phase high-performance liquid chromatographic separation of a mixture of ethynylestradiol, desogestrel and three related compounds is described. A procedure is used that allows the prediction of the capacity factors of each individual synthetic steroid, depending on

  6. Evolvable synthetic neural system

    Science.gov (United States)

    Curtis, Steven A. (Inventor)

    2009-01-01

    An evolvable synthetic neural system includes an evolvable neural interface operably coupled to at least one neural basis function. Each neural basis function includes an evolvable neural interface operably coupled to a heuristic neural system to perform high-level functions and an autonomic neural system to perform low-level functions. In some embodiments, the evolvable synthetic neural system is operably coupled to one or more evolvable synthetic neural systems in a hierarchy.

  7. [From synthetic biology to synthetic humankind].

    Science.gov (United States)

    Nouvel, Pascal

    2015-01-01

    In this paper, we propose an historical survey of the expression "synthetic biology" in order to identify its main philosophical components. The result of the analysis is then used to investigate the meaning of the notion of "synthetic man". It is shown that both notions share a common philosophical background that can be summed up by the short but meaningful assertion: "biology is technology". The analysis allows us to distinguish two notions that are often confused in transhumanist literature: the notion of synthetic man and the notion of renewed man. The consequences of this crucial distinction are discussed. Copyright © 2015 Académie des sciences. Published by Elsevier SAS. All rights reserved.

  8. US Competitiveness in Synthetic Biology.

    Science.gov (United States)

    Gronvall, Gigi Kwik

    2015-01-01

    Synthetic biology is an emerging technical field that aims to make biology easier to engineer; the field has applications in strategically important sectors for the US economy. While the United States currently leads in synthetic biology R&D, other nations are heavily investing in order to boost their economies, which will inevitably diminish the US leadership position. This outcome is not entirely negative--additional investments will expand markets--but it is critical that the US government take steps to remain competitive: There are applications from which the US population and economy may benefit; there are specific applications with importance for national defense; and US technical leadership will ensure that US experts have a leading role in synthetic biology governance, regulation, and oversight. Measures to increase competitiveness in S&T generally are broadly applicable for synthetic biology and should be pursued. However, the US government will also need to take action on fundamental issues that will affect the field's development, such as countering anti-GMO (genetically modified organism) sentiments and anti-GMO legislation. The United States should maintain its regulatory approach so that it is the product that is regulated, not the method used to create a product. At the same time, the United States needs to ensure that the regulatory framework is updated so that synthetic biology products do not fall into regulatory gaps. Finally, the United States needs to pay close attention to how synthetic biology applications may be governed internationally, such as through the Nagoya Protocol of the Convention on Biological Diversity, so that beneficial applications may be realized.

  9. Identification of Eight Synthetic Cannabinoids, Including 5F-AKB48 in Seized Herbal Products Using DART-TOF-MS and LC-QTOF-MS as Nontargeted Screening Methods.

    Science.gov (United States)

    Moore, Katherine N; Garvin, Demetra; Thomas, Brian F; Grabenauer, Megan

    2017-09-01

    Synthetic cannabinoids are sprayed onto plant material and smoked for their marijuana-like effects. Clandestine manufacturers modify synthetic cannabinoid structures by creating closely related analogs. Forensic laboratories are tasked with detection of these analog compounds, but targeted analytical methods are often thwarted by the structural modifications. Here, direct analysis in real time coupled to accurate mass time-of-flight mass spectrometry (DART-TOF-MS) in combination with liquid chromatography quadruple time-of-flight mass spectrometry (LC-QTOF-MS) are presented as a screening and nontargeted confirmation method, respectively. Methanol extracts of herbal material were run using both methods. Spectral data from four different herbal products were evaluated by comparing fragmentation pattern, accurate mass and retention time to available reference standards. JWH-018, JWH-019, AM2201, JWH-122, 5F-AKB48, AKB48-N-(4-pentenyl) analog, UR144, and XLR11 were identified in the products. Results demonstrate that DART-TOF-MS affords a useful approach for rapid screening of herbal products for the presence and identification of synthetic cannabinoids. © 2017 American Academy of Forensic Sciences.

  10. Designing synthetic biology.

    Science.gov (United States)

    Agapakis, Christina M

    2014-03-21

    Synthetic biology is frequently defined as the application of engineering design principles to biology. Such principles are intended to streamline the practice of biological engineering, to shorten the time required to design, build, and test synthetic gene networks. This streamlining of iterative design cycles can facilitate the future construction of biological systems for a range of applications in the production of fuels, foods, materials, and medicines. The promise of these potential applications as well as the emphasis on design has prompted critical reflection on synthetic biology from design theorists and practicing designers from many fields, who can bring valuable perspectives to the discipline. While interdisciplinary connections between biologists and engineers have built synthetic biology via the science and the technology of biology, interdisciplinary collaboration with artists, designers, and social theorists can provide insight on the connections between technology and society. Such collaborations can open up new avenues and new principles for research and design, as well as shed new light on the challenging context-dependence-both biological and social-that face living technologies at many scales. This review is inspired by the session titled "Design and Synthetic Biology: Connecting People and Technology" at Synthetic Biology 6.0 and covers a range of literature on design practice in synthetic biology and beyond. Critical engagement with how design is used to shape the discipline opens up new possibilities for how we might design the future of synthetic biology.

  11. A method for differentiating between vinegar produced by fermentation and vinegar made from synthetic acetic acid based on the determination of the specific 3H-radioactivity

    International Nuclear Information System (INIS)

    Schmid, E.R.; Fogy, I.; Kenndler, E.

    1978-01-01

    The applicability of the specific 3 H-radioactivity for the distinction of synthetic and biogenic vinegar was tested. The acetic acid was isolated from the vinegar as calcium acetate, and the calcium acetate was combusted at 830 0 C to CO 2 and H 2 O. The water was measured either after two destillation steps by liquid scintillation counting or after reduction to hydrogen and reaction to ethane in a gas proportional counter. The difference in the 3 H-content between the two types of vinegar in Austria is about 80-100 T.U. Since the level of acitivity is subject to appreciable annual fluctuations a series of synthetic and biogenic comparison samples always has to be included. (orig.) [de

  12. Shock compression of synthetic opal

    International Nuclear Information System (INIS)

    Inoue, A; Okuno, M; Okudera, H; Mashimo, T; Omurzak, E; Katayama, S; Koyano, M

    2010-01-01

    Structural change of synthetic opal by shock-wave compression up to 38.1 GPa has been investigated by using SEM, X-ray diffraction method (XRD), Infrared (IR) and Raman spectroscopies. Obtained information may indicate that the dehydration and polymerization of surface silanole due to high shock and residual temperature are very important factors in the structural evolution of synthetic opal by shock compression. Synthetic opal loses opalescence by 10.9 and 18.4 GPa of shock pressures. At 18.4 GPa, dehydration and polymerization of surface silanole and transformation of network structure may occur simultaneously. The 4-membered ring of TO 4 tetrahedrons in as synthetic opal may be relaxed to larger ring such as 6-membered ring by high residual temperature. Therefore, the residual temperature may be significantly high at even 18.4 GPa of shock compression. At 23.9 GPa, opal sample recovered the opalescence. Origin of this opalescence may be its layer structure by shock compression. Finally, sample fuse by very high residual temperature at 38.1 GPa and the structure closes to that of fused SiO 2 glass. However, internal silanole groups still remain even at 38.1 GPa.

  13. Assessment of synthetic image fidelity

    Science.gov (United States)

    Mitchell, Kevin D.; Moorhead, Ian R.; Gilmore, Marilyn A.; Watson, Graham H.; Thomson, Mitch; Yates, T.; Troscianko, Tomasz; Tolhurst, David J.

    2000-07-01

    Computer generated imagery is increasingly used for a wide variety of purposes ranging from computer games to flight simulators to camouflage and sensor assessment. The fidelity required for this imagery is dependent on the anticipated use - for example when used for camouflage design it must be physically correct spectrally and spatially. The rendering techniques used will also depend upon the waveband being simulated, spatial resolution of the sensor and the required frame rate. Rendering of natural outdoor scenes is particularly demanding, because of the statistical variation in materials and illumination, atmospheric effects and the complex geometric structures of objects such as trees. The accuracy of the simulated imagery has tended to be assessed subjectively in the past. First and second order statistics do not capture many of the essential characteristics of natural scenes. Direct pixel comparison would impose an unachievable demand on the synthetic imagery. For many applications, such as camouflage design, it is important that nay metrics used will work in both visible and infrared wavebands. We are investigating a variety of different methods of comparing real and synthetic imagery and comparing synthetic imagery rendered to different levels of fidelity. These techniques will include neural networks (ICA), higher order statistics and models of human contrast perception. This paper will present an overview of the analyses we have carried out and some initial results along with some preliminary conclusions regarding the fidelity of synthetic imagery.

  14. Shock compression of synthetic opal

    Science.gov (United States)

    Inoue, A.; Okuno, M.; Okudera, H.; Mashimo, T.; Omurzak, E.; Katayama, S.; Koyano, M.

    2010-03-01

    Structural change of synthetic opal by shock-wave compression up to 38.1 GPa has been investigated by using SEM, X-ray diffraction method (XRD), Infrared (IR) and Raman spectroscopies. Obtained information may indicate that the dehydration and polymerization of surface silanole due to high shock and residual temperature are very important factors in the structural evolution of synthetic opal by shock compression. Synthetic opal loses opalescence by 10.9 and 18.4 GPa of shock pressures. At 18.4 GPa, dehydration and polymerization of surface silanole and transformation of network structure may occur simultaneously. The 4-membered ring of TO4 tetrahedrons in as synthetic opal may be relaxed to larger ring such as 6-membered ring by high residual temperature. Therefore, the residual temperature may be significantly high at even 18.4 GPa of shock compression. At 23.9 GPa, opal sample recovered the opalescence. Origin of this opalescence may be its layer structure by shock compression. Finally, sample fuse by very high residual temperature at 38.1 GPa and the structure closes to that of fused SiO2 glass. However, internal silanole groups still remain even at 38.1 GPa.

  15. Shock compression of synthetic opal

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, A; Okuno, M; Okudera, H [Department of Earth Sciences, Kanazawa University Kanazawa, Ishikawa, 920-1192 (Japan); Mashimo, T; Omurzak, E [Shock Wave and Condensed Matter Research Center, Kumamoto University, Kumamoto, 860-8555 (Japan); Katayama, S; Koyano, M, E-mail: okuno@kenroku.kanazawa-u.ac.j [JAIST, Nomi, Ishikawa, 923-1297 (Japan)

    2010-03-01

    Structural change of synthetic opal by shock-wave compression up to 38.1 GPa has been investigated by using SEM, X-ray diffraction method (XRD), Infrared (IR) and Raman spectroscopies. Obtained information may indicate that the dehydration and polymerization of surface silanole due to high shock and residual temperature are very important factors in the structural evolution of synthetic opal by shock compression. Synthetic opal loses opalescence by 10.9 and 18.4 GPa of shock pressures. At 18.4 GPa, dehydration and polymerization of surface silanole and transformation of network structure may occur simultaneously. The 4-membered ring of TO{sub 4} tetrahedrons in as synthetic opal may be relaxed to larger ring such as 6-membered ring by high residual temperature. Therefore, the residual temperature may be significantly high at even 18.4 GPa of shock compression. At 23.9 GPa, opal sample recovered the opalescence. Origin of this opalescence may be its layer structure by shock compression. Finally, sample fuse by very high residual temperature at 38.1 GPa and the structure closes to that of fused SiO{sub 2} glass. However, internal silanole groups still remain even at 38.1 GPa.

  16. Synthetic Sediments and Stochastic Groundwater Hydrology

    Science.gov (United States)

    Wilson, J. L.

    2002-12-01

    For over twenty years the groundwater community has pursued the somewhat elusive goal of describing the effects of aquifer heterogeneity on subsurface flow and chemical transport. While small perturbation stochastic moment methods have significantly advanced theoretical understanding, why is it that stochastic applications use instead simulations of flow and transport through multiple realizations of synthetic geology? Allan Gutjahr was a principle proponent of the Fast Fourier Transform method for the synthetic generation of aquifer properties and recently explored new, more geologically sound, synthetic methods based on multi-scale Markov random fields. Focusing on sedimentary aquifers, how has the state-of-the-art of synthetic generation changed and what new developments can be expected, for example, to deal with issues like conceptual model uncertainty, the differences between measurement and modeling scales, and subgrid scale variability? What will it take to get stochastic methods, whether based on moments, multiple realizations, or some other approach, into widespread application?

  17. A method for differentiating between vinegar produced by fermentation and vinegar made from synthetic acetic acid based on determination of 13C/12C-isotope ratio by mass spectrometry

    International Nuclear Information System (INIS)

    Schmid, E.R.; Fogy, I.

    1978-01-01

    The 13 C/ 12 C-isotope ratio is characteristic for vinegar of fermentation and synthetic origin respectively and used for their differentiation. The acetic acid was isolated from the vinegar as calcium acetate, the calcium acetate was pyrolysed to CaCO 3 and the CO 2 was released from the CaCO 3 with H 3 PO 4 . The CO 2 was measured in a mass spectrometer with double collector. The difference in the 13 C- content between the two varieties of vinegar is 5 0 / 00 ; the accuracy of the measurement is between 0,5 0 / 00 and 1 0 / 00 . Therefore, addition of synthetic acetic acid in excess of 15-20% to fermentation vinegar can be detected by this method. (orig.) [de

  18. Method for differentiating between vinegar produced by fermentation and vinegar made from synthetic acetic acid based on determination of the /sup 13/C//sup 12/C-isotope ratio by mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, E R; Fogy, I [Vienna Univ. (Austria). Inst. fuer Analytische Chemie; Schwartz, P [International Atomic Energy Agency, Vienna (Austria)

    1978-02-01

    The /sup 13/C//sup 12/C-isotope ratio is characteristic for vinegar of fermentation and synthetic origin respectively and used for their differentiation. The acetic acid was isolated from the vinegar as calcium acetate, the calcium acetate was pyrolysed to CaCO/sub 3/ and the CO/sub 2/ was released from the CaCO/sub 3/ with H/sub 3/PO/sub 4/. The CO/sub 2/ was measured in a mass spectrometer with double collector. The difference in the /sup 13/C- content between the two varieties of vinegar is 5/sup 0///sub 00/; the accuracy of the measurement is between 0,5/sup 0///sub 00/ and 1/sup 0///sub 00/. Therefore, addition of synthetic acetic acid in excess of 15 to 20% to fermentation vinegar can be detected by this method.

  19. Synergistic Synthetic Biology: Units in Concert

    International Nuclear Information System (INIS)

    Trosset, Jean-Yves; Carbonell, Pablo

    2013-01-01

    Synthetic biology aims at translating the methods and strategies from engineering into biology in order to streamline the design and construction of biological devices through standardized parts. Modular synthetic biology devices are designed by means of an adequate elimination of cross-talk that makes circuits orthogonal and specific. To that end, synthetic constructs need to be adequately optimized through in silico modeling by choosing the right complement of genetic parts and by experimental tuning through directed evolution and craftsmanship. In this review, we consider an additional and complementary tool available to the synthetic biologist for innovative design and successful construction of desired circuit functionalities: biological synergies. Synergy is a prevalent emergent property in biological systems that arises from the concerted action of multiple factors producing an amplification or cancelation effect compared with individual actions alone. Synergies appear in domains as diverse as those involved in chemical and protein activity, polypharmacology, and metabolic pathway complementarity. In conventional synthetic biology designs, synergistic cross-talk between parts and modules is generally attenuated in order to verify their orthogonality. Synergistic interactions, however, can induce emergent behavior that might prove useful for synthetic biology applications, like in functional circuit design, multi-drug treatment, or in sensing and delivery devices. Synergistic design principles are therefore complementary to those coming from orthogonal design and may provide added value to synthetic biology applications. The appropriate modeling, characterization, and design of synergies between biological parts and units will allow the discovery of yet unforeseeable, novel synthetic biology applications.

  20. Synergistic Synthetic Biology: Units in Concert

    Science.gov (United States)

    Trosset, Jean-Yves; Carbonell, Pablo

    2013-01-01

    Synthetic biology aims at translating the methods and strategies from engineering into biology in order to streamline the design and construction of biological devices through standardized parts. Modular synthetic biology devices are designed by means of an adequate elimination of cross-talk that makes circuits orthogonal and specific. To that end, synthetic constructs need to be adequately optimized through in silico modeling by choosing the right complement of genetic parts and by experimental tuning through directed evolution and craftsmanship. In this review, we consider an additional and complementary tool available to the synthetic biologist for innovative design and successful construction of desired circuit functionalities: biological synergies. Synergy is a prevalent emergent property in biological systems that arises from the concerted action of multiple factors producing an amplification or cancelation effect compared with individual actions alone. Synergies appear in domains as diverse as those involved in chemical and protein activity, polypharmacology, and metabolic pathway complementarity. In conventional synthetic biology designs, synergistic cross-talk between parts and modules is generally attenuated in order to verify their orthogonality. Synergistic interactions, however, can induce emergent behavior that might prove useful for synthetic biology applications, like in functional circuit design, multi-drug treatment, or in sensing and delivery devices. Synergistic design principles are therefore complementary to those coming from orthogonal design and may provide added value to synthetic biology applications. The appropriate modeling, characterization, and design of synergies between biological parts and units will allow the discovery of yet unforeseeable, novel synthetic biology applications. PMID:25022769

  1. Fast and robust method for the determination of microstructure and composition in butadiene, styrene-butadiene, and isoprene rubber by near-infrared spectroscopy.

    Science.gov (United States)

    Vilmin, Franck; Dussap, Claude; Coste, Nathalie

    2006-06-01

    In the tire industry, synthetic styrene-butadiene rubber (SBR), butadiene rubber (BR), and isoprene rubber (IR) elastomers are essential for conferring to the product its properties of grip and rolling resistance. Their physical properties depend on their chemical composition, i. e., their microstructure and styrene content, which must be accurately controlled. This paper describes a fast, robust, and highly reproducible near-infrared analytical method for the quantitative determination of the microstructure and styrene content. The quantitative models are calculated with the help of pure spectral profiles estimated from a partial least squares (PLS) regression, using (13)C nuclear magnetic resonance (NMR) as the reference method. This versatile approach allows the models to be applied over a large range of compositions, from a single BR to an SBR-IR blend. The resulting quantitative predictions are independent of the sample path length. As a consequence, the sample preparation is solvent free and simplified with a very fast (five minutes) hot filming step of a bulk polymer piece. No precise thickness control is required. Thus, the operator effect becomes negligible and the method is easily transferable. The root mean square error of prediction, depending on the rubber composition, is between 0.7% and 1.3%. The reproducibility standard error is less than 0.2% in every case.

  2. Synthetic Defects for Vibrothermography

    Science.gov (United States)

    Renshaw, Jeremy; Holland, Stephen D.; Thompson, R. Bruce; Eisenmann, David J.

    2010-02-01

    Synthetic defects are an important tool used for characterizing the performance of nondestructive evaluation techniques. Viscous material-filled synthetic defects were developed for use in vibrothermography (also known as sonic IR) as a tool to improve inspection accuracy and reliability. This paper describes how the heat-generation response of these VMF synthetic defects is similar to the response of real defects. It also shows how VMF defects can be applied to improve inspection accuracy for complex industrial parts and presents a study of their application in an aircraft engine stator vane.

  3. Synthetic biological networks

    International Nuclear Information System (INIS)

    Archer, Eric; Süel, Gürol M

    2013-01-01

    Despite their obvious relationship and overlap, the field of physics is blessed with many insightful laws, while such laws are sadly absent in biology. Here we aim to discuss how the rise of a more recent field known as synthetic biology may allow us to more directly test hypotheses regarding the possible design principles of natural biological networks and systems. In particular, this review focuses on synthetic gene regulatory networks engineered to perform specific functions or exhibit particular dynamic behaviors. Advances in synthetic biology may set the stage to uncover the relationship of potential biological principles to those developed in physics. (review article)

  4. Nano Fe{sub 2}O{sub 3,} clinoptilolite and H{sub 3}PW{sub 12}O{sub 40} as efficient catalysts for solvent-free synthesis of 5(4H)-isoxazolone under microwave irradiation conditions

    Energy Technology Data Exchange (ETDEWEB)

    Fozooni, Samieh, E-mail: samieh.fozooni@uk.ac.ir, E-mail: s_fozooni@yahoo.com [Shahid Bahonar University, Kerman (Iran, Islamic Republic of). Mining Engineering Department. Zarand High Education Center; Hosseinzadeh, Nasrin Gholam; Akhgar, Mohammad Reza [Islamic Azad University, Kerman (Iran, Islamic Republic of). Department of Chemistry; Hamidian, Hooshang [Payame Noor University (PNU), Tehran (Iran, Islamic Republic of). Department of Chemistry

    2013-10-15

    A quick and solvent-free approach involving the exposure of neat reactants to microwave irradiation in conjunction with the use of clinoptilolite, H{sub 3}PW{sub 12}O{sub 40} and Fe{sub 2}O{sub 3} nanoparticle catalysts is described. In this work, condensation of hydroxylamine hydrochloride, sodium acetate, acetoacetic or benzoyl acetic ethyl ester and appropriate aldehydes by employing catalysts gave 5(4H)-isoxazolone only in one step. Catalyst amount, temperature effects and catalysts reusability were monitored. Among the catalysts, Fe{sub 2}O{sub 3} nanoparticles had better performance than other catalysts from viewpoint of yield and reaction time. The present protocol offers several advantages, such as short reaction time, reasonable yield, mild reaction condition and recycling catalysts with a very easy workup. (author)

  5. Models for synthetic biology.

    Science.gov (United States)

    Kaznessis, Yiannis N

    2007-11-06

    Synthetic biological engineering is emerging from biology as a distinct discipline based on quantification. The technologies propelling synthetic biology are not new, nor is the concept of designing novel biological molecules. What is new is the emphasis on system behavior. The objective is the design and construction of new biological devices and systems to deliver useful applications. Numerous synthetic gene circuits have been created in the past decade, including bistable switches, oscillators, and logic gates, and possible applications abound, including biofuels, detectors for biochemical and chemical weapons, disease diagnosis, and gene therapies. More than fifty years after the discovery of the molecular structure of DNA, molecular biology is mature enough for real quantification that is useful for biological engineering applications, similar to the revolution in modeling in chemistry in the 1950s. With the excitement that synthetic biology is generating, the engineering and biological science communities appear remarkably willing to cross disciplinary boundaries toward a common goal.

  6. Technical Assessment: Synthetic Biology

    Science.gov (United States)

    2015-01-01

    Pfizer, Bausch & Lomb, Coca - Cola , and other Fortune 500 companies 8 Data estimated by the... financial prize for ideas to drive forward the production of a sensor relying on synthetic organisms that can detect exposure to 500 specific chemicals

  7. [Smart therapeutics based on synthetic gene circuits].

    Science.gov (United States)

    Peng, Shuguang; Xie, Zhen

    2017-03-25

    Synthetic biology has an important impact on biology research since its birth. Applying the thought and methods that reference from electrical engineering, synthetic biology uncovers many regulatory mechanisms of life systems, transforms and expands a series of biological components. Therefore, it brings a wide range of biomedical applications, including providing new ideas for disease diagnosis and treatment. This review describes the latest advances in the field of disease diagnosis and therapy based on mammalian cell or bacterial synthetic gene circuits, and provides new ideas for future smart therapy design.

  8. Extraction of the essential oil from endemic Origanum bilgeri P.H.Davis with two different methods: comparison of the oil composition and antibacterial activity.

    Science.gov (United States)

    Sözmen, Fazli; Uysal, Burcu; Köse, Elif Odabaş; Aktaş, Ozgür; Cinbilgel, Ilker; Oksal, Birsen S

    2012-07-01

    The antibacterial activity and chemical composition of the essential oils (EOs) isolated from Origanum bilgeri P.H.Davis by two different extraction methods, i.e., hydrodistillation (HD) and solvent-free microwave extraction (SFME), were examined. This endemic Origanum species had shown very good antibacterial activity. The composition of the O. bilgeri EOs obtained by SFME and HD was investigated by GC/MS analysis. The main components of the oils obtained by both methods were carvacrol (90.20-84.30%), p-cymene (3.40-5.85%), γ-terpinene (0.47-1.20%), and thymol (0.69-1.08%). The EO isolation by SFME offered many important advantages, including a higher extraction yield, a shorter extraction time, and a higher content of the active component carvacrol. The carvacrol-rich oils obtained by both HD and SFME showed a good antibacterial activity. The largest inhibition zones were observed for the O. bilgeri EO obtained by SFME. Our study suggests that O. bilgeri EO has the potential to be used as preventative against bacterial contamination in many foods, instead of the common synthetic antimicrobial products. Copyright © 2012 Verlag Helvetica Chimica Acta AG, Zürich.

  9. A general method for the purification of synthetic oligodeoxyribonucleotides containing strong secondary structure by reversed-phase high-performance liquid chromatography on PRP-1 resin.

    Science.gov (United States)

    Germann, M W; Pon, R T; van de Sande, J H

    1987-09-01

    Synthetic 5'-dimethoxytritylated oligodeoxyribonucleotides, which contained strong secondary structure, were satisfactorily denatured and purified by reversed-phase HPLC on PRP-1 columns when strongly alkaline conditions (0.05 M NaOH) were employed. This procedure was suitable for the purification of hairpin structures, e.g., d(CG)nT4(CG)n (n = 4, 5, 6), and oligo(dG) sequences, e.g., d(G)24, as well as oligodeoxyribonucleotide probes which contained degenerate base sites. Oligodeoxyribonucleotides as long as 50 bases in length were purified. Recovery of injected oligonucleotides was typically 90% or better. The high capacity of the PRP-1 resin also allowed purification to be performed on a preparative scale (2-8 mg per injection). Enzymatic degradation and HPLC analysis indicated that no modification of the heterocyclic bases occurred under the alkaline conditions described.

  10. What Are Synthetic Cannabinoids?

    Science.gov (United States)

    ... years, synthetic cannabinoid mixtures have been easy to buy in drug paraphernalia shops, novelty stores, gas stations, and over ... abuse, authorities have made it illegal to sell, buy, or possess some of ... use is that standard drug tests cannot easily detect many of the chemicals ...

  11. Building synthetic cellular organization

    OpenAIRE

    Polka, Jessica K.; Silver, Pamela A.

    2013-01-01

    The elaborate spatial organization of cells enhances, restricts, and regulates protein–protein interactions. However, the biological significance of this organization has been difficult to study without ways of directly perturbing it. We highlight synthetic biology tools for engineering novel cellular organization, describing how they have been, and can be, used to advance cell biology.

  12. Towards a synthetic chloroplast.

    Directory of Open Access Journals (Sweden)

    Christina M Agapakis

    2011-04-01

    Full Text Available The evolution of eukaryotic cells is widely agreed to have proceeded through a series of endosymbiotic events between larger cells and proteobacteria or cyanobacteria, leading to the formation of mitochondria or chloroplasts, respectively. Engineered endosymbiotic relationships between different species of cells are a valuable tool for synthetic biology, where engineered pathways based on two species could take advantage of the unique abilities of each mutualistic partner.We explored the possibility of using the photosynthetic bacterium Synechococcus elongatus PCC 7942 as a platform for studying evolutionary dynamics and for designing two-species synthetic biological systems. We observed that the cyanobacteria were relatively harmless to eukaryotic host cells compared to Escherichia coli when injected into the embryos of zebrafish, Danio rerio, or taken up by mammalian macrophages. In addition, when engineered with invasin from Yersinia pestis and listeriolysin O from Listeria monocytogenes, S. elongatus was able to invade cultured mammalian cells and divide inside macrophages.Our results show that it is possible to engineer photosynthetic bacteria to invade the cytoplasm of mammalian cells for further engineering and applications in synthetic biology. Engineered invasive but non-pathogenic or immunogenic photosynthetic bacteria have great potential as synthetic biological devices.

  13. Synthetic Aperture Vector Flow Imaging

    DEFF Research Database (Denmark)

    Villagómez Hoyos, Carlos Armando

    The main objective of this project was to continue the development of a synthetic aperture vector flow estimator. This type of estimator is capable of overcoming two of the major limitations in conventional ultrasound systems: 1) the inability to scan large region of interest with high temporal......, this thesis showed that novel information can be obtained with vector velocity methods providing quantitative estimates of blood flow and insight into the complexity of the hemodynamics dynamics. This could give the clinician a new tool in assessment and treatment of a broad range of diseases....

  14. 21 CFR 175.250 - Paraffin (synthetic).

    Science.gov (United States)

    2010-04-01

    ... hydrocarbons. Lower molecular-weight fractions are removed by distillation. The residue is hydrogenated and may... its components by a solvent separation method, using synthetic isoparaffinic petroleum hydrocarbons... method E131-81a, “Standard Definitions of Terms and Symbols Relating to Molecular-Spectroscopy,” which is...

  15. Synthetic Electric Microbial Biosensors

    Science.gov (United States)

    2017-06-10

    domains and DNA-binding domains into a single protein for deregulation of down stream genes of have been favored [10]. Initially experiments with... Germany DISTRIBUTION A. Approved for public release: distribution unlimited.   Talk title: “Synthetic biology based microbial biosensors for the...toolbox” in Heidelberg, Germany Poster title: “Anaerobic whole cell microbial biosensors” Link: http://phdsymposium.embl.org/#home   September, 2014

  16. Solvent-free one-pot cyclization and acetylation of chalcones: Synthesis of some 1-acetyl pyrazoles and spectral correlations of 1-(3-(3,4-dimethylphenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1-yl ethanones

    Directory of Open Access Journals (Sweden)

    G. Thirunarayanan

    2016-11-01

    Full Text Available One-pot synthesis of some 1N-acetyl pyrazoles including 1-(3-(3,4-dimethylphenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1-yl ethanones has been achieved via solvent-free microwave irradiation using substituted chalcones, hydrazine hydrate and acetic anhydride in the presence of catalytic amount of fly-ash: PTS catalyst. The yield of these 1N-acetyl pyrazole derivatives is more than 75%. The synthesized 1N-acetyl pyrazoline derivatives were characterized by their physical constants and spectral data. The infrared spectral νCN and CO (cm−1 frequencies, NMR chemical shifts (δ, ppm of Ha, Hb, Hc, CH3 protons, CN, CO and CH3 carbons of 1-(3-(3,4-dimethylphenyl-5-(substituted phenyl-4,5-dihydro-1H-pyrazole-1-yl ethanones have been assigned and correlated with Hammett substituent constants and Swain-Lupton’s parameters using single and multi-regression analysis. From the results of statistical analyses, the effect of substituents on the above group frequencies and chemical shifts of the acetylated pyrazoles were discussed.

  17. Ultrasensitive, simple and solvent-free micro-assay for determining sulphite preservatives (E220-228) in foods by HS-SDME and UV-vis micro-spectrophotometry.

    Science.gov (United States)

    Gómez-Otero, E; Costas, M; Lavilla, I; Bendicho, C

    2014-03-01

    A new method based on headspace single-drop microextraction in combination with UV-vis micro-spectrophotometry has been developed for the ultrasensitive determination of banned sulphite preservatives (E220-228) in fruits and vegetables. Sample acidification was used for SO2 generation, which is collected onto a 5,5'-dithiobis-(2-nitrobenzoic acid) microdrop for spectrophotometric measurement. A careful study of this reaction was necessary, including conditions for SO2 generation from different sulphating salts, drop pH, 5,5'-dithiobis-(2-nitrobenzoic acid) concentration and potential interference effects. Variables influencing mass transfer (stirring, sample volume and addition of salt) and microextraction time were also studied. A simple sulphite extraction was carried out, and problems caused by oxidation during the extraction process were addressed. A high enrichment factor (380) allows the determination of low levels of free SO2 in fruits and vegetables (limit of detection 0.06 μg g(-1), limit of quantification 0.2 μg g(-1)) with an adequate precision (repeatability, relative standard deviation 5 %). In addition, the sulphiting process was studied through the monitoring of residual SO2 in a vegetal sample, thus showing the importance of a sensitive tool for SO2 detection at low levels.

  18. Generation of Synthetic Turbulence in Arbitrary Domains

    DEFF Research Database (Denmark)

    Gilling, Lasse; Nielsen, Søren R.K.; Sørensen, Niels

    2009-01-01

    A new method for generating synthetic turbulence is presented. The method is intended for generating a turbulent velocity field with a fine spatial resolution but only covering a small moving part of the rotor area of a wind turbine. For this application the Mann and Sandia methods cannot be used......-spectra a realization of a velocity field is determined by factorization and Fourier transform as in the Sandia method....

  19. Synthetic aperture tissue and flow ultrasound imaging

    DEFF Research Database (Denmark)

    Nikolov, Svetoslav

    imaging applied to medical ultrasound. It is divided into two major parts: tissue and blood flow imaging. Tissue imaging using synthetic aperture algorithms has been investigated for about two decades, but has not been implemented in medical scanners yet. Among the other reasons, the conventional scanning...... and beamformation methods are adequate for the imaging modalities in clinical use - the B-mode imaging of tissue structures, and the color mapping of blood flow. The acquisition time, however, is too long, and these methods fail to perform real-time three-dimensional scans. The synthetic transmit aperture......, on the other hand, can create a Bmode image with as little as 2 emissions, thus significantly speeding-up the scan procedure. The first part of the dissertation describes the synthetic aperture tissue imaging. It starts with an overview of the efforts previously made by other research groups. A classification...

  20. Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

    Science.gov (United States)

    Hossain, Mossaraf; Thomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Armaković, Stevan; Armaković, Sanja J.; Nanda, Ashis Kumar; Vijayakumar, G.; Van Alsenoy, C.

    2018-04-01

    Two newly synthetized imidazole derivatives (1-(4-methoxyphenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (MPDIA) and 1-(4-bromophenyl)-4,5-dimethyl-1H-imidazole-2-yl acetate (BPDIA)) have been prepared by solvent-free synthesis pathway and their specific spectroscopic and reactive properties have been discussed based on combined experimental and computational approaches. Aside of synthesis, experimental part of this work included measurements of IR, FT-Raman and NMR spectra. All of the aforementioned spectra were also obtained computationally, within the framework of density functional theory (DFT) approach. Additionally, DFT calculations have been used in order to investigate local reactivity properties based on molecular orbital theory, molecular electrostatic potential (MEP), average local ionization energy (ALIE), Fukui functions and bond dissociation energy (BDE). Molecular dynamics (MD) simulations have been used in order to obtain radial distribution functions (RDF), which were used for identification of the atoms with pronounced interactions with water molecules. MEP showed negative regions are mainly localized over N28, O29, O35 atoms, it is represent with red colour in rainbow color scheme for MPDIA and BPDIA (which are most reactive sites for electrophilic attack). The first order hyperpolarizabilities of MPDIA and BPDIA are 20.15 and 6.10 times that of the standard NLO material urea. Potential interaction with antihypertensive protein hydrolase.

  1. Application of the Organic Synthetic Designs to Astrobiology

    Science.gov (United States)

    Kolb, V. M.

    2009-12-01

    In this paper we propose a synthesis of the heterocyclic compounds and the insoluble materials on the meteorites. Our synthetic scheme involves the reaction of sugars and amino acids, the so-called Maillard reaction. We have developed this scheme based on the combined analysis of the regular and retrosynthetic organic synthetic principles. The merits of these synthetic methods for the prebiotic design are addressed.

  2. Solvent-free synthesis and application of nano-Fe/Ca/CaO/[PO{sub 4}] composite for dual separation and immobilization of stable and radioactive cesium in contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Mallampati, Srinivasa Reddy, E-mail: srireddys@ulsan.ac.kr [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of); Mitoma, Yoshiharu, E-mail: mitomay@pu-hiroshima.ac.jp [Department of Environmental Sciences, Faculty of Life and Environmental Sciences, Prefectural University of Hiroshima, 562 Nanatsuka-Cho Shobara City, Hiroshima 727-0023 (Japan); Okuda, Tetsuji [Environmental Research and Management Center, Hiroshima University, 1-5-3 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8513 (Japan); Simion, Cristian [Politehnica University of Bucharest, Department of Organic Chemistry, Bucharest 060042 (Romania); Lee, Byeong Kyu [Department of Civil and Environmental Engineering, University of Ulsan, Daehak-ro 93, Nam-gu, Ulsan 680-749 (Korea, Republic of)

    2015-10-30

    included Ca/PO{sub 4} associated crystalline complexes. These results suggest that simple grinding treatment with nano-Fe/Ca/CaO/[PO{sub 4}] under dry conditions might be an extremely efficient separation and immobilization method for radioactive cesium contaminated soil.

  3. Uncovering the method of production and detection of synthetic acetic acid adulteration in vinegar by tandem use of 14C liquid scintillation counting and 13C/12C ratio mass spectrometry

    International Nuclear Information System (INIS)

    Wechner, Stefan; Voropaev, Andrey; Eichinger, Lorenz; Santos, Flora L.; Castaneda, Soledad; Racho, Michael; Pabroa, Preciosa Corazon; Morco, Ryan; Sucgang, Raymond J.

    2010-01-01

    CO 2 gas (standardized against the International Pee Dee Belemnite Standard). Delta values of acetic acid obtained from C4 plants including sugar cane, and pineapple were between (-12.2) to (-15.9) per mil respectively. The vinegar obtained from mango, a C3 plant, gave (-20.1) per mil. The acetic acid produced from sugar cane using an acetator presented a fractionation (-10.2 per mil.) which allows for it to be differentiated from cane vinegar produced via the conventional fermentation production, not using an acetator. Possible synthetic/petroleum derived vinegars exhibit delta values beyond (-30) per mil. Five out of seven of the commercial vinegar brands were suspected to be made of synthetic acetic acid. Isotope ratio mass spectrometry and liquid scintillation counting are promising tools for revealing the botanical origin and method of production, and detection of synthetic acid adulteration in vinegar samples. (author)

  4. A new colorimetric DPPH• scavenging activity method with no need for a spectrophotometer applied on synthetic and natural antioxidants and medicinal herbs.

    Science.gov (United States)

    Akar, Zeynep; Küçük, Murat; Doğan, Hacer

    2017-12-01

    2,2-Diphenyl-1-picrylhydrazyl (DPPH • ) radical scavenging, the most commonly used antioxidant method with more than seventeen thousand articles cited, is very practical; however, as with most assays, it has the major disadvantage of dependence on a spectrophotometer. To overcome this drawback, the colorimetric determination of the antioxidant activity using a scanner and freely available Image J software was developed. In this new method, the mixtures of solutions of DPPH • and standard antioxidants or extracts of common medicinal herbs were dropped onto TLC plates, after an incubation period. The spot images were evaluated with Image J software to determine CSC 50 values, the sample concentrations providing 50% colour reduction, which were very similar with the SC 50 values obtained with spectrophotometric method. The advantages of the new method are the use of lower amounts of reagents and solvents, no need for costly spectrophotometers, and thus significantly lowered costs, and convenient implementation in any environment and situation.

  5. Semi-automated solid phase extraction method for the mass spectrometric quantification of 12 specific metabolites of organophosphorus pesticides, synthetic pyrethroids, and select herbicides in human urine.

    Science.gov (United States)

    Davis, Mark D; Wade, Erin L; Restrepo, Paula R; Roman-Esteva, William; Bravo, Roberto; Kuklenyik, Peter; Calafat, Antonia M

    2013-06-15

    Organophosphate and pyrethroid insecticides and phenoxyacetic acid herbicides represent important classes of pesticides applied in commercial and residential settings. Interest in assessing the extent of human exposure to these pesticides exists because of their widespread use and their potential adverse health effects. An analytical method for measuring 12 biomarkers of several of these pesticides in urine has been developed. The target analytes were extracted from one milliliter of urine by a semi-automated solid phase extraction technique, separated from each other and from other urinary biomolecules by reversed-phase high performance liquid chromatography, and detected using tandem mass spectrometry with isotope dilution quantitation. This method can be used to measure all the target analytes in one injection with similar repeatability and detection limits of previous methods which required more than one injection. Each step of the procedure was optimized to produce a robust, reproducible, accurate, precise and efficient method. The required selectivity and sensitivity for trace-level analysis (e.g., limits of detection below 0.5ng/mL) was achieved using a narrow diameter analytical column, higher than unit mass resolution for certain analytes, and stable isotope labeled internal standards. The method was applied to the analysis of 55 samples collected from adult anonymous donors with no known exposure to the target pesticides. This efficient and cost-effective method is adequate to handle the large number of samples required for national biomonitoring surveys. Published by Elsevier B.V.

  6. Opportunities in plant synthetic biology.

    Science.gov (United States)

    Cook, Charis; Martin, Lisa; Bastow, Ruth

    2014-05-01

    Synthetic biology is an emerging field uniting scientists from all disciplines with the aim of designing or re-designing biological processes. Initially, synthetic biology breakthroughs came from microbiology, chemistry, physics, computer science, materials science, mathematics, and engineering disciplines. A transition to multicellular systems is the next logical step for synthetic biologists and plants will provide an ideal platform for this new phase of research. This meeting report highlights some of the exciting plant synthetic biology projects, and tools and resources, presented and discussed at the 2013 GARNet workshop on plant synthetic biology.

  7. Synthetic Biology of Polyhydroxyalkanoates (PHA).

    Science.gov (United States)

    Meng, De-Chuan; Chen, Guo-Qiang

    Microbial polyhydroxyalkanoates (PHA) are a family of biodegradable and biocompatible polyesters which have been extensively studied using synthetic biology and metabolic engineering methods for improving production and for widening its diversity. Synthetic biology has allowed PHA to become composition controllable random copolymers, homopolymers, and block copolymers. Recent developments showed that it is possible to establish a microbial platform for producing not only random copolymers with controllable monomers and their ratios but also structurally defined homopolymers and block copolymers. This was achieved by engineering the genome of Pseudomonas putida or Pseudomonas entomophiles to weaken the β-oxidation and in situ fatty acid synthesis pathways, so that a fatty acid fed to the bacteria maintains its original chain length and structures when incorporated into the PHA chains. The engineered bacterium allows functional groups in a fatty acid to be introduced into PHA, forming functional PHA, which, upon grafting, generates endless PHA variety. Recombinant Escherichia coli also succeeded in producing efficiently poly(3-hydroxypropionate) or P3HP, the strongest member of PHA. Synthesis pathways of P3HP and its copolymer P3HB3HP of 3-hydroxybutyrate and 3-hydroxypropionate were assembled respectively to allow their synthesis from glucose. CRISPRi was also successfully used to manipulate simultaneously multiple genes and control metabolic flux in E. coli to obtain a series of copolymer P3HB4HB of 3-hydroxybutyrate (3HB) and 4-hydroxybutyrate (4HB). The bacterial shapes were successfully engineered for enhanced PHA accumulation.

  8. Synthetic staggered architecture composites

    International Nuclear Information System (INIS)

    Dutta, Abhishek; Tekalur, Srinivasan Arjun

    2013-01-01

    Highlights: ► Composite design inspired by nature. ► Tuning microstructure via changing ceramic content and aspect ratio. ► Experimental display of structure–property correlationship in synthetic composites. - Abstract: Structural biocomposites (for example, nacre in seashells, bone, etc.) are designed according to the functional role they are delegated for. For instance, bone is primarily designed for withstanding time-dependent loading (for example, withstanding stresses while running, jumping, accidental fall) and hence the microstructure is designed primarily from enhanced toughness and moderate stiffness point of view. On the contrary, seashells (which lie in the abyss of oceans) apart from providing defense to the organism (it is hosting) against predatory attacks, are subjected to static loading (for example, enormous hydrostatic pressure). Hence, emphasis on the shell structure evolution is directed primarily towards providing enhanced stiffness. In order to conform between stiffness and toughness, nature precisely employs a staggered arrangement of inorganic bricks in a biopolymer matrix (at its most elementary level of architecture). Aspect ratio and content of ceramic bricks are meticulously used by nature to synthesize composites having varying degrees of stiffness, strength and toughness. Such an amazing capability of structure–property correlationship has rarely been demonstrated in synthetic composites. Therefore, in order to better understand the mechanical behavior of synthetic staggered composites, the problem becomes two-pronged: (a) synthesize composites with varying brick size and contents and (b) experimental investigation of the material response. In this article, an attempt has been made to synthesize and characterize staggered ceramic–polymer composites having varying aspect ratio and ceramic content using freeze-casting technique. This will in-turn help us in custom-design manufacture of hybrid bio-inspired composite materials

  9. Synthetic Aperture Ultrasound Imaging

    DEFF Research Database (Denmark)

    Jensen, Jørgen Arendt; Nikolov, Svetoslav; Gammelmark, Kim Løkke

    2006-01-01

    The paper describes the use of synthetic aperture (SA) imaging in medical ultrasound. SA imaging is a radical break with today's commercial systems, where the image is acquired sequentially one image line at a time. This puts a strict limit on the frame rate and the possibility of acquiring...... a sufficient amount of data for high precision flow estimation. These constrictions can be lifted by employing SA imaging. Here data is acquired simultaneously from all directions over a number of emissions, and the full image can be reconstructed from this data. The talk will demonstrate the many benefits...

  10. Transition in synthetic jets

    Czech Academy of Sciences Publication Activity Database

    Tesař, Václav; Kordík, Jozef

    2012-01-01

    Roč. 187, NOV 2012 (2012), s. 105-117 ISSN 0924-4247 R&D Projects: GA TA ČR(CZ) TA02020795; GA ČR(CZ) GPP101/12/P556; GA ČR(CZ) GCP101/11/J019 Institutional research plan: CEZ:AV0Z20760514 Keywords : turbulence * synthetic jet * transition * velocity spectra Subject RIV: BK - Fluid Dynamics Impact factor: 1.841, year: 2012 http://www. science direct.com/ science /article/pii/S0924424712005031

  11. Functional mining of transporters using synthetic selections

    DEFF Research Database (Denmark)

    Genee, Hans Jasper; Bali, Anne Pihl; Petersen, Søren Dalsgård

    2016-01-01

    transporters, PnuT, which is widely distributed across multiple bacterial phyla. We demonstrate that with modular replacement of the biosensor, we could expand our method to xanthine and identify xanthine permeases from gut and soil metagenomes. Our results demonstrate how synthetic-biology approaches can......-responsive biosensor systems that enable selective growth of cells only if they encode a ligand-specific importer. We developed such a synthetic selection system for thiamine pyrophosphate and mined soil and gut metagenomes for thiamine-uptake functions. We identified several members of a novel class of thiamine...

  12. Synthetic biology of microbes synthesizing polyhydroxyalkanoates (PHA

    Directory of Open Access Journals (Sweden)

    Guo-Qiang Chen

    2016-12-01

    Full Text Available Microbial polyhydroxyalkanoates (PHA have been produced as bioplastics for various purposes. Under the support of China National Basic Research 973 Project, we developed synthetic biology methods to diversify the PHA structures into homo-, random, block polymers with improved properties to better meet various application requirements. At the same time, various pathways were assembled to produce various PHA from glucose as a simple carbon source. At the end, Halomonas bacteria were reconstructed to produce PHA in changing morphology for low cost production under unsterile and continuous conditions. The synthetic biology will advance the PHA into a bio- and material industry.

  13. Structure of Solvent-Free Nanoparticle−Organic Hybrid Materials

    KAUST Repository

    Yu, Hsiu-Yu; Koch, Donald L.

    2010-01-01

    that the constraint that each particle carries its own share of the fluid attached to itself yields a static structure factor that approaches zero as the wavenumber approaches zero. This result indicates that each particle excludes exactly one other particle from its

  14. dichlorodiazene dioxides using levulinic acid under solvent-free

    Indian Academy of Sciences (India)

    Administrator

    43 599; (b) Tchou- bar B and Sackur O ... Bremeyer N, Smith S C, Ley S V and Gaunt M J. 2004 Angew. ... Bellesia F, Ghelfi F, Pagnoni U M and Pinetti A 1990. J. Chem. Res. ... Kronenthal D, Huang M H and Nugent W A 2004 J. Org. Chem.

  15. Solvent-free microwave-assisted synthesis of oxadiazoles ...

    Indian Academy of Sciences (India)

    TECS

    tion mixture was refluxed for 4–5 h on an oil bath, the contents were cooled to room temperature and poured onto crushed ice. It was then neutralized by. 5% sodium bicarbonate solution. The solid that separated was collected by filtration through a. Büchner funnel and dried. Further purification was done by recrystallization ...

  16. Synthesis of Halide- and Solvent free metal borohydrides

    DEFF Research Database (Denmark)

    Grinderslev, Jakob; Møller, Kasper Trans; Jensen, Torben René

    chloride or LiBH4 is present in the sample. The synthesis pathway has been shown to work for most of the already known metal borohydrides, M = Na, Ca, Sr, Ba, Y, La, Eu, Gd, Tb, Dy, Ho, Er, Tm, and Yb, but also new borohydrides are formed, M = Pr, Nd and Lu. Besides new compounds, new polymorphs...

  17. INVESTIGATION OF THE SOLVENT FREE ISOMERISATION OF cis ...

    African Journals Online (AJOL)

    Preferred Customer

    The rate of the solid state isomerisation of cis-Mo(CO)4(PPh3)2 was .... R = reflectance, k = absorption coefficient, s = scattering coefficient, c = concentration of the .... total loss of 75 % mass, which is assumed to be due to loss of the two PPh3 ...

  18. Novel, Solvent-Free, Single Ion Conductive Polymer Electrolytes

    Science.gov (United States)

    2008-01-20

    liquid oligomeric analogue PEODME (ε = 8, dioxane:CH3CN mass ratio 48:7). The choice of the solvent mixture was a compromise between the...trifluoride – a derivative of Lewis acid properties. An increase in the degree of dissociation, decrease in the share of ionic associates and increase in...diphenylphosphinate this product is a solid, and in reaction with lithium diphenylphosphate the second fraction is a viscous, light-brown liquid , and

  19. Structure of Solvent-Free Nanoparticle−Organic Hybrid Materials

    KAUST Repository

    Yu, Hsiu-Yu

    2010-11-16

    We derive the radial distribution function and the static structure factor for the particles in model nanoparticleorganic hybrid materials composed of nanoparticles and attached oligomeric chains in the absence of an intervening solvent. The assumption that the oligomers form an incompressible fluid of bead-chains attached to the particles that is at equilibrium for a given particle configuration allows us to apply a density functional theory for determining the equilibrium configuration of oligomers as well as the distribution function of the particles. A quasi-analytic solution is facilitated by a regular perturbation analysis valid when the oligomer radius of gyration R g is much greater than the particle radius a. The results show that the constraint that each particle carries its own share of the fluid attached to itself yields a static structure factor that approaches zero as the wavenumber approaches zero. This result indicates that each particle excludes exactly one other particle from its neighborhood. © 2010 American Chemical Society.

  20. Complex phase behavior in solvent-free nonionic surfactants

    DEFF Research Database (Denmark)

    Hillmyer, M.A.; Bates, F.S.; Almdal, K.

    1996-01-01

    Unsolvated block copolymers and surfactant solutions are ''soft materials'' that share a common set of ordered microstructures, A set of polyethyleneoxide-polyethylethylene (PEG-PEE) block copolymers that are chemically similar to the well-known alkane-oxyethylene (C(n)EO(m)) nonionic surfactants...... was synthesized here. The general phase behavior in these materials resembles that of both higher molecular weight block copolymers and lower molecular weight nonionic surfactant solutions. Two of the block copolymers exhibited thermally induced order-order transitions and were studied in detail by small...

  1. Organic Synthesis under Solvent-free Condition. An Environmentally ...

    Indian Academy of Sciences (India)

    Though it is a common practice to run the organic reactions in solvent media, the ... this concept is simple. That is, the ... to vigorous research activity and reinvestigation of known reac- tions to achieve ... experimental procedure, work up technique and saving in labour. These would be ... This is true not only of the crystals of ...

  2. A Solvent-free Synthesis of Polyhydroquinolines via Hantzsch ...

    African Journals Online (AJOL)

    NICO

    ABSTRACT. A simple and efficient procedure for the synthesis of polyhydroquinolines was developed, involving a one-pot four-component ... inhibition and most importantly as calcium channel blockers.8–15 ..... to magnetic nanoparticles.

  3. Novel, Solvent-Free, Single Ion Conductive Polymer Electrolytes

    National Research Council Canada - National Science Library

    Florjanczyk, Zbigniew

    2008-01-01

    This project report concerns studies on the synthesis of new polymer electrolytes for application in lithium and lithium-ion batteries characterized by limited participation of anions in the transport...

  4. Solvent-free microwave-mediated Michael addition reactions

    Indian Academy of Sciences (India)

    Unknown

    obviously difficult to scale up. In this context ... eco-friendly features such as, (i) no solvent is required to conduct the ... water soluble, addition of reaction mixture after com- ..... Yield: 855 mg (89%; viscous liquid). 3.4 Ethyl .... Jung M E 1993 Comprehensive organic synthesis ... Leshcheva I F and Bundel Y G 1997 Mendeleev.

  5. SOLVENT FREE OXIDATION OF ALCOHOLS USING IRON (III) NITRATE NONAHYDRATE

    Science.gov (United States)

    Oxidation of alcohols have been conducted with metal nitrate reagents on various mineral supports such as clay, silica and zeolite etc. To circumvent the limitations of these supported reagents namely their preparation using solvents and short shelf-life, we explored the use of i...

  6. Highly efficient solvent-free synthesis of pyranopyrazoles by a ...

    Indian Academy of Sciences (India)

    bDepartment of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, P.O. Box 91775, ... key advantages of this process are high yields, shorter reaction times, easy work-up, ... ing pyran derivatives and hydrazine hydrate,9 use of.

  7. Solvent free lipase catalyzed synthesis of butyl caprylate

    Indian Academy of Sciences (India)

    MEERA T SOSE

    2017-11-10

    Nov 10, 2017 ... Department of Chemical Engineering, Institute of Chemical Technology, Matunga (E), ... study for the synthesis of butyl caprylate in presence of bio-catalyst. ..... −1 with Thermomyces lanuginosus lipase.26 The relation.

  8. solvent-free synthesis of azomethines, spectral correlations

    African Journals Online (AJOL)

    B. S. Chandravanshi

    attention of organic and medicinal chemists [2, 3]. ... Spectroscopic data is very useful for studying the ground state equilibrium of ... determines the structure of unsaturated systems, such as E- or Z, s-cis and .... The IR and NMR spectra of selective ... The proposed mechanism for the synthesis of E- imines in presence of ...

  9. A validated analytical method to study the long-term stability of natural and synthetic glucocorticoids in livestock urine using ultra-high performance liquid chromatography coupled to Orbitrap-high resolution mass spectrometry.

    Science.gov (United States)

    De Clercq, Nathalie; Julie, Vanden Bussche; Croubels, Siska; Delahaut, Philippe; Vanhaecke, Lynn

    2013-08-02

    Due to their growth-promoting effects, the use of synthetic glucocorticoids is strictly regulated in the European Union (Council Directive 2003/74/EC). In the frame of the national control plans, which should ensure the absence of residues in food products of animal origin, in recent years, a higher frequency of prednisolone positive bovine urines has been observed. This has raised questions with respect to the stability of natural corticoids in the respective urine samples and their potential to be transformed into synthetic analogs. In this study, a ultra high performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) methodology was developed to examine the stability of glucocorticoids in bovine urine under various storage conditions (up to 20 weeks) and to define suitable conditions for sample handling and storage, using an Orbitrap Exactive™. To this end, an extraction procedure was optimized using a Plackett-Burman experimental design to determine the key conditions for optimal extraction of glucocorticoids from urine. Next, the analytical method was successfully validated according to the guidelines of CD 2002/657/EC. Decision limits and detection capabilities for prednisolone, prednisone and methylprednisolone ranged, respectively, from 0.1 to 0.5μgL(-1) and from 0.3 to 0.8μgL(-1). For the natural glucocorticoids limits of detection and limits of quantification for dihydrocortisone, cortisol and cortisone ranged, respectively, from 0.1 to 0.2μgL(-1) and from 0.3 to 0.8μgL(-1). The stability study demonstrated that filter-sterilization of urine, storage at -80°C, and acidic conditions (pH 3) were optimal for preservation of glucocorticoids in urine and able to significantly limit degradation up to 20 weeks. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Freedom and Responsibility in Synthetic Genomics: The Synthetic Yeast Project

    OpenAIRE

    Sliva, Anna; Yang, Huanming; Boeke, Jef D.; Mathews, Debra J. H.

    2015-01-01

    First introduced in 2011, the Synthetic Yeast Genome (Sc2.0) Project is a large international synthetic genomics project that will culminate in the first eukaryotic cell (Saccharomyces cerevisiae) with a fully synthetic genome. With collaborators from across the globe and from a range of institutions spanning from do-it-yourself biology (DIYbio) to commercial enterprises, it is important that all scientists working on this project are cognizant of the ethical and policy issues associated with...

  11. Analog synthetic biology.

    Science.gov (United States)

    Sarpeshkar, R

    2014-03-28

    We analyse the pros and cons of analog versus digital computation in living cells. Our analysis is based on fundamental laws of noise in gene and protein expression, which set limits on the energy, time, space, molecular count and part-count resources needed to compute at a given level of precision. We conclude that analog computation is significantly more efficient in its use of resources than deterministic digital computation even at relatively high levels of precision in the cell. Based on this analysis, we conclude that synthetic biology must use analog, collective analog, probabilistic and hybrid analog-digital computational approaches; otherwise, even relatively simple synthetic computations in cells such as addition will exceed energy and molecular-count budgets. We present schematics for efficiently representing analog DNA-protein computation in cells. Analog electronic flow in subthreshold transistors and analog molecular flux in chemical reactions obey Boltzmann exponential laws of thermodynamics and are described by astoundingly similar logarithmic electrochemical potentials. Therefore, cytomorphic circuits can help to map circuit designs between electronic and biochemical domains. We review recent work that uses positive-feedback linearization circuits to architect wide-dynamic-range logarithmic analog computation in Escherichia coli using three transcription factors, nearly two orders of magnitude more efficient in parts than prior digital implementations.

  12. Synthetic lubricating oils

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Jurado, J

    1953-01-01

    A yellow solid petroleum paraffin d/sup 60/ 0.808, I number 3.5, average molecular weight 350, chlorinated and condensed with benzene, xylene, or naphthalene by the Friedel and Crafts reaction, in the presence of anhydrous AlCl/sub 3/ or activated Al, gave synthetic lubricating oils. Xylene was the preferred aromatic compound, naphthalene required the use of less completely chlorinated paraffin, benzene produced resins difficult to remove and gave darker oils with excessive green fluorescence. Activated Al rather than anhydrous AlCl/sub 3/ gave darker oils with higher viscosity and Conradson C values. Tar from the low-temperature distillation of lignite, used as a source of a paraffin fraction melting 40/sup 0/ to 48/sup 0/ (chlorinated to 26.5 percent Cl) and an aromatic fraction, 45 percent aromatic compounds by volume (mainly polysubstituted benzenes), I number 10, was converted to a similar synthetic lubricant with the following properties: Kinematic viscosity at 210/sup 0/ F., 50.4 centistokes; viscosity index, 92; Conradson C, 1.5 percent; solidification point, 9/sup 0/; S, 0.41 percent.

  13. Coloring of synthetic fluorite

    International Nuclear Information System (INIS)

    Birsoy, R.

    1980-01-01

    A synthetic fluorite of the Harshaw Chemical Company is analyzed for rare earth elements, yttrium, and sodium. Samples of this fluorite are irradiated with X-rays, γ-rays, neutrons, electrons, protons, and α-particles at different energies, and their absorption spectra are analyzed. Analyzing the thermal bleaching of these radiation-coloured fluorites shows that both, impurities and radiation play a part in the coloration of synthetic fluorite. However, the main contribution comes from the radiation induced lattice defects. In the visible region spectra, the colour centre of the 5800 to 5900 A absorption band is probably mainly related with large aggregates of F-centres. The 5450 and the 5300 A absorption bands are mainly related to monovalent and divalent ion impurities and their association with lattice defects. The 3800 A absorption band seems to be related with F-centre aggregates. However, the contribution from the rare earth elements related complex color centres also plays some part for the production of this absorption band. These results indicate that the color centres of different origin can absorb light at the same wavelength. (author)

  14. Determination of the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system and a comparison between two theoretical methods for synthetic phase diagrams.

    Science.gov (United States)

    Han, Xu; Liu, Yang; Critser, John K

    2010-08-01

    Characterization of the thermodynamic properties of multi-solute aqueous solutions is of critical importance for biological and biochemical research. For example, the phase diagrams of aqueous systems, containing salts, saccharides, and plasma membrane permeating solutes, are indispensible in the field of cryobiology and pharmacology. However, only a few ternary phase diagrams are currently available for these systems. In this study, an auto-sampler differential scanning calorimeter (DSC) was used to determine the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system. To improve the accuracy of melting point measurement, a "mass-redemption" method was also applied for the DSC technique. Base on the analyses of these experimental data, a comparison was made between the two practical approaches to generate phase diagrams of multi-solute solutions from those of single-solute solutions: the summation of cubic polynomial melting point equations versus the use of osmotic virial equations with cross coefficients. The calculated values of the model standard deviations suggested that both methods are satisfactory for characterizing this quaternary system. (c) 2010 Elsevier Inc. All rights reserved.

  15. Effects of synthetic parameters on structure and electrochemical performance of spinel lithium manganese oxide by citric acid-assisted sol-gel method

    International Nuclear Information System (INIS)

    Yi Tingfeng; Dai Changsong; Gao Kun; Hu Xinguo

    2006-01-01

    The spinel lithium manganese oxide cathode materials were prepared by citric acid-assisted sol-gel method at 623-1073 K in air. The effects of pH value, raw material, synthesis temperature and time on structure and electrochemical performance of spinel lithium manganese oxide are investigated by X-ray diffraction (XRD), scanning electronic microscope (SEM) and cyclic voltammetry (CV). XRD data results strongly suggest that the synthesis temperature is the dominating factors of the formation of spinel phase, and spinel lithium manganese oxide powder with various crystallites size can be obtained by controlling the sintering time. CV shows that spinel lithium manganese oxide powder formed about 973 K presents the best electrochemical performance with well separated two peaks and the highest peak current. Charge-discharge test indicates that spinel lithium manganese oxide powders calcined at higher temperatures have high discharge capacity and capacity loss, and sintered at lower temperatures has low discharge capacity and high capacity retention

  16. Effects of synthetic parameters on structure and electrochemical performance of spinel lithium manganese oxide by citric acid-assisted sol-gel method

    Energy Technology Data Exchange (ETDEWEB)

    Yi Tingfeng [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China)]. E-mail: tfyihit@hit.edu.cn; Dai Changsong [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China); Gao Kun [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China); Hu Xinguo [Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001 (China)

    2006-11-30

    The spinel lithium manganese oxide cathode materials were prepared by citric acid-assisted sol-gel method at 623-1073 K in air. The effects of pH value, raw material, synthesis temperature and time on structure and electrochemical performance of spinel lithium manganese oxide are investigated by X-ray diffraction (XRD), scanning electronic microscope (SEM) and cyclic voltammetry (CV). XRD data results strongly suggest that the synthesis temperature is the dominating factors of the formation of spinel phase, and spinel lithium manganese oxide powder with various crystallites size can be obtained by controlling the sintering time. CV shows that spinel lithium manganese oxide powder formed about 973 K presents the best electrochemical performance with well separated two peaks and the highest peak current. Charge-discharge test indicates that spinel lithium manganese oxide powders calcined at higher temperatures have high discharge capacity and capacity loss, and sintered at lower temperatures has low discharge capacity and high capacity retention.

  17. Thermal-annealing effects on the structural and magnetic properties of 10% Fe-doped SnO{sub 2} nanoparticles synthetized by a polymer precursor method

    Energy Technology Data Exchange (ETDEWEB)

    Aragón, F.H., E-mail: fermin964@hotmail.com [Núcleo de Física Aplicada, Instituto de Física, Universidade de Brasília, Brasília DF 70910-900 (Brazil); Instituto de Ciências Biológicas, Pós-graduação em Nanociência e Nanobiotecnologia, Universidade de Brasília, Brasilia DF 70919-970 (Brazil); Coaquira, J.A.H. [Núcleo de Física Aplicada, Instituto de Física, Universidade de Brasília, Brasília DF 70910-900 (Brazil); Nagamine, L.C.C.M.; Cohen, R. [Instituto de Física, Universidade de São Paulo, São Paulo SP 05508-090 (Brazil); Silva, S.W. da [Núcleo de Física Aplicada, Instituto de Física, Universidade de Brasília, Brasília DF 70910-900 (Brazil); Instituto de Ciências Biológicas, Pós-graduação em Nanociência e Nanobiotecnologia, Universidade de Brasília, Brasilia DF 70919-970 (Brazil); and others

    2015-02-01

    In this work, we present the experimental results of Sn{sub 0.9}Fe{sub 0.1}O{sub 2} nanoparticles synthesized by a polymer precursor method. Studies were performed in the as-prepared (AP) and thermally-annealed (TA) samples. The X-ray diffraction (XRD) data analysis carried out using the Rietveld refinement method shows the formation of only the rutile-type structure in the AP sample and this phase remains stable for the TA sample. Additionally, the mean crystallite size shows an increase from ∼4 nm to ∼17 nm after the annealing and a clear reduction of the residual strain has also been determined. Micro-Raman spectroscopy measurements show the formation of an iron oxide phase (likely α-Fe{sub 2}O{sub 3}) after the thermal treatment. Magnetic measurements show a paramagnetic behavior for the AP sample and the coexistence of a weak ferromagnetism and paramagnetism for the TA sample. The magnetically-ordered contribution of the TA sample has been assigned to the formation of the hematite phase. DC and AC magnetic features of the TA sample are consistent with a cluster-glass behavior which seems to be related to the magnetic disorder of spins located at the particle surface. Those spins clusters seem to be formed due to the diffusion of iron ions from the core of the particle to the surface caused by the annealing process. - Highlights: • Thermal annealing effects in the 10% Fe-doped SnO{sub 2} nanoparticles have been studied. • XRD data analysis shows the formation of the rutile-type structure. • Raman measurements show the formation of small amount of α-Fe{sub 2}O{sub 3} after the annealing. • Paramagnetic and magnetically ordered phases were determined after the annealing. • Spin clusters likely at the particle surface have been formed after the annealing.

  18. Space Synthetic Biology Project

    Science.gov (United States)

    Howard, David; Roman, Monsi; Mansell, James (Matt)

    2015-01-01

    Synthetic biology is an effort to make genetic engineering more useful by standardizing sections of genetic code. By standardizing genetic components, biological engineering will become much more similar to traditional fields of engineering, in which well-defined components and subsystems are readily available in markets. Specifications of the behavior of those components and subsystems can be used to model a system which incorporates them. Then, the behavior of the novel system can be simulated and optimized. Finally, the components and subsystems can be purchased and assembled to create the optimized system, which most often will exhibit behavior similar to that indicated by the model. The Space Synthetic Biology project began in 2012 as a multi-Center effort. The purpose of this project was to harness Synthetic Biology principals to enable NASA's missions. A central target for application was to Environmental Control & Life Support (ECLS). Engineers from NASA Marshall Space Flight Center's (MSFC's) ECLS Systems Development Branch (ES62) were brought into the project to contribute expertise in operational ECLS systems. Project lead scientists chose to pursue the development of bioelectrochemical technologies to spacecraft life support. Therefore, the ECLS element of the project became essentially an effort to develop a bioelectrochemical ECLS subsystem. Bioelectrochemical systems exploit the ability of many microorganisms to drive their metabolisms by direct or indirect utilization of electrical potential gradients. Whereas many microorganisms are capable of deriving the energy required for the processes of interest (such as carbon dioxide (CO2) fixation) from sunlight, it is believed that subsystems utilizing electrotrophs will exhibit smaller mass, volume, and power requirements than those that derive their energy from sunlight. In the first 2 years of the project, MSFC personnel conducted modeling, simulation, and conceptual design efforts to assist the

  19. Current status of synthetic epikeratoplasty.

    Science.gov (United States)

    Thompson, K P; Hanna, K; Waring, G O; Gipson, I; Liu, Y; Gailitis, R P; Johnson-Wint, B; Green, K

    1991-01-01

    Many of the deficiencies with human tissue epikeratoplasty might be improved by the use of a suitable synthetic lenticule. Potential biomaterials for epikeratoplasty include collagen (types I, III, or IV), collagen-hydrogel copolymers, bioactive synthetics, and coated hydrogels. The biomaterial must be engineered to achieve strict specifications of optical clarity, support of epithelial migration and adhesion, permeability to solutes, and stability to corneal proteases. Attaching synthetic lenticules to the cornea without cutting Bowman's layer by adhesives, laser welding, or direct adhesion may also improve the efficacy of synthetic epikeratoplasty.

  20. Finding Hope in Synthetic Biology.

    Science.gov (United States)

    Takala, Tuija

    2017-04-01

    For some, synthetic biology represents great hope in offering possible solutions to many of the world's biggest problems, from hunger to sustainable development. Others remain fearful of the harmful uses, such as bioweapons, that synthetic biology can lend itself to, and most hold that issues of biosafety are of utmost importance. In this article, I will evaluate these points of view and conclude that although the biggest promises of synthetic biology are unlikely to become reality, and the probability of accidents is fairly substantial, synthetic biology could still be seen to benefit humanity by enhancing our ethical understanding and by offering a boost to world economy.

  1. Life after the synthetic cell

    DEFF Research Database (Denmark)

    Rasmussen, Steen

    2010-01-01

    Nature asked eight synthetic-biology experts about the implications for science and society of the “synthetic cell” made by the J. Craig Venter Institute (JCVI). The institute's team assembled, modified and implanted a synthesized genome into a DNA-free bacterial shell to make a self-replicating ......Nature asked eight synthetic-biology experts about the implications for science and society of the “synthetic cell” made by the J. Craig Venter Institute (JCVI). The institute's team assembled, modified and implanted a synthesized genome into a DNA-free bacterial shell to make a self...

  2. Synthetic Aperture Compound Imaging

    DEFF Research Database (Denmark)

    Hansen, Jens Munk

    and the limiting factor is the amount of memory IO resources available. An equally high demand for memory throughput is found in the computer gaming industry, where a large part of the processing takes place on the graphics processing unit (GPU). Using the GPU, a framework for synthetic aperture imaging......Medical ultrasound imaging is used for many purposes, e.g. for localizing and classifying cysts, lesions, and other processes. Almost any mass is first observed using B-mode imaging and later classified using e.g. color flow, strain, or attenuation imaging. It is therefore important that the B......-mode images have high contrast. Like all imaging modalities, ultrasound is subject to a number of inherent artifacts that compromise image quality. The most prominent artifact is the degradation by coherent wave interference, known as “speckle”, which gives a granular appearance to an otherwise homogeneous...

  3. Transionospheric synthetic aperture imaging

    CERN Document Server

    Gilman, Mikhail; Tsynkov, Semyon

    2017-01-01

    This landmark monograph presents the most recent mathematical developments in the analysis of ionospheric distortions of SAR images and offers innovative new strategies for their mitigation. As a prerequisite to addressing these topics, the book also discusses the radar ambiguity theory as it applies to synthetic aperture imaging and the propagation of radio waves through the ionospheric plasma, including the anisotropic and turbulent cases. In addition, it covers a host of related subjects, such as the mathematical modeling of extended radar targets (as opposed to point-wise targets) and the scattering of radio waves off those targets, as well as the theoretical analysis of the start-stop approximation, which is used routinely in SAR signal processing but often without proper justification. The mathematics in this volume is clean and rigorous – no assumptions are hidden or ambiguously stated. The resulting work is truly interdisciplinary, providing both a comprehensive and thorough exposition of the field,...

  4. Synthetic fuels and fusion

    Energy Technology Data Exchange (ETDEWEB)

    Fillo, J A; Powell, J; Steinberg, M [Brookhaven National Lab., Upton, NY (USA)

    1981-03-01

    The decreasing availability of fossil fuels emphasizes the need to develop systems which will produce synthetic fuel to substitute for and supplement the natural supply. An important first step in the synthesis of liquid and gaseous fuels is the production of hydrogen. Thermonuclear fusion offers an inexhaustible source of energy for the production of hydrogen from water. Depending on design, electric generation efficiencies of approx. equal to 40-60% and hydrogen production efficiencies by high temperature electrolysis of approx. equal to 50-70% are projected for fusion reactors using high temperature blankets. Fusion/coal symbiotic systems appear economically promising for the first generation of commercial fusion synfuels plants. Coal production requirements and the environmental effects of large-scale coal usage would be greatly reduced by a fusion/coal system. In the long-term, there could be a gradual transition to an inexhaustible energy system based solely on fusion.

  5. An efficient sodium citrate-promoted synthetic method for the preparation of AuNPs@mesoSiO2 for surface enhanced Raman spectroscopy in the detection of diluted blood

    Directory of Open Access Journals (Sweden)

    Yun Zou

    2017-12-01

    Full Text Available We report on a novel, green, and efficient organically synthetic method for the preparation of gold nanoparticles embedded in mesoporous silica (AuNPs@mesoSiO2. AuNPs@mesoSiO2 prepared by one-pot synthesis method using sodium citrate as the key reactant was applied for surface enhanced Raman spectroscopy (SERS application in the analysis of diluted blood traces. The synthesized nanoparticles are of high quality, as characterized by use of X-ray diffraction, scanning electron microscopy and transmission electron microscopy. They exhibit high surface areas (170.18–883 m2/g and significant SERS enhancement. Detection of diluted blood (v/v, 1:50 traces through AuNPs@mesoSiO2 enhanced SERS is demonstrated, which has not been studied in previous literature. The combination of the SERS and AuNPs@mesoSiO2 would be a valuable tool for forensic investigation. Keywords: Gold nanoparticles, Mesoporous materials, Synthesis, SERS, Blood trace

  6. Ion exchange of strontium on synthetic hydroxyapatite

    International Nuclear Information System (INIS)

    Lazic, S.; Vukovic, Z.

    1991-01-01

    Adsorption of strontium ions on synthetic hydroxyapatite was examined using both batch and column methods. The apatite was prepared from aqueous solutions and characterized by standard analytical methods. The sample obtained had characteristics of well crystallized stoichiometric hydroxyapatite. The experimental data for sorption of strontium can be very well fitted with Langmuir's adsorption isotherm. It was found that sorption occurs by an ion exchange reaction between strontium ions in solution and calcium ions in apatite. (author) 14 refs.; 5 figs.; 1 tab

  7. Data-driven approach for creating synthetic electronic medical records.

    Science.gov (United States)

    Buczak, Anna L; Babin, Steven; Moniz, Linda

    2010-10-14

    New algorithms for disease outbreak detection are being developed to take advantage of full electronic medical records (EMRs) that contain a wealth of patient information. However, due to privacy concerns, even anonymized EMRs cannot be shared among researchers, resulting in great difficulty in comparing the effectiveness of these algorithms. To bridge the gap between novel bio-surveillance algorithms operating on full EMRs and the lack of non-identifiable EMR data, a method for generating complete and synthetic EMRs was developed. This paper describes a novel methodology for generating complete synthetic EMRs both for an outbreak illness of interest (tularemia) and for background records. The method developed has three major steps: 1) synthetic patient identity and basic information generation; 2) identification of care patterns that the synthetic patients would receive based on the information present in real EMR data for similar health problems; 3) adaptation of these care patterns to the synthetic patient population. We generated EMRs, including visit records, clinical activity, laboratory orders/results and radiology orders/results for 203 synthetic tularemia outbreak patients. Validation of the records by a medical expert revealed problems in 19% of the records; these were subsequently corrected. We also generated background EMRs for over 3000 patients in the 4-11 yr age group. Validation of those records by a medical expert revealed problems in fewer than 3% of these background patient EMRs and the errors were subsequently rectified. A data-driven method was developed for generating fully synthetic EMRs. The method is general and can be applied to any data set that has similar data elements (such as laboratory and radiology orders and results, clinical activity, prescription orders). The pilot synthetic outbreak records were for tularemia but our approach may be adapted to other infectious diseases. The pilot synthetic background records were in the 4

  8. Robust synthetic biology design: stochastic game theory approach.

    Science.gov (United States)

    Chen, Bor-Sen; Chang, Chia-Hung; Lee, Hsiao-Ching

    2009-07-15

    Synthetic biology is to engineer artificial biological systems to investigate natural biological phenomena and for a variety of applications. However, the development of synthetic gene networks is still difficult and most newly created gene networks are non-functioning due to uncertain initial conditions and disturbances of extra-cellular environments on the host cell. At present, how to design a robust synthetic gene network to work properly under these uncertain factors is the most important topic of synthetic biology. A robust regulation design is proposed for a stochastic synthetic gene network to achieve the prescribed steady states under these uncertain factors from the minimax regulation perspective. This minimax regulation design problem can be transformed to an equivalent stochastic game problem. Since it is not easy to solve the robust regulation design problem of synthetic gene networks by non-linear stochastic game method directly, the Takagi-Sugeno (T-S) fuzzy model is proposed to approximate the non-linear synthetic gene network via the linear matrix inequality (LMI) technique through the Robust Control Toolbox in Matlab. Finally, an in silico example is given to illustrate the design procedure and to confirm the efficiency and efficacy of the proposed robust gene design method. http://www.ee.nthu.edu.tw/bschen/SyntheticBioDesign_supplement.pdf.

  9. Imaging with Synthetic Aperture Radar

    CERN Document Server

    Massonnet, Didier

    2008-01-01

    Describing a field that has been transformed by the recent availability of data from a new generation of space and airborne systems, the authors offer a synthetic geometrical approach to the description of synthetic aperture radar, one that addresses physicists, radar specialists, as well as experts in image processing.  

  10. Synthetic peptides for antibody production

    NARCIS (Netherlands)

    Zegers, N.D.

    1995-01-01

    Synthetic peptides are useful tools for the generation of antibodies. The use of antibodies as specific reagents in inununochemical assays is widely applied. In this chapter, the application of synthetic peptides for the generation of antibodies is described. The different steps that lead to the

  11. Synthetic peptides for antibody production

    NARCIS (Netherlands)

    N.D. Zegers (Netty)

    1995-01-01

    textabstractSynthetic peptides are useful tools for the generation of antibodies. The use of antibodies as specific reagents in inununochemical assays is widely applied. In this chapter, the application of synthetic peptides for the generation of antibodies is described. The different steps

  12. Synthetic biology and metabolic engineering.

    Science.gov (United States)

    Stephanopoulos, Gregory

    2012-11-16

    Metabolic engineering emerged 20 years ago as the discipline occupied with the directed modification of metabolic pathways for the microbial synthesis of various products. As such, it deals with the engineering (design, construction, and optimization) of native as well as non-natural routes of product synthesis, aided in this task by the availability of synthetic DNA, the core enabling technology of synthetic biology. The two fields, however, only partially overlap in their interest in pathway engineering. While fabrication of biobricks, synthetic cells, genetic circuits, and nonlinear cell dynamics, along with pathway engineering, have occupied researchers in the field of synthetic biology, the sum total of these areas does not constitute a coherent definition of synthetic biology with a distinct intellectual foundation and well-defined areas of application. This paper reviews the origins of the two fields and advances two distinct paradigms for each of them: that of unit operations for metabolic engineering and electronic circuits for synthetic biology. In this context, metabolic engineering is about engineering cell factories for the biological manufacturing of chemical and pharmaceutical products, whereas the main focus of synthetic biology is fundamental biological research facilitated by the use of synthetic DNA and genetic circuits.

  13. The Ethics of Synthetic Biology

    DEFF Research Database (Denmark)

    Christiansen, Andreas

    The dissertation analyses and discusses a number of ethical issues that have been raised in connection with the development of synthetic biology. Synthetic biology is a set of new techniques for DNA-level design and construction of living beings with useful properties. The dissertation especially...

  14. Synthetic biology of polyketide synthases

    DEFF Research Database (Denmark)

    Yuzawa, Satoshi; Backman, Tyler W.H.; Keasling, Jay D.

    2018-01-01

    ). The modules are composed of enzymatic domains that share sequence and functional similarity across all known PKSs. We have used the nomenclature of synthetic biology to classify the enzymatic domains and modules as parts and devices, respectively, and have generated detailed lists of both. In addition, we...... realize the potential that synthetic biology approaches bring to this class of molecules....

  15. A single-arm trial indirect comparison investigation: a proof-of-concept method to predict venous leg ulcer healing time for a new acellular synthetic matrix matched to standard care control

    OpenAIRE

    Shannon, R; Nelson, A

    2017-01-01

    To compare data on time to healing from two separate cohorts: one treated with a new acellular synthetic matrix plus standard care (SC) and one matched from four large UK pragmatic, randomised controlled trials [venous leg ulcer (VLU) evidence network]. We introduce a new proof-of-concept strategy to a VLU clinical evidence network, propensity score matching and sensitivity analysis to predict the feasibility of the new acellular synthetic matrix plus SC for success in future randomised, cont...

  16. Synthetic biology for microbial heavy metal biosensors.

    Science.gov (United States)

    Kim, Hyun Ju; Jeong, Haeyoung; Lee, Sang Jun

    2018-02-01

    Using recombinant DNA technology, various whole-cell biosensors have been developed for detection of environmental pollutants, including heavy metal ions. Whole-cell biosensors have several advantages: easy and inexpensive cultivation, multiple assays, and no requirement of any special techniques for analysis. In the era of synthetic biology, cutting-edge DNA sequencing and gene synthesis technologies have accelerated the development of cell-based biosensors. Here, we summarize current technological advances in whole-cell heavy metal biosensors, including the synthetic biological components (bioparts), sensing and reporter modules, genetic circuits, and chassis cells. We discuss several opportunities for improvement of synthetic cell-based biosensors. First, new functional modules must be discovered in genome databases, and this knowledge must be used to upgrade specific bioparts through molecular engineering. Second, modules must be assembled into functional biosystems in chassis cells. Third, heterogeneity of individual cells in the microbial population must be eliminated. In the perspectives, the development of whole-cell biosensors is also discussed in the aspects of cultivation methods and synthetic cells.

  17. Computing with synthetic protocells.

    Science.gov (United States)

    Courbet, Alexis; Molina, Franck; Amar, Patrick

    2015-09-01

    In this article we present a new kind of computing device that uses biochemical reactions networks as building blocks to implement logic gates. The architecture of a computing machine relies on these generic and composable building blocks, computation units, that can be used in multiple instances to perform complex boolean functions. Standard logical operations are implemented by biochemical networks, encapsulated and insulated within synthetic vesicles called protocells. These protocells are capable of exchanging energy and information with each other through transmembrane electron transfer. In the paradigm of computation we propose, protoputing, a machine can solve only one problem and therefore has to be built specifically. Thus, the programming phase in the standard computing paradigm is represented in our approach by the set of assembly instructions (specific attachments) that directs the wiring of the protocells that constitute the machine itself. To demonstrate the computing power of protocellular machines, we apply it to solve a NP-complete problem, known to be very demanding in computing power, the 3-SAT problem. We show how to program the assembly of a machine that can verify the satisfiability of a given boolean formula. Then we show how to use the massive parallelism of these machines to verify in less than 20 min all the valuations of the input variables and output a fluorescent signal when the formula is satisfiable or no signal at all otherwise.

  18. An Efficient and Clean One-Pot Synthesis of 3,4-Dihydropyrimidine-2-(1H)-ones Catalyzed by SrCl{sub 2}·6H{sub 2}O-HCl in Solvent or Solvent-Free Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nasr-Esfahani, Masoud [Yasouj University, Yasouj (Iran, Islamic Republic of); Khosropour, Ahmad Reza [Razi University, Kermanshah (Iran, Islamic Republic of)

    2005-09-15

    We have found an efficient, inexpensive and straightforward procedure for one-pot synthesis of dihydropyrimidinones using SrCl{sub 2}·6H{sub 2}O-HCl catalyst system. Also found was the performance of the catalyst system is greatly facilitated when used without solvents, important from the view point of industry or green chemistry. Moreover, nonhygroscopic, inexpensive and non-toxic nature of the catalyst for this transformation is other noteworthy merit of this procedure. In recent years, 3,4-dihydropyrimidin-2(1H)-one derivatives have gained much interest for their biological and pharmaceutical properties, such as HIV gp-120-CD4 inhibitors, calcium channel blockers, α-adrenergic and neuropeptide Y antagonists, as well as antihypertensive, antitumor, antibacterial and anti-inflammatory agents. The scope of this pharmacophore has been further increased by the identification of monastrol as a novel cell-permeable lead compound for the development of new anticancer drugs bearing the dihydropyrimidinone core. Thus the development of facile and environmentally friendly synthetic methods towards dihydropyrimidinones constitutes an active area of investigation in organic synthesis.

  19. Synthetic Biology: Advancing Biological Frontiers by Building Synthetic Systems

    OpenAIRE

    Chen, Yvonne Yu-Hsuan; Galloway, Kate E; Smolke, Christina D

    2012-01-01

    Advances in synthetic biology are contributing to diverse research areas, from basic biology to biomanufacturing and disease therapy. We discuss the theoretical foundation, applications, and potential of this emerging field.

  20. Synthetic biology approaches to fluorinated polyketides.

    Science.gov (United States)

    Thuronyi, Benjamin W; Chang, Michelle C Y

    2015-03-17

    The catalytic diversity of living systems offers a broad range of opportunities for developing new methods to produce small molecule targets such as fuels, materials, and pharmaceuticals. In addition to providing cost-effective and renewable methods for large-scale commercial processes, the exploration of the unusual chemical phenotypes found in living organisms can also enable the expansion of chemical space for discovery of novel function by combining orthogonal attributes from both synthetic and biological chemistry. In this context, we have focused on the development of new fluorine chemistry using synthetic biology approaches. While fluorine has become an important feature in compounds of synthetic origin, the scope of biological fluorine chemistry in living systems is limited, with fewer than 20 organofluorine natural products identified to date. In order to expand the diversity of biosynthetically accessible organofluorines, we have begun to develop methods for the site-selective introduction of fluorine into complex natural products by engineering biosynthetic machinery to incorporate fluorinated building blocks. To gain insight into how both enzyme active sites and metabolic pathways can be evolved to manage and select for fluorinated compounds, we have studied one of the only characterized natural hosts for organofluorine biosynthesis, the soil microbe Streptomyces cattleya. This information provides a template for designing engineered organofluorine enzymes, pathways, and hosts and has allowed us to initiate construction of enzymatic and cellular pathways for the production of fluorinated polyketides.