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Sample records for compound optimization ultra-high-pressure

  1. Effect of ultra high pressure homogenization treatment on the bioactive compounds of soya milk.

    Science.gov (United States)

    Toro-Funes, N; Bosch-Fusté, J; Veciana-Nogués, M T; Vidal-Carou, M C

    2014-01-01

    Ultra high pressure homogenization (UHPH) is a useful novel technology to obtain safe and high-quality liquid foods. The effect of UHPH at 200 and 300 MPa in combination with different inlet temperatures (Tin) (55, 65 and 75 °C) on the bioactive compounds of soya milk was studied. Total phytosterols increased with the higher combination of pressure and temperature. The main phytosterol was β-sitosterol, followed by stigmasterol and campesterol. Total tocopherols in UHPH-treated soya milks decreased as the temperature and pressure increased. UHPH treatment also affected the different chemical forms of tocopherols. No biogenic amines were detected in any of the analyzed soya milks. Meanwhile, the polyamines SPD and SPM were found in all soya milks, being stable to the UHPH treatment. Total isoflavones increased with the higher combination of pressure and temperature. No differences in the isoflavone profile were found, with β-glucoside conjugates being the predominant form. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Optimized ultra-high-pressure-assisted extraction of procyanidins from lychee pericarp improves the antioxidant activity of extracts.

    Science.gov (United States)

    Zhang, Ruifen; Su, Dongxiao; Hou, Fangli; Liu, Lei; Huang, Fei; Dong, Lihong; Deng, Yuanyuan; Zhang, Yan; Wei, Zhencheng; Zhang, Mingwei

    2017-08-01

    To establish optimal ultra-high-pressure (UHP)-assisted extraction conditions for procyanidins from lychee pericarp, a response surface analysis method with four factors and three levels was adopted. The optimum conditions were as follows: 295 MPa pressure, 13 min pressure holding time, 16.0 mL/g liquid-to-solid ratio, and 70% ethanol concentration. Compared with conventional ethanol extraction and ultrasonic-assisted extraction methods, the yields of the total procyanidins, flavonoids, and phenolics extracted using the UHP process were significantly increased; consequently, the oxygen radical absorbance capacity and cellular antioxidant activity of UHP-assisted lychee pericarp extracts were substantially enhanced. LC-MS/MS and high-performance liquid chromatography quantification results for individual phenolic compounds revealed that the yield of procyanidin compounds, including epicatechin, procyanidin A2, and procyanidin B2, from lychee pericarp could be significantly improved by the UHP-assisted extraction process. This UHP-assisted extraction process is thus a practical method for the extraction of procyanidins from lychee pericarp.

  3. Ultra-high pressure water jet: Baseline report

    International Nuclear Information System (INIS)

    1997-01-01

    The ultra-high pressure waterjet technology was being evaluated at Florida International University (FIU) as a baseline technology. In conjunction with FIU's evaluation of efficiency and cost, this report covers the evaluation conducted for safety and health issues. It is a commercially available technology and has been used for various projects at locations throughout the country. The ultra-high pressure waterjet technology acts as a cutting tool for the removal of surface substrates. The Husky trademark pump feeds water to a lance that directs the high pressure water at the surface to be removed. The safety and health evaluation during the testing demonstration focused on two main areas of exposure. These were dust and noise. The dust exposure was found to be minimal, which would be expected due to the wet environment inherent in the technology, but noise exposure was at a significant level. Further testing for noise is recommended because of the outdoor environment where the testing demonstration took place. In addition, other areas of concern found were arm-hand vibration, ergonomics, heat stress, tripping hazards, electrical hazards, lockout/tagout, fall hazards, slipping hazards, hazards associated with the high pressure water, and hazards associated with air pressure systems

  4. Optimization of ultra-high pressure liquid chromatography - tandem mass spectrometry determination in plasma and red blood cells of four sphingolipids and their evaluation as biomarker candidates of Gaucher's disease.

    Science.gov (United States)

    Chipeaux, Caroline; de Person, Marine; Burguet, Nathalie; Billette de Villemeur, Thierry; Rose, Christian; Belmatoug, Nadia; Héron, Sylvie; Le Van Kim, Caroline; Franco, Mélanie; Moussa, Fathi

    2017-11-24

    While important advances have been recently achieved in the optimization of lipid classes' separation, information on the specific determination of medium polarity lipids such as sphingolipids (SLs) in highly complex matrices remains fragmentary. In human, disorders of SL metabolism known as sphingolipidoses are a heterogeneous group of inherited disorders affecting primarily the central nervous. Early diagnosis of these conditions is of importance notably when a corrective therapy is available. The diagnosis is generally based on the determination of specific SLs in plasma and red blood cells (RBCs). For instance, glucosylceramide (GL1), glucosylsphingosine (Lyso-GL1), sphingosine (Sph), and sphingosine-1-phosphate (S1P) are proposed as relevant biomarkers for Gaucher disease (GD). Our main objective was to evaluate these biomarker candidates in a cohort of GD patients. However, most of current methods of GL1, Lyso-GL1, Sph, and S1P determination in plasma of GD patients require at least two liquid chromatographic runs. On the other hand, except for GL1 nothing is known concerning the RBC sphingolipid content. Yet, several reversed phase LC-MS methods of SLs separation and/or determination in various media with different sample preparation approaches have been proposed since 2010. Here we focused on stationary phase selection and mobile phase composition as well as on the sample preparation step to optimize and validate an UHPLC-MS/MS method for the simultaneous quantification of the four sphingolipids in both plasma and RBCs. A comparison between seven stationary phases including two RP18, two polar embedded RP18, and three HILIC phases shows that under our conditions polar embedded RP18 phases are the most appropriate for the separation of the four SLs, in terms of efficiency, peak symmetry, and separation time. In the same way, a comparison between a single step extraction with methanol and a liquid-liquid extraction with a mixture of methanol/methyl tert

  5. Application of ultra high pressure (UHP) in starch chemistry.

    Science.gov (United States)

    Kim, Hyun-Seok; Kim, Byung-Yong; Baik, Moo-Yeol

    2012-01-01

    Ultra high pressure (UHP) processing is an attractive non-thermal technique for food treatment and preservation at room temperature, with the potential to achieve interesting functional effects. The majority of UHP process applications in food systems have focused on shelf-life extension associated with non-thermal sterilization and a reduction or increase in enzymatic activity. Only a few studies have investigated modifications of structural characteristics and/or protein functionalities. Despite the rapid expansion of UHP applications in food systems, limited information is available on the effects of UHP on the structural and physicochemical properties of starch and/or its chemical derivatives included in most processed foods as major ingredients or minor additives. Starch and its chemical derivatives are responsible for textural and physical properties of food systems, impacting their end-use quality and/or shelf-life. This article reviews UHP processes for native (unmodified) starch granules and their effects on the physicochemical properties of UHP-treated starch. Furthermore, functional roles of UHP in acid-hydrolysis, hydroxypropylation, acetylation, and cross-linking reactions of starch granules, as well as the physicochemical properties of UHP-assisted starch chemical derivatives, are discussed.

  6. Flavor characterization of sugar-added pennywort (Centella asiatica L.) juices treated with ultra-high pressure and thermal processes.

    Science.gov (United States)

    Apichartsrangkoon, Arunee; Wongfhun, Pronprapa; Gordon, Michael H

    2009-01-01

    The flavor characteristics of pennywort juices with added sugar treated by ultra-high pressure, pasteurization, and sterilization were investigated using solid phase microextraction combined with gas chromatography-mass spectrometry. It was found that sesquiterpene hydrocarbons comprised the major class of volatile components present and the juices had a characteristic aroma due to the presence of volatiles including beta-caryophyllene and humulene and alpha-copaene. In comparison with heated juices, HPP-treated samples could retain more volatile compounds such as linalool and geraniol similar to those present in fresh juice, whereas some volatiles such as alpha-terpinene and ketone class were apparently formed by thermal treatment. All processing operations produced juice that was not significantly different in the concentration of total volatiles. Practical Application: Pennywort juice is considered a nutraceutical drink for health benefits. Therefore, to preserve all aroma and active components in this juice, a nonthermal process such as ultra-high pressure should be a more appropriate technique for retention of its nutritive values than pasteurization and sterilization.

  7. Deformation and degradation of polymers in ultra-high-pressure liquid chromatography

    NARCIS (Netherlands)

    Uliyanchenko, E.; van der Wal, S.; Schoenmakers, P.J.

    2011-01-01

    Ultra-high-pressure liquid chromatography (UHPLC) using columns packed with sub-2 μm particles has great potential for separations of many types of complex samples, including polymers. However, the application of UHPLC for the analysis of polymers meets some fundamental obstacles. Small particles

  8. Kinetic and thermodynamic analysis of ultra-high pressure and heat ...

    African Journals Online (AJOL)

    Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine serum albumin (BSA) with IgG pre-treated with ultra-high pressure (UHP) and moderate heat. Methods: BSA solutions were processed at 100 – 600 MPa and 25 – 40 °C. We applied an optical biosensor based on surface ...

  9. Diamond dispersed cemented carbide produced without using ultra high pressure equipment

    International Nuclear Information System (INIS)

    Moriguchi, H.; Tsuzuki, K.; Ikegaya, A.

    2001-01-01

    We have developed a composite material of dispersed diamond particles in cemented carbide without using ultra high pressure equipment. The developed diamond dispersed cemented carbide combines the excellent properties of cemented carbide with diamond and also provides 1.5 times improved fracture toughness over that of cemented carbide. They also show 10 times higher wear resistance over that of cemented carbide in a wear resistance test against bearing steel, and 5 times greater grindability than diamond compacts. Because ultra high pressure equipment is not used to produce the developed material, large compacts over 100 mm in diameter can be manufactured. The developed material showed 10-25 times higher wear resistance in real use as wear-resistant tools such as centerless blades and work-rests. (author)

  10. A Manganin Thin Film Ultra-High Pressure Sensor for Microscale Detonation Pressure Measurement

    Directory of Open Access Journals (Sweden)

    Guodong Zhang

    2018-03-01

    Full Text Available With the development of energetic materials (EMs and microelectromechanical systems (MEMS initiating explosive devices, the measurement of detonation pressure generated by EMs in the microscale has become a pressing need. This paper develops a manganin thin film ultra-high pressure sensor based on MEMS technology for measuring the output pressure from micro-detonator. A reliable coefficient is proposed for designing the sensor’s sensitive element better. The sensor employs sandwich structure: the substrate uses a 0.5 mm thick alumina ceramic, the manganin sensitive element with a size of 0.2 mm × 0.1 mm × 2 μm and copper electrodes of 2 μm thick are sputtered sequentially on the substrate, and a 25 μm thick insulating layer of polyimide is wrapped on the sensitive element. The static test shows that the piezoresistive coefficient of manganin thin film is 0.0125 GPa−1. The dynamic experiment indicates that the detonation pressure of micro-detonator is 12.66 GPa, and the response time of the sensor is 37 ns. In a word, the sensor developed in this study is suitable for measuring ultra-high pressure in microscale and has a shorter response time than that of foil-like manganin gauges. Simultaneously, this study could be beneficial to research on ultra-high-pressure sensors with smaller size.

  11. Inactivation of Bacillus spores inoculated in milk by Ultra High Pressure Homogenization.

    Science.gov (United States)

    Amador Espejo, Genaro Gustavo; Hernández-Herrero, M M; Juan, B; Trujillo, A J

    2014-12-01

    Ultra High-Pressure Homogenization treatments at 300 MPa with inlet temperatures (Ti) of 55, 65, 75 and 85 °C were applied to commercial Ultra High Temperature treated whole milk inoculated with Bacillus cereus, Bacillus licheniformis, Bacillus sporothermodurans, Bacillus coagulans, Geobacillus stearothermophilus and Bacillus subtilis spores in order to evaluate the inactivation level achieved. Ultra High-Pressure Homogenization conditions at 300 MPa with Ti = 75 and 85 °C were capable of a spore inactivation of ∼5 log CFU/mL. Furthermore, under these processing conditions, commercial sterility (evaluated as the complete inactivation of the inoculated spores) was obtained in milk, with the exception of G. stearothermophilus and B. subtilis treated at 300 MPa with Ti = 75 °C. The results showed that G. stearothermophilus and B. subtilis have higher resistance to the Ultra High-Pressure Homogenization treatments applied than the other microorganisms inoculated and that a treatment performed at 300 MPa with Ti = 85 °C was necessary to completely inactivate these microorganisms at the spore level inoculated (∼1 × 10(6) CFU/mL). Besides, a change in the resistance of B. licheniformis, B. sporothermodurans, G. stearothermophilus and B. subtilis spores was observed as the inactivation obtained increased remarkably in treatments performed with Ti between 65 and 75 °C. This study provides important evidence of the suitability of UHPH technology for the inactivation of spores in high numbers, leading to the possibility of obtaining commercially sterile milk. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. Physicochemical properties and storage stability of soybean protein nanoemulsions prepared by ultra-high pressure homogenization.

    Science.gov (United States)

    Xu, Jing; Mukherjee, Dipaloke; Chang, Sam K C

    2018-02-01

    This study investigated the effects of the ultrahigh pressure homogenization (pressure, protein concentration, oil phase fraction, pH, temperature, and ionic strength) and storage on the properties of nanoemulsions (100-500nm range), which were stabilized by laboratory-prepared soybean protein isolate (SPI), β-conglycinin (7S) and glycinin (11S). The nanoemulsions made with SPI, 7S and 11S proteins exhibited considerable stability over various ionic strengths (0-500mM NaCl), pH (7), thermal treatments (30-60°C) and storage (0-45days). The far-UV spectra of SPI, 7S, 11S dispersions, and SPI-, 7S-, 11S protein-stabilized nanoemulsions were analyzed for the protein structural changes following lipid removal. The ultra-high pressure homogenization changed the secondary structure of SPI, 7S, 11S proteins in the nanoemulsions, and enhanced their stability. This study demonstrated that SPI, 7S, and 11S proteins can be used as effective emulsifiers in nanoemulsions prepared by ultra-high pressure homogenization. Copyright © 2017. Published by Elsevier Ltd.

  13. Application of Ultra High Pressure Cavitation Peening to Prevent PWSCC on Primary Plant Components

    Energy Technology Data Exchange (ETDEWEB)

    Poling, G.R.

    2015-07-01

    Primary Water Stress Corrosion Cracking (PWSCC) on Alloy 600/82/182 susceptible materials can lead to increased costs for maintenance and repair/replacement activities on nuclear power plant primary components. A process called Ultra High Pressure (UHP) cavitation peening can be safely and cost effectively applied to the susceptible materials to generate compressive stresses on the surface and prevent PWSCC initiation. AREVA has developed the tooling systems to apply the UHP cavitation peening process on reactor vessel head penetration nozzles, bottom mounted nozzles and primary nozzles. Applying the UHP cavitation peening process before PWSCC initiation will prevent future repairs/replacements, reduce maintenance costs, and provide more effective on-time for the reactor. (Author)

  14. An Evaluation of Ultra-High Pressure Regulator for Robotic Lunar Landing Spacecraft

    Science.gov (United States)

    Burnside, Christopher; Trinh, Huu; Pedersen, Kevin

    2011-01-01

    The Robotic Lunar Lander Development (RLLD) Project Office at NASA Marshall Space Flight Center (MSFC) has studied several lunar surface science mission concepts. These missions focus on spacecraft carrying multiple science instruments and power systems that will allow extended operations on the lunar surface. Initial trade studies of launch vehicle options for these mission concepts indicate that the spacecraft design will be significantly mass-constrained. To minimize mass and facilitate efficient packaging, the notional propulsion system for these landers has a baseline of an ultra-high pressure (10,000 psig) helium pressurization system that has been used on Defense missiles. The qualified regulator is capable of short duration use; however, the hardware has not been previously tested at NASA spacecraft requirements with longer duration. Hence, technical risks exist in using this missile-based propulsion component for spacecraft applications. A 10,000-psig helium pressure regulator test activity is being carried out as part of risk reduction testing for MSFC RLLD project. The goal of the test activity is to assess the feasibility of commercial off-the-shelf ultra-high pressure regulator by testing with a representative flight mission profile. Slam-start, gas blowdown, water expulsion, lock-up, and leak tests are also performed on the regulator to assess performance under various operating conditions. The preliminary test results indicated that the regulator can regulate helium to a stable outlet pressure of 740 psig within the +/- 5% tolerance band and maintain a lock-up pressure less than +5% for all tests conducted. Numerous leak tests demonstrated leakage less than 10-3 standard cubic centimeters per second (SCCS) for internal seat leakage at lock-up and less than10-5 SCCS for external leakage through the regulator ambient reference cavity. The successful tests have shown the potential for 10,000 psig helium systems in NASA spacecraft and have reduced risk

  15. Profiling of nonvolatiles in whiskeys using ultra high pressure liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS).

    Science.gov (United States)

    Collins, Thomas S; Zweigenbaum, Jerry; Ebeler, Susan E

    2014-11-15

    Commercial samples of 63 American whiskeys, including bourbon whiskeys, Tennessee whiskeys, rye whiskeys and other blended whiskeys were analysed using ultra high pressure liquid chromatography (UHPLC) coupled with quadrupole time-of-flight (QTOF) mass spectrometry (MS). The non-volatile composition of the whiskeys was used to model differences among the samples using discriminant analysis. The blended American whiskeys were readily distinguished from the remaining types. Additionally, most Tennessee whiskeys could be differentiated from bourbon and rye whiskeys. Similarly, younger (8 years old) whiskeys could be separated. The compounds important for differentiating among these whiskeys included wood derived phenolic compounds, lignan derived compounds and several C8 and larger lipids. A number of additional compounds differentiated the whiskeys but could not be identified using MS and MS/MS data alone. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Effects of the ultra-high pressure on structure and α-glucosidase inhibition of polysaccharide from Astragalus.

    Science.gov (United States)

    Zhu, Zhen-Yuan; Luo, You; Dong, Guo-Ling; Ren, Yuan-Yuan; Chen, Li-Jing; Guo, Ming-Zhu; Wang, Xiao-Ting; Yang, Xue-Ying; Zhang, Yongmin

    2016-06-01

    A novel homogeneous polysaccharide fraction (APS) was extracted from Astragalus by hot water and purified by Sephadex G-100 and G-75 column. Its molecular weight was 693kDa. APS and APS with ultra-high pressure treatment exhibited significant inhibitory abilities on a-glucosidase, inhibition rate from high to low in order was 400MPa-APS, 300MPa-APS, 500MPa-APS and APS. The inhibition ​percentage of 400MPa-APS (1.5mg/mL) was 49% (max.). This suggested that the inhibitory activity of APS on a-glucosidase was improved by ultra-high pressure treatment. FT-IR, SEM, CD spectra, atomic force microscope and Congo red test analysis of APS and 400MPa-APS showed ultra-high pressure treatment didn't change the preliminary structure but had an effect on its advanced structure. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Method transfer from high-pressure liquid chromatography to ultra-high-pressure liquid chromatography. II. Temperature and pressure effects.

    Science.gov (United States)

    Åsberg, Dennis; Samuelsson, Jörgen; Leśko, Marek; Cavazzini, Alberto; Kaczmarski, Krzysztof; Fornstedt, Torgny

    2015-07-03

    The importance of the generated temperature and pressure gradients in ultra-high-pressure liquid chromatography (UHPLC) are investigated and compared to high-pressure liquid chromatography (HPLC). The drug Omeprazole, together with three other model compounds (with different chemical characteristics, namely uncharged, positively and negatively charged) were used. Calculations of the complete temperature profile in the column at UHPLC conditions showed, in our experiments, a temperature difference between the inlet and outlet of 16 °C and a difference of 2 °C between the column center and the wall. Through van't Hoff plots, this information was used to single out the decrease in retention factor (k) solely due to the temperature gradient. The uncharged solute was least affected by temperature with a decrease in k of about 5% while for charged solutes the effect was more pronounced, with k decreases up to 14%. A pressure increase of 500 bar gave roughly 5% increase in k for the uncharged solute, while omeprazole and the other two charged solutes gave about 25, 20 and 15% increases in k, respectively. The stochastic model of chromatography was applied to estimate the dependence of the average number of adsorption/desorption events (n) and the average time spent by a molecule in the stationary phase (τs) on temperature and pressure on peak shape for the tailing, basic solute. Increasing the temperature yielded an increase in n and decrease in τs which resulted in less skew at high temperatures. With increasing pressure, the stochastic modeling gave interesting results for the basic solute showing that the skew of the peak increased with pressure. The conclusion is that pressure effects are more pronounced for both retention and peak shape than the temperature effects for the polar or charged compounds in our study. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Influence of ultra-high pressure homogenisation on antioxidant capacity, polyphenol and vitamin content of clear apple juice.

    Science.gov (United States)

    Suárez-Jacobo, Angela; Rüfer, Corinna E; Gervilla, Ramón; Guamis, Buenaventura; Roig-Sagués, Artur X; Saldo, Jordi

    2011-07-15

    Ultra-high pressure homogenisation (UHPH) is a recently developed technology and is still under study to evaluate its effect on different aspects of its application to food products. The aim of this research work was to evaluate the effect of UHPH treatments on quality characteristics of apple juice such as antioxidant capacity, polyphenol composition, vitamin C and provitamin A contents, in comparison with raw (R) and pasteurised (PA) apple juice. Several UHPH treatments that include combinations of pressure (100, 200 and 300MPa) and inlet temperatures (4 and 20°C) were assayed. Apple juice was pasteurised at 90°C for 4min. Antioxidant capacity was analysed using the oxygen radical antioxidant capacity (ORAC), 2,2-diphenyl-1-picrylhydrazyl (DPPH), trolox equivalent antioxidant capacity (TEAC), ferric reducing antioxidant power (FRAP) assay while total phenolic content was determined by the Folin-Ciocalteau assay. According to the FRAP and DPPH assays, UHPH processing did not change apple juice antioxidant capacity. However, significant differences were detected between samples analysed by TEAC and ORAC assays. In spite of these differences, high correlation values were found between the four antioxidant capacity assays, and also with total polyphenol content. The analysis and quantification of individual phenols by HPLC/DAD analytical technique reflects that UHPH-treatment prevented degradation of these compounds. Vitamin C concentrations did not change in UHPH treated samples, retaining the same value as in raw juice. However, significant losses were observed for provitamin A content, but lower than in PA samples. UHPH-treatments at 300MPa can be an alternative to thermal treatment in order to preserve apple juice quality. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Ultra-High Pressure Homogenization enhances physicochemical properties of soy protein isolate-stabilized emulsions.

    Science.gov (United States)

    Fernández-Ávila, C; Escriu, R; Trujillo, A J

    2015-09-01

    The effect of Ultra-High Pressure Homogenization (UHPH, 100-300MPa) on the physicochemical properties of oil-in-water emulsions prepared with 4.0% (w/v) of soy protein isolate (SPI) and soybean oil (10 and 20%, v/v) was studied and compared to emulsions treated by conventional homogenization (CH, 15MPa). CH emulsions were prepared with non-heated and heated (95°C for 15min) SPI dispersions. Emulsions were characterized by particle size determination with laser diffraction, rheological properties using a rotational rheometer by applying measurements of flow curve and by transmission electron microscopy. The variation on particle size and creaming was assessed by Turbiscan® analysis, and visual observation of the emulsions was also carried out. UHPH emulsions showed much smaller d 3.2 values and greater physical stability than CH emulsions. The thermal treatment of SPI prior CH process did not improve physical stability properties. In addition, emulsions containing 20% of oil exhibited greater physical stability compared to emulsions containing 10% of oil. Particularly, UHPH emulsions treated at 100 and 200MPa with 20% of oil were the most stable due to low particle size values (d 3.2 and Span), greater viscosity and partial protein denaturation. These results address the physical stability improvement of protein isolate-stabilized emulsions by using the emerging UHPH technology. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Effects of Ultra-High Pressure Homogenization and Hydrocolloids on Physicochemical and Storage Properties of Soymilk.

    Science.gov (United States)

    Mukherjee, Dipaloke; Chang, Sam K C; Zhang, Yin; Mukherjee, Soma

    2017-10-01

    This study investigated the efficacy of ultra-high pressure homogenization (UHPH) in the presence or absence of added hydrocolloids for enhancing a range of physic-chemical properties of soymilk-which are important for extending shelf-life. Soymilk preparations containing different concentrations (0.01%, 0.02%, and 0.05%, w/v) of 2 different hydrocolloids (κ-carrageenan, κ-C, and gum Arabic, GA) were subjected to 3 different levels of UHPH (70, 140, and 210 MPa) and stored in sterilized containers at 4 °C. Emulsion properties of the soymilk preparations were analyzed over a period of 5 weeks. The results showed that soymilk with 0.05% κ-C had markedly improved storage properties, evident by significantly (P homogenization and addition of hydrocolloids to prevent aggregation of soymilk particles and the retention of antioxidant capacity. The results showed enhancement of the quality of soymilk during storage. The techniques developed can be adopted by the food industry. © 2017 Institute of Food Technologists®.

  1. EFFECT OF ULTRA-HIGH PRESSURE HOMOGENIZATION ON THE INTERACTION BETWEEN BOVINE CASEIN MICELLES AND RITONAVIR

    Science.gov (United States)

    Corzo-Martínez, M.; Mohan, M.; Dunlap, J.; Harte, F.

    2014-01-01

    Purpose The aim of this work was to develop a milk-based powder formulation appropriate for pediatric delivery of ritonavir (RIT). Methods Ultra-high pressure homogenization (UHPH) at 0.1, 300 and 500 MPa was used to process a dispersion of pasteurized skim milk (SM) and ritonavir. Loading efficiency was determined by RP-HPLC-UV; characterization of RIT:SM systems was carried out by apparent average hydrodynamic diameter and rheological measurements as well as different analytical techniques including Trp fluorescence, UV spectroscopy, DSC, FTIR and SEM; and delivery capacity of casein micelles was determined by in vitro experiments promoting ritonavir release. Results Ritonavir interacted efficiently with milk proteins, especially, casein micelles, regardless of the processing pressure; however, results suggest that, at 0.1 MPa, ritonavir interacts with caseins at the micellar surface, whilst, at 300 and 500 MPa, ritonavir is integrated to the protein matrix during UHPH treatment. Likewise, in vitro experiments showed that ritonavir release from micellar casein systems is pH dependent; with a high retention of ritonavir during simulated gastric digestion and a rapid delivery under conditions simulating the small intestine environment. Conclusions Skim milk powder, especially, casein micelles are potentially suitable and efficient carrier systems to develop novel milk-based and low-ethanol powder formulations of ritonavir appropriate for pediatric applications. PMID:25270571

  2. Novel PVA-DNA nanoparticles prepared by ultra high pressure technology for gene delivery

    International Nuclear Information System (INIS)

    Kimura, Tsuyoshi; Okuno, Akira; Miyazaki, Kozo; Furuzono, Tsutomu; Ohya, Yuichi; Ouchi, Tatsuro; Mutsuo, Shingo; Yoshizawa, Hidekazu; Kitamura, Yoshiro; Fujisato, Toshiyta; Kishida, Akio

    2004-01-01

    Polyvinyl alcohol (PVA)-DNA nanoparticles have been developed by ultra high pressure (UHP) technology. Mixture solutions of DNA and PVA having various molecular weights (Mw) and degree of saponifications (DS) were treated under 10,000 atmospheres (981 MPa) condition at 40 deg. C for 10 min. Agarose gel electrophoresis and scanning electron microscope observation revealed that the PVA-DNA nanoparticles with average diameter of about 200 nm were formed. Using PVA of higher Mw and degree of saponifications, the amount of nanoparticles formed increased. The driving force of nanoparticle formation was the hydrogen bonding between DNA and PVA. In order to apply the PVA-DNA nanoparticles for gene delivery, the cytotoxicity and the cellular uptake of them were investigated using Raw264 cell lines. The cell viability was not influenced whether the presence of the PVA-DNA nanoparticles. Further, the nanoparticles internalized into cells were observed by fluorescent microscope. These results indicates that the PVA-DNA nanoparticles prepared by UHP technology showed be useful as drug carrier, especially for gene delivery

  3. Deformation and degradation of polymers in ultra-high-pressure liquid chromatography.

    Science.gov (United States)

    Uliyanchenko, Elena; van der Wal, Sjoerd; Schoenmakers, Peter J

    2011-09-28

    Ultra-high-pressure liquid chromatography (UHPLC) using columns packed with sub-2 μm particles has great potential for separations of many types of complex samples, including polymers. However, the application of UHPLC for the analysis of polymers meets some fundamental obstacles. Small particles and narrow bore tubing in combination with high pressures generate significant shear and extensional forces in UHPLC systems, which may affect polymer chains. At high stress conditions flexible macromolecules may become extended and eventually the chemical bonds in the molecules can break. Deformation and degradation of macromolecules will affect the peak retention and the peak shape in the chromatogram, which may cause errors in the obtained results (e.g. the calculated molecular-weight distributions). In the present work we explored the limitations of UHPLC for the analysis of polymers. Degradation and deformation of macromolecules were studied by collecting and re-injecting polymer peaks and by off-line two-dimensional liquid chromatography. Polystyrene standards with molecular weight of 4 MDa and larger were found to degrade at UHPLC conditions. However, for most polymers degradation could be avoided by using low linear velocities. No degradation of 3-MDa PS (and smaller) was observed at linear velocities up to 7 mm/s. The column frits were implicated as the main sources of polymer degradation. The extent of degradation was found to depend on the type of the column and on the column history. At high flow rates degradation was observed without a column being installed. We demonstrated that polymer deformation preceded degradation. Stretched polymers eluted from the column in slalom chromatography mode (elution order opposite to that in SEC or HDC). Under certain conditions we observed co-elution of large and small PS molecules though a convolution of slalom chromatography and hydrodynamic chromatography. Copyright © 2011 Elsevier B.V. All rights reserved.

  4. Ultra-high pressure water jetting for coating removal and surface preparation

    Science.gov (United States)

    Johnson, Spencer T.

    1995-01-01

    This paper shall examine the basics of water technology with particular attention paid to systems currently in use and some select new applications. By providing an overview of commercially available water jet systems in the context of recent case histories, potential users may evaluate the process for future applications. With the on going introduction of regulations prohibiting the use of chemical paint strippers, manual scrapping and dry abrasive media blasting, the need for an environmentally compliant coating removal process has been mandated. Water jet cleaning has been a traditional part of many industrial processed for year, although it has only been in the last few years that reliable pumping equipment capable of ultra-high pressure operation have become available. With the advent of water jet pumping equipment capable of sustaining pressures in excess of 36,000 psi. there has been shift away from lower pressure, high water volume systems. One of the major factors in driving industry to seek higher pressures is the ability to offer higher productivity rates while lowering the quantity of water used and subsequently reprocessed. Among benefits of the trend toward higher pressure/lower volume systems is the corresponding reduction in water jet reaction forces making hand held water jetting practical and safe. Other unique applications made possible by these new generation pumping systems include the use of alternative fluids including liquid ammonia for specialized and hazardous material removal applications. A review of the equipment used and the required modifications will be presented along with the conclusions reached reached during this test program.

  5. Divergent plate motion drives rapid exhumation of (ultra)high pressure rocks

    Science.gov (United States)

    Liao, Jie; Malusà, Marco G.; Zhao, Liang; Baldwin, Suzanne L.; Fitzgerald, Paul G.; Gerya, Taras

    2018-06-01

    Exhumation of (ultra)high pressure [(U)HP] rocks by upper-plate divergent motion above an unbroken slab, first proposed in the Western Alps, has never been tested by numerical methods. We present 2D thermo-mechanical models incorporating subduction of a thinned continental margin beneath either a continental or oceanic upper plate, followed by upper-plate divergent motion away from the lower plate. Results demonstrate how divergent plate motion may trigger rapid exhumation of large volumes of (U)HP rocks directly to the Earth's surface, without the need for significant overburden removal by erosion. Model exhumation paths are fully consistent with natural examples for a wide range of upper-plate divergence rates. Exhumation rates are systematically higher than the divergent rate imposed to the upper plate, and the modeled size of exhumed (U)HP domes is invariant for different rates of upper-plate divergence. Major variations are instead predicted at depth for differing model scenarios, as larger amounts of divergent motion may allow mantle-wedge exhumation to shallow depth under the exhuming domes. The transient temperature increase, due to ascent of mantle-wedge material in the subduction channel, has a limited effect on exhumed continental (U)HP rocks already at the surface. We test two examples, the Cenozoic (U)HP terranes of the Western Alps (continental upper plate) and eastern Papua New Guinea (oceanic upper plate). The good fit between model predictions and the geologic record in these terranes encourages the application of these models globally to pre-Cenozoic (U)HP terranes where the geologic record of exhumation is only partly preserved.

  6. Phase transformations in cerium and thorium metals at ultra high pressures

    International Nuclear Information System (INIS)

    Vohra, Y.K.

    1991-01-01

    This paper reports on the role of pressure variable in phase transformation which has not been fully exploited in metallic elements and their alloys. The static compression of over 50% in volume can readily be obtained in most metals and this tremendous change in inter-atomic distances can lead to the formation of new exotic crystal structures. The pressure-induced electron transfer amongst existing electronic energy bands and the occupation of new bands are the driving forces in a rich variety of phase transformations. The modern high pressure diamond anvil cell techniques can produce calibrated static pressures of over 300 to 400 GPa range and this technology, when interfaced with the synchrotron radiation sources, can yield rapid structural information (1-3). These capabilities have given new impetus for investigation of phase transformations in metallic systems at extreme conditions of temperatures and pressures and in establishing phase boundaries at high pressures and high temperatures. Cerium (Ce) and thorium (Th) metals occupy special positions in the periodic table at the beginning of the 4-f lanthanide and 5-f, actinide series, respectively. Ce has one electron in the localized 4-f shell, apart from the three valence electrons. Th metal, on the other hand, has four valence electrons and an unoccupied 5-f band above the Fermi-energy at ambient conditions. In view of the unoccupied 5-f band, Th metal is normally regarded as a tetravalent transition metal like Ti, Zr, and Hf and its bonding and other electronic properties can be explained within the tetravalent transition metal framework. However, the application of ultra-high pressures causes the delocalization of the 4-f shell in Ce and it is believed that Ce above 0.8 GPa pressure is a 4-f band metal

  7. Acceptance test procedure for the ultra high pressure bore head for use in the self-installing liquid observation well

    International Nuclear Information System (INIS)

    Hertelendy, N.A.

    1995-01-01

    In order to monitor waste stored in single-shell tanks, liquid observation wells (LOWs) are installed to permit periodic insertion of instrumentation probes to evaluate the waste cross sections. An ultra high pressure water bore head, developed for installing instrument trees, was adapted for use with the LOWs. The modification facilitates the removal of the high pressure water feed system after installation. This document describes a series of tests that ensures that the design meets all the functional requirements

  8. Generation and stabilization of whey-based monodisperse naoemulsions using ultra-high pressure homogenization and small amphipathic co-emulsifier combinations

    Science.gov (United States)

    Ultra-high-pressure homogenization (UHPH) was used to generate monodisperse stable peanut oil nanoemulsions within a desired nanosize range (whey protein concentrate (WPC), sodium dodecyl sulfate, Triton X-100 (X100), and zwitterionic sulfobetaine-base...

  9. PREFACE: Rheology and Elasticity Studies at Ultra-High Pressures and Temperatures

    Science.gov (United States)

    Liu, Haozhe; Wenk, Hans-Rudolf; Duffy, Thomas S.

    2006-06-01

    One of the major goals of geophysical research is to understand deformation in the deep Earth. The COMPRES (Consortium for Materials Properties Research in Earth Sciences) workshop on `Rheology and Elasticity Studies at Ultra-High Pressures and Temperatures' was held on 21-23 October 2005 at the Advanced Photon Source, Argonne National Laboratory, organized by Haozhe Liu, Hans-Rudolf Wenk and Thomas S Duffy, and provided an opportunity to assemble more than 50 scientists from six countries. Experts in diamond anvil cell (DAC) design, large-volume high-pressure apparatus and data analysis defined the current state of ultra-high pressure deformation studies and explored initiatives to push the technological frontier. The DAC, when used in radial diffraction geometry, emerges as a powerful tool for investigation of plasticity and elasticity of materials at high pressures. More information regarding this workshop can be found at the website: http://www.hpcat.aps.anl.gov/Hliu/Workshop/Index1.htm. In this special issue of Journal of Physics: Condensed Matter, 17 manuscripts review the state-of-the-art and we hope they will stimulate researchers to participate in this field and take it forward to a new level. A major incentive for high-pressure research has been the need of geophysicists to understand composition, physical properties and deformation in the deep Earth in order to interpret the macroscopically observed seismic anisotropy. In the mantle and core, materials deform largely in a ductile manner at low stresses and strain rates. From observational inferences and experiments at lower pressures, it is considered plausible that deformation occurs in the field of dislocation creep or diffusion creep and deformation mechanisms depend in a complex way on stress, strain rate, pressure, temperature, grain size and hydration state. With novel apparatus such as the rotational Drickamer press or deformation DIA (D-DIA) multianvil apparatus, large volumes (approximately 10

  10. Advanced Production Surface Preparation Technology Development for Ultra-High Pressure Diesel Injection

    Energy Technology Data Exchange (ETDEWEB)

    Grant, Marion B.

    2012-04-30

    In 2007, An Ultra High Injection Pressure (UHIP) fueling method has been demonstrated by Caterpillar Fuel Systems - Product Development, demonstrating ability to deliver U.S. Environment Protection Agency (EPA) Tier 4 Final diesel engine emission performance with greatly reduced emissions handling components on the engine, such as without NOx reduction after-treatment and with only a through-flow 50% effective diesel particulate trap (DPT). They have shown this capability using multiple multi-cylinder engine tests of an Ultra High Pressure Common Rail (UHPCR) fuel system with higher than traditional levels of CEGR and an advanced injector nozzle design. The system delivered better atomization of the fuel, for more complete burn, to greatly reduce diesel particulates, while CEGR or high efficiency NOx reduction after-treatment handles the NOx. With the reduced back pressure of a traditional DPT, and with the more complete fuel burn, the system reduced levels of fuel consumption by 2.4% for similar delivery of torque and horsepower over the best Tier 4 Interim levels of fuel consumption in the diesel power industry. The challenge is to manufacture the components in high-volume production that can withstand the required higher pressure injection. Production processes must be developed to increase the toughness of the injector steel to withstand the UHIP pulsations and generate near perfect form and finish in the sub-millimeter size geometries within the injector. This project resulted in two developments in 2011. The first development was a process and a machine specification by which a high target of compressive residual stress (CRS) can be consistently imparted to key surfaces of the fuel system to increase the toughness of the steel, and a demonstration of the feasibility of further refinement of the process for use in volume production. The second development was the demonstration of the feasibility of a process for imparting near perfect, durable geometry to

  11. Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues.

    Science.gov (United States)

    Farré, M; Picó, Y; Barceló, D

    2014-02-07

    The analysis of pesticides residues using a last generation high resolution and high mass accuracy hybrid linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap-MS) was explored. Pesticides were extracted from fruits, fish, bees and sediments by QuEChERS and from water by solid-phase with Oasis HLB cartridges. Ultra-high pressure liquid chromatography (UHPLC)-LTQ-Orbitrap mass spectrometer acquired full scan MS data for quantification, and data dependent (dd) MS(2) and MS(3) product ion spectra for identification and/or confirmation. The regression coefficients (r(2)) for the calibration curves (two order of magnitude up to the lowest calibration level) in the study were ≥0.99. The LODs for 54 validated compounds were ≤2ngmL(-1) (analytical standards). The relative standard deviation (RSD), which was used to estimate precision, was always lower than 22%. The recovery of extraction and matrix effects ranged from 58 to 120% and from -92 to 52%, respectively. Mass accuracy was always ≤4ppm, corresponding to a maximum mass error of 1.6millimass units (mmu). This procedure was then successfully applied to pesticide residues in a set of the above-mentioned food and environmental samples. In addition to target analytes, this method enables the simultaneous detection/identification of non-target pesticides, pharmaceuticals, drugs of abuse, mycotoxins, and their metabolites. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    Terzic, Senka; Ahel, Marijan

    2011-01-01

    A comprehensive analytical procedure for a reliable identification of nontarget polar contaminants in aquatic sediments was developed, based on the application of ultra-high-pressure liquid chromatography (UHPLC) coupled to hybrid quadrupole time-of-flight mass spectrometry (QTOFMS). The procedure was applied for the analysis of freshwater sediment that was highly impacted by wastewater discharges from the pharmaceutical industry. A number of different contaminants were successfully identified owing to the high mass accuracy of the QTOFMS system, used in combination with high chromatographic resolution of UHPLC. The major compounds, identified in investigated sediment, included a series of polypropylene glycols (n = 3-16), alkylbenzene sulfonate and benzalkonium surfactants as well as a number of various pharmaceuticals (chlorthalidone, warfarin, terbinafine, torsemide, zolpidem and macrolide antibiotics). The particular advantage of the applied technique is its capability to detect less known pharmaceutical intermediates and/or transformation products, which have not been previously reported in freshwater sediments. - Research highlights: → UHPLC-QTOFMS coupling was applied for nontarget analysis of polar contaminants. → Wide spectrum of polar contaminants was identified in polluted sediments. → Pharmaceuticals and their intermediates were present in high concentrations. - Comprehensive analysis of freshwater sediments by UPLC/QTOF indicated importance of pharmaceutically-derived polar contaminants.

  13. Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Terzic, Senka, E-mail: terzic@irb.h [Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb (Croatia); Ahel, Marijan [Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb (Croatia)

    2011-02-15

    A comprehensive analytical procedure for a reliable identification of nontarget polar contaminants in aquatic sediments was developed, based on the application of ultra-high-pressure liquid chromatography (UHPLC) coupled to hybrid quadrupole time-of-flight mass spectrometry (QTOFMS). The procedure was applied for the analysis of freshwater sediment that was highly impacted by wastewater discharges from the pharmaceutical industry. A number of different contaminants were successfully identified owing to the high mass accuracy of the QTOFMS system, used in combination with high chromatographic resolution of UHPLC. The major compounds, identified in investigated sediment, included a series of polypropylene glycols (n = 3-16), alkylbenzene sulfonate and benzalkonium surfactants as well as a number of various pharmaceuticals (chlorthalidone, warfarin, terbinafine, torsemide, zolpidem and macrolide antibiotics). The particular advantage of the applied technique is its capability to detect less known pharmaceutical intermediates and/or transformation products, which have not been previously reported in freshwater sediments. - Research highlights: UHPLC-QTOFMS coupling was applied for nontarget analysis of polar contaminants. Wide spectrum of polar contaminants was identified in polluted sediments. Pharmaceuticals and their intermediates were present in high concentrations. - Comprehensive analysis of freshwater sediments by UPLC/QTOF indicated importance of pharmaceutically-derived polar contaminants.

  14. Creation of ultra-high-pressure shocks by the collision of laser-accelerated disks: experiment and theory

    International Nuclear Information System (INIS)

    Rosen, M.D.; Phillion, D.W.; Price, R.H.; Campbell, E.M.; Obenschain, S.P.; Whitlock, R.R.; McLean, E.A.; Ripin, B.H.

    1983-01-01

    We have used the SHIVA laser system to accelerate carbon disks to speeds in excess of 100 km/sec. The 3KJ/3 ns pulse, on a 1 mm diameter spot of a single disk produced a conventional shock of about 5 MB. The laser energy can, however, be stored in kinetic motion of this accelerated disk and delivered (reconverted to thermal energy) upon impact with another carbon disk. This collision occurs in a time much shorter than the 3 ns pulse, thus acting as a power amplifier. The shock pressures measured upon impact are estimated to be in the 20 MB range, thus demonstrating the amplification power of this colliding disk technique in creating ultra-high pressures. Theory and computer simulations of this process will be discussed, and compared with the experiment

  15. Ultra-High Pressure Homogenization improves oxidative stability and interfacial properties of soy protein isolate-stabilized emulsions.

    Science.gov (United States)

    Fernandez-Avila, C; Trujillo, A J

    2016-10-15

    Ultra-High Pressure Homogenization (100-300MPa) has great potential for technological, microbiological and nutritional aspects of fluid processing. Its effect on the oxidative stability and interfacial properties of oil-in-water emulsions prepared with 4% (w/v) of soy protein isolate and soybean oil (10 and 20%, v/v) were studied and compared to emulsions treated by conventional homogenization (15MPa). Emulsions were characterized by particle size, emulsifying activity index, surface protein concentration at the interface and by transmission electron microscopy. Primary and secondary lipid oxidation products were evaluated in emulsions upon storage. Emulsions with 20% oil treated at 100 and 200MPa exhibited the most oxidative stability due to higher amount of oil and protein surface load at the interface. This manuscript addresses the improvement in oxidative stability in emulsions treated by UHPH when compared to conventional emulsions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Enantioseparation of dansyl amino acids by ultra-high pressure liquid chromatography using cationic β-cyclodextrins as chiral additives.

    Science.gov (United States)

    Xiao, Yin; Tan, Timothy Thatt Yang; Ng, Siu-Choon

    2011-04-07

    This work reports the application of ultra-high pressure liquid chromatography (UHPLC) for reasonably fast enantiorecognition of some dansyl amino acids by employing three cationic β-cyclodextrins (β-CDs) as chiral additives. Good resolutions were obtained on an Agilent C18 column (2.1 mm i.d.; 1.8 μm; 50 mm length) with 1% (v/v) triethylammonium acetate buffered at pH 4.7 and acetonitrile as the mobile phase. Most of the analytes could be baseline resolved within 10 min. Increased cationic CD concentration or acetonitrile proportion in the mobile phase results in a decreased retention factor but accentuated selectivity. Furthermore, molecular mechanics calculation was performed and found to be consistent with the experimental results. © The Royal Society of Chemistry 2011

  17. Determination of six microcystins and nodularin in surface and drinking waters by on-line solid phase extraction-ultra high pressure liquid chromatography tandem mass spectrometry.

    Science.gov (United States)

    Beltrán, Eduardo; Ibáñez, María; Sancho, Juan Vicente; Hernández, Félix

    2012-11-30

    Microcystins and nodularin are cyclic peptides hepatotoxins produced by cyanobacterial genera (blue-green algae). Toxic cyanobacterial blooms are a worldwide problem, as reported in several countries, like China, Australia, or the United States. Therefore, it is necessary to develop sensitive and reliable analytical methodology to determine this type of toxins in water at parts per billion levels, or even lower. In this work, the potential of solid-phase extraction coupled on-line to ultra-high-pressure liquid chromatography/electrospray tandem mass spectrometry (SPE-UHPLC-MS/MS) has been investigated for the efficient quantification and confirmation of microcystins LR, RR, YR, LY, LW, LF and nodularin in surface and drinking water samples, at sub-ppb levels. The method developed involves the injection of only 1 mL of water sample into the on-line SPE-UHPLC-MS/MS system and allows the rapid determination of the compounds selected (8 min of chromatographic run), avoiding laborious sample treatment. The method was validated in surface and drinking water by means of recovery experiments at 0.25 and 1 μg L(-1). Average recoveries (n=5) ranged from 71 to 116%, with relative standard deviations (RSDs) lower than 15%. For microcystins LR, RR, YR and nodularin, a third level was also assayed (0.1 μg L(-1)) obtaining satisfactory data too. Limits of detection between 0.002 and 0.0405 μg L(-1) were estimated (0.0005 μg L(-1) for nodularin). The developed method was applied to the analysis of water samples collected in the province of Castellón (Spain). The acquisition of three MS/MS transitions for each compound allowed the unequivocal confirmation of positive samples, which was supported by the accomplishment of ion intensity ratios and retention time when compared with reference standards. Copyright © 2012 Elsevier B.V. All rights reserved.

  18. Characterization and usage of the EASY-spray technology as part of an online 2D SCX-RP ultra-high pressure system

    NARCIS (Netherlands)

    Marino, Fabio; Cristobal, Alba; Binai, Nadine A; Bache, Nicolai; Heck, Albert J R; Mohammed, Shabaz

    2014-01-01

    Ultra-high pressure liquid chromatography (UHPLC) systems combined with state-of-the-art mass spectrometers have pushed the limit of deep proteome sequencing to new heights making it possible to identify thousands of proteins in a single LC-MS experiment within a few hours. The recently released

  19. The use of ultra-high pressure liquid chromatography with tandem mass spectrometric detection of analysis of agrochemical residues and mycotoxines in food - challenges and applications

    Science.gov (United States)

    In the field of food contaminant analysis, the most significant development of recent years has been the integration of ultra-high pressure liquid chromatography (UHPLC), coupled to tandem quadrupole mass spectrometry (MS/MS), into analytical applications. In this review, we describe the emergence o...

  20. Evaluating the Ultra-High Pressure Homogenization (UHPH and Pasteurization effects on the quality and shelf life of donkey milk

    Directory of Open Access Journals (Sweden)

    Cephas Nii Akwei Addo

    2015-04-01

    Full Text Available Donkey milk has functional properties of great interest to human nutrition. The effects of ultra-high pressure homogenization (UHPH at 100 MPa, 200 MPa and 300 MPa in comparison with different pasteurization treatments of 70 °C for 1 min and 85 °C for 1 min on the physicochemical quality and shelf-life of treated and raw (untreated donkey milk were studied. Gross composition and pH, total mesophilic counts, lysozyme activity and physical stability were studied during storage at 4 °C for 28 days. The compositional profile showed resemblance to that of human milk characterized by high lactose, low fat and low protein content and was least affected by the treatments. UHPH treatments at 200 MPa, 300 MPa and 85 °C were able to maintain steady pH during storage whereas the low intensity treatments showed a significant decrease. The observed lysozyme activity in the samples was generally high and appeared to have been enhanced by the applied UHPH and pasteurization treatments with no significant change during storage. Although the raw milk showed good initial microbial quality, extensive growth of mesophilic microorganisms occurred after 7 days of storage, unlike the treated samples which were able to maintain significantly low counts throughout the storage period. The physical stability of milk was negatively influenced by the higher UHPH treatments of 200 MPa and 300 MPa which exhibited sedimentation phenomenon, while creaming was insignificant.

  1. Ultra high pressure homogenization (UHPH) inactivation of Bacillus amyloliquefaciens spores in phosphate buffered saline (PBS) and milk

    Science.gov (United States)

    Dong, Peng; Georget, Erika S.; Aganovic, Kemal; Heinz, Volker; Mathys, Alexander

    2015-01-01

    Ultra high pressure homogenization (UHPH) opens up new areas for dynamic high pressure assisted thermal sterilization of liquids. Bacillus amyloliquefaciens spores are resistant to high isostatic pressure and temperature and were suggested as potential surrogate for high pressure thermal sterilization validation. B. amyloliquefaciens spores suspended in PBS buffer (0.01 M, pH 7.0), low fat milk (1.5%, pH 6.7), and whole milk (3.5%, pH 6.7) at initial concentration of ~106 CFU/mL were subjected to UHPH treatments at 200, 300, and 350 MPa with an inlet temperature at ~80°C. Thermal inactivation kinetics of B. amyloliquefaciens spores in PBS and milk were assessed with thin wall glass capillaries and modeled using first-order and Weibull models. The residence time during UHPH treatments was estimated to determine the contribution of temperature to spore inactivation by UHPH. No sublethal injury was detected after UHPH treatments using sodium chloride as selective component in the nutrient agar medium. The inactivation profiles of spores in PBS buffer and milk were compared and fat provided no clear protective effect for spores against treatments. Treatment at 200 MPa with valve temperatures lower than 125°C caused no reduction of spores. A reduction of 3.5 log10CFU/mL of B. amyloliquefaciens spores was achieved by treatment at 350 MPa with a valve temperature higher than 150°C. The modeled thermal inactivation and observed inactivation during UHPH treatments suggest that temperature could be the main lethal effect driving inactivation. PMID:26236296

  2. Characterization of Whey Protein Oil-In-Water Emulsions with Different Oil Concentrations Stabilized by Ultra-High Pressure Homogenization

    Directory of Open Access Journals (Sweden)

    Essam Hebishy

    2017-02-01

    Full Text Available In this study, the effect of ultra-high-pressure homogenization (UHPH: 100 or 200 MPa at 25 °C, in comparison to colloid mill (CM: 5000 rpm at 20 °C and conventional homogenization (CH: 15 MPa at 60 °C, on the stability of oil-in-water emulsions with different oil concentrations (10, 30 or 50 g/100 g emulsified by whey protein isolate (4 g/100 g was investigated. Emulsions were characterized for their microstructure, rheological properties, surface protein concentration (SPC, stability to creaming and oxidative stability under light (2000 lux/m2. UHPH produced emulsions containing lipid droplets in the sub-micron range (100–200 nm and with low protein concentrations on droplet surfaces. Droplet size (d3.2, µm was increased in CH and UHPH emulsions by increasing the oil concentration. CM emulsions exhibited Newtonian flow behaviour at all oil concentrations studied; however, the rheological behaviour of CH and UHPH emulsions varied from Newtonian flow (n ≈ 1 to shear-thinning (n ˂ 1 and thixotropic behaviour in emulsions containing 50% oil. This was confirmed by the non-significant differences in the d4.3 (µm value between the top and bottom of emulsions in tubes left at room temperature for nine days and also by a low migration velocity measured with a Turbiscan LAB instrument. UHPH emulsions showed significantly lower oxidation rates during 10 days storage in comparison to CM and CH emulsions as confirmed by hydroperoxides and thiobarbituric acid-reactive substances (TBARS. UHPH emulsions treated at 100 MPa were less oxidized than those treated at 200 MPa. The results from this study suggest that UHPH treatment generates emulsions that have a higher stability to creaming and lipid oxidation compared to colloid mill and conventional treatments.

  3. Powder metallurgy Al–6Cr–2Fe–1Ti alloy prepared by melt atomisation and hot ultra-high pressure compaction

    International Nuclear Information System (INIS)

    Dám, Karel; Vojtěch, Dalibor; Průša, Filip

    2013-01-01

    Al--6Cr--2Fe--1Ti alloy was prepared by melt atomisation into rapidly solidified powder. The powder was compacted using uniaxial hot compression at an ultra-high pressure (6 GPa). The samples were pressed at 300, 400 and 500 °C. The structure, mechanical properties and thermal stability were examined and compared with those of the commercially available Al--12Si--1Cu--1Mg--1Ni casting alloy, which is considered thermally stable. It was shown that the hot compression at ultra-high pressure results in a compact and pore-free material with excellent mechanical properties. The elevated pressing temperatures were found to be effective at increasing the mechanical stability after applying the ultra-high pressure. The results of thermal stability testing revealed that the mechanical properties do not change significantly at high temperature, even after 100 h of annealing at 400 °C. In addition, the Al--6Cr--2Fe--1Ti alloy exhibited very good creep resistance. A comparison between the commercial Al--12Si--1Cu--1Mg--1Ni alloy and the powder metallurgy alloy shows that this alloy has significantly better mechanical properties and thermal stability.

  4. Powder metallurgy Al-6Cr-2Fe-1Ti alloy prepared by melt atomisation and hot ultra-high pressure compaction

    Energy Technology Data Exchange (ETDEWEB)

    Dam, Karel, E-mail: Karel.Dam@vscht.cz [Department of Metals and Corrosion Engineering, Institute of Chemical Technology, Prague, Technicka 5, 166 28 Prague 6 (Czech Republic); Vojtech, Dalibor; Prusa, Filip [Department of Metals and Corrosion Engineering, Institute of Chemical Technology, Prague, Technicka 5, 166 28 Prague 6 (Czech Republic)

    2013-01-10

    Al--6Cr--2Fe--1Ti alloy was prepared by melt atomisation into rapidly solidified powder. The powder was compacted using uniaxial hot compression at an ultra-high pressure (6 GPa). The samples were pressed at 300, 400 and 500 Degree-Sign C. The structure, mechanical properties and thermal stability were examined and compared with those of the commercially available Al--12Si--1Cu--1Mg--1Ni casting alloy, which is considered thermally stable. It was shown that the hot compression at ultra-high pressure results in a compact and pore-free material with excellent mechanical properties. The elevated pressing temperatures were found to be effective at increasing the mechanical stability after applying the ultra-high pressure. The results of thermal stability testing revealed that the mechanical properties do not change significantly at high temperature, even after 100 h of annealing at 400 Degree-Sign C. In addition, the Al--6Cr--2Fe--1Ti alloy exhibited very good creep resistance. A comparison between the commercial Al--12Si--1Cu--1Mg--1Ni alloy and the powder metallurgy alloy shows that this alloy has significantly better mechanical properties and thermal stability.

  5. Generation of ultra-high-pressure shocks by collision of a fast plasma projectile driven in the laser-induced cavity pressure acceleration scheme with a solid target

    Czech Academy of Sciences Publication Activity Database

    Badziak, J.; Rosinski, M.; Krouský, Eduard; Kucharik, M.; Liska, R.; Ullschmied, Jiří

    2015-01-01

    Roč. 22, č. 3 (2015), s. 1-11, č. článku 032709. ISSN 1070-664X R&D Projects: GA MŠk(CZ) LD14089; GA MŠk LM2010014 EU Projects: European Commission(XE) 284464 - LASERLAB-EUROPE Institutional support: RVO:68378271 ; RVO:61389021 Keywords : laser-produced plasma * ultra-high-pressure shocks * laser-induced cavity pressure acceleration Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 2.207, year: 2015

  6. Effect of fat content and homogenization under conventional or ultra-high-pressure conditions on interactions between proteins in rennet curds.

    Science.gov (United States)

    Zamora, A; Trujillo, A J; Armaforte, E; Waldron, D S; Kelly, A L

    2012-09-01

    The objective of this study was to investigate the influence of conventional and ultra-high-pressure homogenization on interactions between proteins within drained rennet curds. The effect of fat content of milk (0.0, 1.8, or 3.6%) and homogenization treatment on dissociation of proteins by different chemical agents was thus studied. Increasing the fat content of raw milk increased levels of unbound whey proteins and calcium-bonded caseins in curds; in contrast, hydrophobic interactions and hydrogen bonds were inhibited. Both homogenization treatments triggered the incorporation of unbound whey proteins in the curd, and of caseins through ionic bonds involving calcium salts. Conventional homogenization-pasteurization enhanced interactions between caseins through hydrogen bonds and hydrophobic interactions. In contrast, ultra-high-pressure homogenization impaired hydrogen bonding, led to the incorporation of both whey proteins and caseins through hydrophobic interactions and increased the amount of unbound caseins. Thus, both homogenization treatments provoked changes in the protein interactions within rennet curds; however, the nature of the changes depended on the homogenization conditions. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  7. Rapid Characterization and Identification of Flavonoids in Radix Astragali by Ultra-High-Pressure Liquid Chromatography Coupled with Linear Ion Trap-Orbitrap Mass Spectrometry.

    Science.gov (United States)

    Zhang, Jing; Xu, Xiao-Jie; Xu, Wen; Huang, Juan; Zhu, Da-yuan; Qiu, Xiao-Hui

    2015-07-01

    A simple and effective method was established for separation and characterization of flavonoid constituents in Radix Astragali (RA) by combination of ultra-high-pressure liquid chromatography with LTQ-Orbitrap tandem mass spectrometry (u-HPLC-LTQ-Orbitrap-MS(n)). For three major structural types of flavonoids, the proposed fragmentation pathways and major diagnostic fragment ions of isoflavones, pterocarpans and isoflavans were investigated to trace isoflavonoid derivatives in crude plant extracts. Based on the systematic identification strategy, 48 constituents were rapidly detected and characterized or tentatively identified, many of which were first reported in RA. The u-PHLC-LTQ-Orbitrap MS(n) platform was proved as an effective tool for rapid qualitative analysis of secondary metabolite productions from natural resources. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  8. On the Interior of Carbon-Rich Exoplanets: New Insight from Si-C System at Ultra High Pressure

    Science.gov (United States)

    Miozzi Ferrini, F.; Morard, G.; Antonangeli, D.; Clark, A. N.; Edmund, E.; Fiquet, G.; Mezouar, M.

    2017-12-01

    The variability in the mass/radius ratio of the more than 3200 exoplanets discovered so far, is a direct consequence of the large diversity of their internal composition. Exoplanets with a mass between 1 and 10 times the mass of the Earth are typically referred to as super-Earths, and their mineralogical composition depends on that of the protoplanetary disk. The key variable in determining the chemical makeup of such planets is the C/O ratio. Values of C/O ratio smaller than 0.8 correspond to an interior dominated by silicates (e.g. terrestrial planets), whereas for C/O ratios > 0.8 the interior is enriched in carbon. In these C-rich planets, Si may form carbides instead of silicates (Duffy et al., 2015). The detection of planet 55 Cancri e, with a particularly high C/O ratio, has increased the interest in carbon-rich planets. 55 Cancri e has been modelled as a layered structure made by different assemblages of carbon, silicon and iron (Madhusudan et al., 2012). However, the accuracy of such type of models suffers the lack of experimental data on the Si - C system at extreme conditions of pressure and temperature. Experimental equations of state are limited to 80 GPa (Nisr et al., 2017) and little is known about subsolidus relation, with only one theoretical study from Wilson and Militzer (2004) at multi-megabar pressures. Here we present experiments on SiC samples by synchrotron X-ray diffraction, in laser heated diamond anvil cell between 30-200 GPa and 300-3500 K. The results show evidences of coexistence of SiC with Si or C, without the appearance of intermediate compounds. Moreover, between 60 and 75 GPa, SiC undergoes a phase transition from the zinc blend structure (B3), to the rock salt structure (B1). This phase transition, also reported in previous literature work (e.g. Daviau and Lee, 2017), corresponds to a change in the atoms coordination, and is accompanied by an important volume reduction. Acknowledgements: This work was supported by the ERC Planet

  9. The Heart of China revisited: II Early Paleozoic (ultra)high-pressure and (ultra)high-temperature metamorphic Qinling orogenic collage

    Science.gov (United States)

    Bader, Thomas; Franz, Leander; Ratschbacher, Lothar; de Capitani, Christian; Webb, A. Alexander G.; Yang, Zhao; Pfänder, Jörg A.; Hofmann, Mandy; Linnemann, Ulf

    2013-07-01

    Orogens with multiple (ultra)high-pressure ((U)HP) and (ultra)high-temperature ((U)HT) metamorphic events provide a complex but telling record of oceanic and continental interaction. The Early Paleozoic history of the "Heart of China," the Qinling orogenic collage, offers snapshots of at least three (U)HP and two (U)HT metamorphic events. The preservation of remnants of both oceanic and continental domains together with a ≥110 Myr record of magmatism allows the reconstruction of the processes that resulted in this disparate metamorphism. Herein, we first illuminate the pressure-temperature-time (P-T-t) evolution of the Early Paleozoic (U)HP and (U)HT events by refining the petrographic descriptions and P-T estimates, assess published, and employ new U/Th-Pb zircon, monazite, and titanite, and 40Ar-39Ar phengite geochronology to date the magmatic and metamorphic events. Then we explore how the metamorphic and magmatic events are related tectonically and how they elucidate the affinities among the various complexes in the Qinling orogenic collage. We argue that a Meso-Neoproterozoic crustal fragment—the Qinling complex—localized subduction-accretion events that involved subduction, oceanic-arc formation, and back-arc spreading along its northern margin, and mtantle-wedge exhumation and spreading-ridge subduction along its southern margin.

  10. Microbiological stabilization of tiger nuts' milk beverage using ultra-high pressure homogenization. A preliminary study on microbial shelf-life extension.

    Science.gov (United States)

    Codina-Torrella, I; Guamis, B; Zamora, A; Quevedo, J M; Trujillo, A J

    2018-02-01

    Tiger nuts' milk beverages are highly perishable products. For this reason, the interest of food industry for their commercialization makes necessary the application of preservation treatments to prolong their shelf-life. In the current study, the effect of ultra-high pressure homogenization (UHPH) on the microbiological and sensory qualities of tiger nuts' milk beverage was evaluated. Characteristics of UHPH-treated products (at 200 and 300 MPa, with inlet temperature of 40 °C) were compared with those of raw (RP) and conventionally homogenized-pasteurized (H-P) beverages, after treatment and during cold storage at 4 °C. Microbiological quality of beverages was studied by enumerating total counts, psychrotrophic bacteria, lactobacilli, enterobacteria, molds and yeasts, and mesophilic spores. Evolution of color and sensory characteristics of beverages were also determined. Microbiological shelf-life of the tiger nuts' milk beverages was extended from 3 to 25, 30 and 57 days by applying H-P and UHPH treatments at 200 and 300 MPa, respectively. Color of beverages was the only attribute that differentiated UHPH samples from the others, with greater luminosity and whiteness. Hence, UHPH treatments showed to be an alternative to the conventional H-P for obtaining tiger nuts' milk beverages with an improved microbiological shelf-life and good sensorial characteristics. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Ultra high pressure homogenization (UHPH inactivation of Bacillus amyloliquefaciens spores in phosphate buffered saline (PBS and milk

    Directory of Open Access Journals (Sweden)

    Peng eDong

    2015-07-01

    Full Text Available Ultra high pressure homogenization (UHPH opens up new areas for dynamic high pressure assisted thermal sterilization of liquids. Bacillus amyloliquefaciens spores are resistant to high isostatic pressure and temperature and were suggested as potential surrogate for high pressure thermal sterilization validation. B. amyloliquefaciens spores suspended in PBS buffer (0.01 M, pH 7.0, low fat milk (1.5%, pH 6.7 and whole milk (3.5%, pH 6.7 at initial concentration of ~106 CFU/mL were subjected to UHPH treatments at 200, 300 and 350 MPa with an inlet temperature at ~80 °C. Thermal inactivation kinetics of B. amyloliquefaciens spores in PBS and milk were assessed with thin wall glass capillaries and modeled using mechanistic linear first order and Weibull models. The residence time during UHPH treatments was estimated to determine the contribution of temperature to spore inactivation by UHPH. No sublethal injury was detected after UHPH treatments using sodium chloride as selective component in the nutrient agar medium. The inactivation profiles of spores in PBS buffer and milk were compared and fat provided no clear protective effect for spores against treatments. Treatment at 200 MPa with valve temperatures lower than 125 °C caused no reduction of spores. A reduction of 3.5 log10 CFU/mL of B. amyloliquefaciens spores was achieved by treatment at 350 MPa with a valve temperature higher than 150 °C. The modeled thermal inactivation and observed inactivation during UHPH treatments suggest that temperature could be the main lethal effect driving inactivation.

  12. Wipe selection for the analysis of surface materials containing chemical warfare agent nitrogen mustard degradation products by ultra-high pressure liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Willison, Stuart A

    2012-12-28

    Degradation products arising from nitrogen mustard chemical warfare agent were deposited on common urban surfaces and determined via surface wiping, wipe extraction, and liquid chromatography–tandem mass spectrometry detection. Wipes investigated included cotton gauze, glass fiber filter, non-woven polyester fiber and filter paper, and surfaces included several porous (vinyl tile, painted drywall, wood) and mostly non-porous (laminate, galvanized steel, glass) surfaces. Wipe extracts were analyzed by ultra-high pressure liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) and compared with high performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) results. An evaluation of both techniques suggests UPLC–MS/MS provides a quick and sensitive analysis of targeted degradation products in addition to being nearly four times faster than a single HPLC run, allowing for greater throughput during a wide-spread release concerning large-scale contamination and subsequent remediation events. Based on the overall performance of all tested wipes, filter paper wipes were selected over other wipes because they did not contain interferences or native species (TEA and DEA) associated with the target analytes, resulting in high percent recoveries and low background levels during sample analysis. Other wipes, including cotton gauze, would require a pre-cleaning step due to the presence of large quantities of native species or interferences of the targeted analytes. Percent recoveries obtained from a laminate surface were 47–99% for all nitrogen mustard degradation products. The resulting detection limits achieved from wipes were 0.2 ng/cm(2) for triethanolamine (TEA), 0.03 ng/cm(2) for N-ethyldiethanolamine (EDEA), 0.1 ng/cm(2) for N-methyldiethanolamine (MDEA), and 0.1 ng/cm(2) for diethanolamine (DEA).

  13. Ultra-high-pressure liquid chromatography tandem mass spectrometry determination of antidepressant and anxiolytic drugs in neonatal meconium and maternal hair.

    Science.gov (United States)

    Pichini, Simona; Cortes, Laura; Marchei, Emilia; Solimini, Renata; Pacifici, Roberta; Gomez-Roig, Mª Dolores; García-Algar, Oscar

    2016-01-25

    A procedure based on ultra-high-pressure liquid chromatography tandem mass spectrometry has been developed for the determination of 22 antidepressant and anxiolytic drugs ad metabolites in the three consecutive maternal hair segments representing the pregnancy trimesters and paired neonatal meconium samples. After hair washing with methyl alcohol and diethyl ether and subsequent addition of internal standards, hair samples were treated with 500 μl VMA-T M3 reagent for 1h at 100 °C. After cooling, 100 μl M3 extract were diluted with 400 μl water and a volume of 10 μl was injected into chromatographic system. Meconium samples were firstly treated with 1 ml methyl alcohol and the organic layer back-extracted twice with 1.5 ml of a mixture of ethylacetate:hexane (80:20, v/v). Chromatographic separation was achieved at ambient temperature using a reverse-phase column and a linear gradient elution with two solvents: 0.3% formic acid in acetonitrile and 5mM ammonium formate pH 3. The mass spectrometer was operated in positive ion mode, using multiple reaction monitoring via positive electrospray ionization. The method was linear from the limit of quantification (0.05-1 ng/mg hair and 5-25 ng/g meconium depending on analyte under investigation;) to 10 ng/mg hair and 1000 ng/g meconium, with an intra- and inter-assay imprecision and inaccuracy always less than 20% and an analytical recovery between 66.6% and 95.3%, depending on the considered analyte and biological matrix. Using the validated method, 7 mothers were found positive to one or more hair segments and 5 meconium samples were found positive to one or more antidepressant and anxiolytic drugs, assessing prenatal exposure to these drugs following maternal consumption in one or more pregnancy trimesters. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Experimental Investigation of Magnetic Superconducting, and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures Using Designer Diamond Anvils

    International Nuclear Information System (INIS)

    Maple, M. Brian

    2005-01-01

    Pressure is a powerful control parameter, owing to its ability to affect crystal and electronic structure without introducing defects, for the investigation of condensed matter systems. Some f-electron, heavy-fermion materials display interesting and novel behavior when exposed to pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require extreme conditions such as ultrahigh pressures, high magnetic fields, and ultralow temperatures to sufficiently explore the important properties. To that end, we have been funded to develop an ultrahigh pressure facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena under extreme conditions. Our goals for the second year of this grant were as follows: (a) perform electrical resistivity measurements on novel samples at a myriad of pressures using conventional piston-cylinder techniques, Bridgman anvil techniques, and diamond anvil cell technology; (b) install, commission, and operate an Oxford Kelvinox MX-100 dilution refrigerator for access to ultralow temperatures and high magnetic fields. (c) continue the development of diamond anvil cell (DAC) technology. During the past year, we have successfully installed the Oxford Kelvinox MX-100 dilution refrigerator and verified its operability down to 12 mK. We have begun an experimental program to systematically investigate the f-electron compound URu2Si2 under pressure and in the presence of magnetic fields. We have also continued our collaborative work with Sam Weir at Lawrence Livermore National Laboratory (LLNL) on Au4V and implemented a new corollary study on Au1-xVx using ultrahigh pressures. We have continued developing our DAC facility by designing and constructing an apparatus for in situ pressure measurement as well as designing high pressure cells. This report serves to highlight the progress we have made

  15. Simultaneous Determination of Procainamide and N-acetylprocainamide in Rat Plasma by Ultra-High-Pressure Liquid Chromatography Coupled with a Diode Array Detector and Its Application to a Pharmacokinetic Study in Rats.

    Science.gov (United States)

    Balla, Anusha; Cho, Kwan Hyung; Kim, Yu Chul; Maeng, Han-Joo

    2018-03-30

    A simple, sensitive, and reliable reversed-phase, Ultra-High-Pressure Liquid Chromatography (UHPLC) coupled with a Diode Array Detector (DAD) method for the simultaneous determination of Procainamide (PA) and its major metabolite, N -acetylprocainamide (NAPA), in rat plasma was developed and validated. A simple deproteinization method with methanol was applied to the rat plasma samples, which were analyzed using UHPLC equipped with DAD at 280 nm, and a Synergi™ 4 µm polar, reversed-phase column using 1% acetic acid (pH 5.5) and methanol (76:24, v / v ) as eluent in isocratic mode at a flow rate 0.2 mL/min. The method showed good linearity ( r ² > 0.998) over the concentration range of 20-100,000 and 20-10,000 ng/mL for PA and NAPA, respectively. Intra- and inter-day accuracies ranged from 97.7 to 110.9%, and precision was HPLC methods is that it requires small sample and injection volumes, with a straightforward, one-step sample preparation. It overcomes the limitations of previous methods, which use large sample volume and complex sample preparation. The devised method was successfully applied to the quantification of PA and NAPA after an intravenous bolus administration of 10 mg/kg procainamide hydrochloride to rats.

  16. Fast, rugged and sensitive ultra high pressure liquid chromatography tandem mass spectrometry method for analysis of cyanotoxins in raw water and drinking water--First findings of anatoxins, cylindrospermopsins and microcystin variants in Swedish source waters and infiltration ponds.

    Science.gov (United States)

    Pekar, Heidi; Westerberg, Erik; Bruno, Oscar; Lääne, Ants; Persson, Kenneth M; Sundström, L Fredrik; Thim, Anna-Maria

    2016-01-15

    Freshwater blooms of cyanobacteria (blue-green algae) in source waters are generally composed of several different strains with the capability to produce a variety of toxins. The major exposure routes for humans are direct contact with recreational waters and ingestion of drinking water not efficiently treated. The ultra high pressure liquid chromatography tandem mass spectrometry based analytical method presented here allows simultaneous analysis of 22 cyanotoxins from different toxin groups, including anatoxins, cylindrospermopsins, nodularin and microcystins in raw water and drinking water. The use of reference standards enables correct identification of toxins as well as precision of the quantification and due to matrix effects, recovery correction is required. The multi-toxin group method presented here, does not compromise sensitivity, despite the large number of analytes. The limit of quantification was set to 0.1 μg/L for 75% of the cyanotoxins in drinking water and 0.5 μg/L for all cyanotoxins in raw water, which is compliant with the WHO guidance value for microcystin-LR. The matrix effects experienced during analysis were reasonable for most analytes, considering the large volume injected into the mass spectrometer. The time of analysis, including lysing of cell bound toxins, is less than three hours. Furthermore, the method was tested in Swedish source waters and infiltration ponds resulting in evidence of presence of anatoxin, homo-anatoxin, cylindrospermopsin and several variants of microcystins for the first time in Sweden, proving its usefulness. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

  17. High Pressure Scanning Tunneling Microscopy Studies of Adsorbate Structure and Mobility during Catalytic Reactions. Novel Design of an Ultra High Pressure, High Temperature Scanning Tunneling Microscope System for Probing Catalytic Conversions

    International Nuclear Information System (INIS)

    Tang, David Chi-Wai

    2005-01-01

    The aim of the work presented therein is to take advantage of scanning tunneling microscope's (STM) capability for operation under a variety of environments under real time and at atomic resolution to monitor adsorbate structures and mobility under high pressures, as well as to design a new generation of STM systems that allow imaging in situ at both higher pressures (35 atm) and temperatures (350 C). The design of a high pressure, high temperature scanning tunneling microscope system, that is capable of monitoring reactions in situ at conditions from UHV and ambient temperature up to 1 atm and 250 C, is briefly presented along with vibrational and thermal analysis, as this system serves as a template to improve upon during the design of the new ultra high pressure, high temperature STM. Using this existing high pressure scanning tunneling microscope we monitored the co-adsorption of hydrogen, ethylene and carbon dioxide on platinum (111) and rhodium (111) crystal faces in the mTorr pressure range at 300 K in equilibrium with the gas phase. During the catalytic hydrogenation of ethylene to ethane in the absence of CO the metal surfaces are covered by an adsorbate layer that is very mobile on the time scale of STM imaging. We found that the addition of CO poisons the hydrogenation reaction and induces ordered structures on the single crystal surfaces. Several ordered structures were observed upon CO addition to the surfaces pre-covered with hydrogen and ethylene: a rotated (√19 x √19)R23.4 o on Pt(111), and domains of c(4 x 2)-CO+C 2 H 3 , previously unobserved (4 x 2)-CO+3C 2 H 3 , and (2 x 2)-3CO on Rh(111). A mechanism for CO poisoning of ethylene hydrogenation on the metal single crystals was proposed, in which CO blocks surface metal sites and reduces adsorbate mobility to limit adsorption and reaction rate of ethylene and hydrogen. In order to observe heterogeneous catalytic reactions that occur well above ambient pressure and temperature that more closely

  18. APPROACH ON INTELLIGENT OPTIMIZATION DESIGN BASED ON COMPOUND KNOWLEDGE

    Institute of Scientific and Technical Information of China (English)

    Yao Jianchu; Zhou Ji; Yu Jun

    2003-01-01

    A concept of an intelligent optimal design approach is proposed, which is organized by a kind of compound knowledge model. The compound knowledge consists of modularized quantitative knowledge, inclusive experience knowledge and case-based sample knowledge. By using this compound knowledge model, the abundant quantity information of mathematical programming and the symbolic knowledge of artificial intelligence can be united together in this model. The intelligent optimal design model based on such a compound knowledge and the automatically generated decomposition principles based on it are also presented. Practically, it is applied to the production planning, process schedule and optimization of production process of a refining & chemical work and a great profit is achieved. Specially, the methods and principles are adaptable not only to continuous process industry, but also to discrete manufacturing one.

  19. Timing of metamorphism and exhumation in the Nordøyane ultra-high-pressure domain, Western Gneiss Region, Norway: New constraints from complementary CA-ID-TIMS and LA-MC-ICP-MS geochronology

    Science.gov (United States)

    Butler, J. P.; Jamieson, R. A.; Dunning, G. R.; Pecha, M. E.; Robinson, P.; Steenkamp, H. M.

    2018-06-01

    We present the results of a combined CA-ID-TIMS and LA-MC-ICP-MS U-Pb geochronology study of zircon and associated rutile and titanite from the Nordøyane ultra-high-pressure (UHP) domain in the Western Gneiss Region (WGR) of Norway. The dated samples include 4 eclogite bodies, 2 host-rock migmatites, and 2 cross-cutting pegmatites and leucosomes, all from the island of Harøya. Zircon from a coesite eclogite yielded an age of ca. 413 Ma, interpreted as the time of UHP metamorphism in this sample. Zircon data from the other eclogite bodies yielded metamorphic ages of ca. 413 Ma, 407 Ma, and 406 Ma; zircon trace-element data associated with 413 Ma and 407 Ma ages are consistent with eclogite-facies crystallization. In all of the eclogites, U-Pb dates from zircon cores, interpreted as the times of protolith crystallization, range from ca. 1680-1586 Ma, consistent with Gothian ages from orthogneisses in Nordøyane and elsewhere in the WGR. A zircon core age of ca. 943 Ma from one sample agrees with Sveconorwegian ages of felsic gneisses and pegmatites in the western part of the area. Migmatites hosting the eclogite bodies yielded zircon core ages of ca. 1657-1591 Ma and rim ages of ca. 395-392 Ma, interpreted as the times of Gothian protolith formation and Scandian partial melt crystallization, respectively. Pegmatite in an eclogite boudin neck yielded a crystallization age of ca. 388 Ma, interpreted as the time of melt crystallization. Rutile and titanite from 3 samples (an eclogite and two migmatites) yielded concordant ID-TIMS ages of 378-376 Ma. The results are similar to existing U-Pb data from other Nordøyane eclogites (415-405 Ma). In combination with previous pressure-temperature data from the coesite eclogite, these ages indicate that peak metamorphic conditions of 3 GPa/760 °C were reached ca. 413 Ma, followed by decompression to 1 GPa/810 °C by ca. 397 Ma and cooling below ca. 600 °C by ca. 375 Ma. The results are compatible with protracted UHP

  20. Optimizing the extraction of antibacterial compounds from pineapple leaf fiber

    Directory of Open Access Journals (Sweden)

    Zhuang Zhikai

    2016-01-01

    Full Text Available Five different solvents (petroleum ether, chloroform, ethyl acetate, acetone, and distilled water were used to extract antibacterial compounds from pineapple leaf fiber. Compounds extracted using acetone showed the greatest antibacterial effect against Escherichia coli, measured by inhibition zone diameter. Three extraction parameters including temperature, time and solid-liquid ratio were optimized through orthogonal experiment based on single factor investigations for achieving maximum active substance extraction rate and bacteriostatic effect. Results showed that using acetone, the optimum extraction conditions for temperature, time and solid-liquid ratio were 45°C, 8 h, and 1:40 (g/ml, respectively.

  1. Optimization of Processing Technology of Compound Dandelion Wine

    Directory of Open Access Journals (Sweden)

    Wu Jixuan

    2016-01-01

    Full Text Available Exploring dandelion food has been the concern in fields of the food processing and pharmaceutical industry for playing exact curative effect on high-fat-diet induced hepatic steatosis and diuretic activity. Few dandelion foods including drinks and microencapsulation were explored and unilateral dandelion wine were less carried out for its bitter flavour. In tis paper, to optimize the processing technologies of fermented compound wine from dandelion root, the orthogonal experiment design method was used to composite dandelion root powder with glutinous rice and schisandra fruit and optimize the fermenting parameters. Four factors with dandelion content, schisandra content, acidity and sugar content were discussed. The acidity factor was firstly confirmed as 7.0 g/L. The other three factors were confirmed by a series experiments as dandelion 0.55%, schisandra 0.5%, sugar 22%. With nine step processing of mixing substrate, stirring with water, cooking rice, amylase saccharification, pectinase hydrolysis, adjusting juice, fermenting with yeast, fitering, aging, sterilization, a light yellow wine with the special taste with flavour of dandelion, schisandra and rice and less bitter, few index were determined as 14.7% alcohol, 6.85 g/L acidity. A dandelion fermented compound wine with suitable flavour and sanitarian function was developed for enriching the dandelion food.

  2. Ultra(high)-pressure liquid chromatography-electrospray ionization-time-of-flight-ion mobility-high definition mass spectrometry for the rapid identification and structural characterization of flavonoid glycosides from cauliflower waste.

    Science.gov (United States)

    Gonzales, Gerard Bryan; Raes, Katleen; Coelus, Sofie; Struijs, Karin; Smagghe, Guy; Van Camp, John

    2014-01-03

    In this paper, a strategy for the detection and structural elucidation of flavonoid glycosides from a complex matrix in a single chromatographic run using U(H)PLC-ESI-IMS-HDMS/MS(E) is presented. This system operates using alternative low and high energy voltages that is able to perform the task of conventional MS/MS in a data-independent way without re-injection of the sample, which saves analytical time. Also, ion mobility separation (IMS) was employed as an additional separation technique for compounds that are co-eluting after U(H)PLC separation. First, the fragmentation of flavonoid standards were analyzed and criteria was set for structural elucidation of flavonoids in a plant extract. Based on retention times, UV spectra, exact mass, and MS fragment characteristics, such as abundances of daughter ions and the presence of radical ions ([Y0-H](-)), a total 19 flavonoid glycosides, of which 8 non-acylated and 11 acylated, were detected and structurally characterized in a cauliflower waste extract. Kaempferol and quercetin were the main aglycones detected while sinapic and ferulic acid were the main phenolic acids. C-glycosides were also found although their structure could not be elucidated. The proposed method can be used as a rapid screening test for flavonoid identification and for routine analysis of plant extracts, such as these derived from cauliflower waste. The study also confirms that agroindustrial wastes, such as cauliflower leaves, could be seen as a valuable source of different bioactive phenolic compounds. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. [Optimize preparation of compound licorice microemulsion with D-optimal design].

    Science.gov (United States)

    Ma, Shu-Wei; Wang, Yong-Jie; Chen, Cheng; Qiu, Yue; Wu, Qing

    2018-03-01

    In order to increase the solubility of essential oil in compound licorice microemulsion and improve the efficacy of the decoction for treating chronic eczema, this experiment intends to prepare the decoction into microemulsion. The essential oil was used as the oil phase of the microemulsion and the extract was used as the water phase. Then the microemulsion area and maximum ratio of water capacity was obtained by plotting pseudo-ternary phase diagram, to determine the appropriate types of surfactant and cosurfactant, and Km value-the mass ratio between surfactant and cosurfactant. With particle size and skin retention of active ingredients as the index, microemulsion prescription was optimized by D-optimal design method, to investigate the in vitro release behavior of the optimized prescription. The results showed that the microemulsion was optimal with tween-80 as the surfactant and anhydrous ethanol as the cosurfactant. When the Km value was 1, the area of the microemulsion region was largest while when the concentration of extract was 0.5 g·mL⁻¹, it had lowest effect on the particle size distribution of microemulsion. The final optimized formulation was as follows: 9.4% tween-80, 9.4% anhydrous ethanol, 1.0% peppermint oil and 80.2% 0.5 g·mL⁻¹ extract. The microemulsion prepared under these conditions had a small viscosity, good stability and high skin retention of drug; in vitro release experiment showed that microemulsion had a sustained-release effect on glycyrrhizic acid and liquiritin, basically achieving the expected purpose of the project. Copyright© by the Chinese Pharmaceutical Association.

  4. Ultra-preconcentration and determination of selected pharmaceutical and personal care products in different water matrices by solid-phase extraction combined with dispersive liquid-liquid microextraction prior to ultra high pressure liquid chromatography tandem mass spectrometry analysis.

    Science.gov (United States)

    Celano, Rita; Piccinelli, Anna Lisa; Campone, Luca; Rastrelli, Luca

    2014-08-15

    Pharmaceutical and personal care products (PPCPs) are one of the most important classes of emerging contaminants. The potential of ecological and environmental impacts associated with PPCPs are of particular concern because they continually penetrate the aquatic environment. This work describes a novel ultra-preconcentration technique for the rapid and highly sensitive analysis of selected PPCPs in environmental water matrices at ppt levels. Selected PPCPs were rapidly extracted and concentrated from large volumes of aqueous solutions (500 and 250mL) by solid-phase extraction combined with dispersive liquid-liquid microextraction (SPE-DLLME) and then analyzed using UHPLC-MS/MS. Experimental parameters were carefully investigated and optimized to achieve the best SPE-DLLME efficiency and higher enrichment factors. The best results were obtained using the ternary mixture acetonitrile/methanol/dichloromethane 3:3:4, v/v/v, both as SPE eluent and DLLME extractant/dispersive mixture. DLLME aqueous solution (5% NaCl, 10mgL(-1) TBAB) was also modified to improve the extraction efficiency of more hydrophilic PPCPs. Under the optimal conditions, an exhaustive extraction for most of the investigated analytes (recoveries >70%), with a precision (RSD drinking, sea, river and wastewater). Method detection and quantification limits were at very low ppt levels and below 1 and 3ngL(-1), respectively, for 15 of selected PPCPs. The proposed analytical procedure offers numerous advantages such as the simplicity of operation, rapidity, a high enrichment factor and sensitivity. So it is suitable for monitoring and studies of occurrence of PPCPs in different environmental compartments. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Extraction optimization of soluble compounds of yerba maté

    Directory of Open Access Journals (Sweden)

    César Sambiassi

    2002-06-01

    Full Text Available The objective of this research was the extraction optimization of water soluble compounds of yerba maté. Measures variables were extract concentration and weight of leaves and twigs. Controlled variables were time and temperature of extraction and water/solid relation. A surface response method of three variables was used as experimental design, with 20 experiences in each case. The range of each variable, defined in the experimental design, was: extraction time, 13.2 to 46.8 minutes; temperature, 48.2 to 81.8°C and water solid relation, 4.64 to 11.36 g water/100 g of dry solid. Extract weight varied from 13.14 to 29.56 g in leaves and 8.98 to 16.32 g in twigs (each one per 100 g of dry solid. Extract concentration varied between 2.17 and 3.43 g/100 ml in leaves and between 1.32 and 2.31 g/100 ml in twigs. The results were fit to a linear equation in each case.O objetivo desta pesquisa foi a otimização da extração aquosa da erva mate. As variáveis medidas foram a concentração do extrato e a massa das folhas e ramos. As variáveis controladas foram: o tempo e a temperatura de extração e a relação água/sólido. Como desenho experimental foi utilizado o método de resposta superficial de três variáveis, com vinte experiências em cada caso. A faixa de variação definida para as variáveis no desenho experimental foram: tempo de extração, de 13,2 a 46,8 minutos; temperatura, de 48,2 a 81,8 °C; relação água/sólido, de 4,64 a 11,36 gramas de água por gramas de sólido seco. A massa do extrato variou de 13,14 a 29,56 gramas para as folhas desramificadas e de 8,98 a 16,32 para os ramos (cada por 100 gramas de sólido seco. A concentração de extrato variou entre 2,17 a 3,43 g/ 100 ml nas folhas e entre 1,32 e 2,31 g/ 100 ml nos ramos. Os resultados foram, em ambos casos, ajustados para uma equação linear.

  6. Optimized microbial cells for production of melatonin and other compounds

    DEFF Research Database (Denmark)

    2017-01-01

    Described herein are recombinant microbial host cells comprising biosynthetic pathways and their use in producing oxidation products and downstream products, e.g., melatonin and related compounds, as well as enzyme variants, nucleic acids, vectors and methods useful for preparing and using...

  7. Tolerance of budding yeast Saccharomyces cerevisiae to ultra high pressure

    Science.gov (United States)

    Shibata, M.; Torigoe, M.; Matsumoto, Y.; Yamamoto, M.; Takizawa, N.; Hada, Y.; Mori, Y.; Takarabe, K.; Ono, F.

    2014-05-01

    Our studies on the tolerance of plants and animals against very high pressure of several GPa have been extended to a smaller sized fungus, the budding yeast Saccharomyces cerevisiae. Several pieces of budding yeast (dry yeast) were sealed in a small teflon capsule with a liquid pressure medium fluorinate, and exposed to 7.5 GPa by using a cubic anvil press. The pressure was kept constant for various duration of time from 2 to 24 h. After the pressure was released, the specimens were brought out from the teflon capsule, and they were cultivated on a potato dextrose agar. It was found that the budding yeast exposed to 7.5 GPa for up to 6 h showed multiplication. However, those exposed to 7.5 GPa for longer than 12 h were found dead. The high pressure tolerance of budding yeast is a little weaker than that of tardigrades.

  8. The principles of ultra high pressure technology and its application ...

    African Journals Online (AJOL)

    STORAGESEVER

    2008-08-18

    Aug 18, 2008 ... such as spoilage microorganisms, food pathogens, enzymes and food ... heavily preserved (e.g. less acid, salt, sugar) and less ... concerned with the mechanism and kinetics of pressure- .... training, food plant personnel can learn to safely operate ..... Milk was found to provide the microorganisms protection.

  9. The principles of ultra high pressure technology and its application ...

    African Journals Online (AJOL)

    Consumers have a growing preference for convenient, fresh-like, healthy, palatable, additive-free, highquality and microbiologically safe food products. However, as food deterioration is constant threat along the entire food chain, food preservation remains as necessary today as in the past. The food industry has responded ...

  10. Optimization of the Technological Synthesis of Refractory Compounds

    Science.gov (United States)

    Gaidar, S. M.; Karelina, M. Yu.; Prikhod'ko, V. M.; Volkov, A. A.

    2017-12-01

    The results of experimental studies, which are related to the regulation of the fractional composition of refractory compounds by roll milling in using controlled roll opening and unbalanced peripheral speeds of rollers, are reported. The content of prepared fine, middle, and coarse fractions is within 50-80%; in this case, the milling time of synthesis products is less than the time of ball milling by an order of magnitude. The application of roll milling for refining the products of self-propagating high-temperature synthesis can be most efficient in using together with heat-generating reactor to solve the main problem of self-propagating synthesis (SHS), which is a problem for recent several decades (the problem is the creation of intense automated production of refractory compounds in using continuous manufacturing cycle within a energotechnological system with the recovery of a great quantity of heat released during SHS).

  11. Ray tracing for optimization of compound parabolic concentrators for solar collectors of enclosed design

    OpenAIRE

    YURCHENKO, VLADIMIR; YURCHENKO, EDUARD; ÇİYDEM, MEHMET; TOTUK, ONAT

    2015-01-01

    We present our developments in computer simulations and optimization of compound parabolic concentrators (CPCs) for solar heat collectors. Issues of both the optical and thermal optimization of CPC collectors of enclosed design are discussed. Ray tracing results for a CPC with a V-shaped absorber are presented. A range of optimal values for the apex angle of a V-shaped absorber is proposed for a CPC collector of typical design.

  12. Optimization of Malaxation Process using Major Aroma Compounds in Virgin Olive Oil

    OpenAIRE

    Cevik,Serife; Ozkan,Gulcan; Kıralan,Mustafa

    2016-01-01

    ABSTRACT Optimization of major aroma compounds in olive oils produced from fruits at three maturity stages wasstudied. A central composite design was used for the optimization of malaxation conditions of temperature and times, each at five levels with 13 runs including five central points. The responses of interest were trans-2-hexenal and hexanal, which were investigated and their contents were optimized. A full quadratic second order regression model including the linear, quadratic, and two...

  13. Compound light ion fuel cycles: An approach to optimization

    International Nuclear Information System (INIS)

    Kernbichler, W.; Heindler, M.

    1985-01-01

    Together with the relatively high complexity and the low power density anticipated for fusion reactors have produced different attitude towards the long term perspective of fusion as a commercial energy source. The favourite pathway is to trust in optimization aiming at low tritium inventory, the availability of low-activation structure materials, the increase of redundancy, etc. In contrast, a respectable minority suggests turning away from d-t fusion or to envisage fusion as powerful neutron rather than energy source (fusion as fissile fuel or synfuel factory). We here intend to investigate the potentiality of fusion based on alternatives to d-t fuel. Such so called ''advanced fuels'' require higher burn temperatures and advanced reactor concepts (high-beta confinement schemes to compensate for their inherently lower reactivities. The experience that has been gained in fusion oriented plasma research admittedly justifies optimism for advanced fuels to a still lesser extent than for d-t. It can however be argued that it may pay off to choose a developmental direction with higher risk for failure but aiming at a more desirable end product. In order to explore this eventual desirability of advanced fuel fusion, we assume, as has been done in the case of d-t, that the first category of problems can be successfully handled. Our goal is thus to examine the potentiality of advanced fuels with respect to the second category of problems which largely determines the attractivity of utilization in fusion reactors

  14. Optimizing a culture medium for biomass and phenolic compounds production using Ganoderma lucidum

    Directory of Open Access Journals (Sweden)

    Carlos Andrés Zárate-Chaves

    2013-01-01

    Full Text Available The present work was aimed at optimizing a culture medium for biomass production and phenolic compounds by using Ganoderma lucidum. The culture was optimized in two stages; a Plackett-Burman design was used in the first one for identifying key components in the medium and a central composite design was used in the second one for optimizing their concentration. Both responses (biomass and phenolic compounds were simultaneously optimized by the latter methodology regarding desirability, and the optimal concentrations obtained were 50.00 g/L sucrose, 13.29 g/L yeast extract and 2.99 g/L olive oil. Maximum biomass production identified in these optimal conditions was 9.5 g/L and that for phenolic compounds was 0.0452 g/L, this being 100% better than that obtained in the media usually used in the laboratory. Similar patterns regarding chemical characterization and biological activity towards Aspergillus sp., from both fruiting body and mycelium-derived secondary metabolites and extracts obtained in the proposed medium were observed. It was shown that such statistical methodologies are useful for optimizing fermentation and, in the specific case of G. lucidum, optimizing processes for its production and its metabolites in submerged culture as an alternative to traditional culture.

  15. Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization.

    Science.gov (United States)

    Turk, Samo; Merget, Benjamin; Rippmann, Friedrich; Fulle, Simone

    2017-12-26

    Matched molecular pair (MMP) analyses are widely used in compound optimization projects to gain insights into structure-activity relationships (SAR). The analysis is traditionally done via statistical methods but can also be employed together with machine learning (ML) approaches to extrapolate to novel compounds. The here introduced MMP/ML method combines a fragment-based MMP implementation with different machine learning methods to obtain automated SAR decomposition and prediction. To test the prediction capabilities and model transferability, two different compound optimization scenarios were designed: (1) "new fragments" which occurs when exploring new fragments for a defined compound series and (2) "new static core and transformations" which resembles for instance the identification of a new compound series. Very good results were achieved by all employed machine learning methods especially for the new fragments case, but overall deep neural network models performed best, allowing reliable predictions also for the new static core and transformations scenario, where comprehensive SAR knowledge of the compound series is missing. Furthermore, we show that models trained on all available data have a higher generalizability compared to models trained on focused series and can extend beyond chemical space covered in the training data. Thus, coupling MMP with deep neural networks provides a promising approach to make high quality predictions on various data sets and in different compound optimization scenarios.

  16. Optimization of microwave assisted extraction (MAE) and soxhlet extraction of phenolic compound from licorice root

    OpenAIRE

    Karami, Zohreh; Emam-Djomeh, Zahra; Mirzaee, Habib Allah; Khomeiri, Morteza; Mahoonak, Alireza Sadeghi; Aydani, Emad

    2014-01-01

    In present study, response surface methodology was used to optimize extraction condition of phenolic compounds from licorice root by microwave application. Investigated factors were solvent (ethanol 80 %, methanol 80 % and water), liquid/solid ratio (10:1–25:1) and time (2–6 min). Experiments were designed according to the central composite rotatable design. The results showed that extraction conditions had significant effect on the extraction yield of phenolic compounds and antioxidant capac...

  17. Optimizing the sensitivity and radiological properties of the PRESAGE® dosimeter using metal compounds

    International Nuclear Information System (INIS)

    Alqathami, Mamdooh; Blencowe, Anton; Qiao, Greg; Adamovics, John; Geso, Moshi

    2012-01-01

    The aim of this study is to investigate the radiation-modifying effects of incorporating commercially available bismuth-, tin- and zinc-based compounds in the composition of the PRESAGE ® dosimeter, and the feasibility of employing such compounds for radiation dose enhancement. Furthermore, we demonstrate that metal compounds can be included in the formulation to yield water-equivalent PRESAGE ® dosimeters with enhanced dose response. Various concentrations of the metal compounds were added to a newly developed PRESAGE ® formulation and the resulting dosimeters were irradiated with 100 kV and 6 MV photon beams. A comparison between sensitivity and radiological properties of the PRESAGE ® dosimeters with and without the addition of metal compounds was carried out. Optical density changes of the dosimeters before and after irradiation were measured using a spectrophotometer. In general, when metal compounds were incorporated in the composition of the PRESAGE ® dosimeter, the sensitivity of the dosimeters to radiation dose increased depending on the type and concentration of the metal compound, with the bismuth compound showing the highest dose enhancement factor. In addition, these metal compounds were also shown to improve the retention of the post-response absorption value of the PRESAGE ® dosimeter over a period of 2 weeks. Thus, incorporating 1–3 mM (ca. 0.2 wt%) of any of the three investigated metal compounds in the composition of the PRESAGE ® dosimeter is found to be an efficient way to enhance the sensitivity of the dosimeter to radiation dose and stabilize its post-response for longer times. Furthermore, the addition of small amounts of the metal compounds also accelerates the polymerization of the PRESAGE ® dosimeter precursors, significantly reducing the fabrication time. Finally, a novel water-equivalent PRESAGE ® dosimeter formula optimized with metal compounds is proposed for clinical use in both kilovoltage and megavoltage radiotherapy

  18. Optimization of medium composition for the production of compounds effective against Xanthomonas campestris by bacillus subtilis

    Directory of Open Access Journals (Sweden)

    Rončević Zorana Z.

    2014-01-01

    Full Text Available The biocontrol agents are a very promising alternative to synthetic pesticides that are presently used to control plant diseases caused by phytopathogenic microorganisms. Members of the Bacillus genera are soil bacteria that produce significant quantities of agriculturally important bioactive compounds. Production of these compounds can be improved by changing the nutritional and environmental conditions. The aim of this study was the optimization of medium composition, using response surface methodology, for the production of compounds effective against Xanthomonas campestris ATCC 13951 by Bacillus subtilis ATCC 6633. To study the production of antimicrobial compounds by selected Bacillus strain, the producing microorganisms were cultivated on nutrient broth. The inhibition zone diameter of 18.0 mm obtained by the diffusion-disc method indicated that the used Bacillus subtilis strain produces compounds with antimicrobial activity against Xanthomonas campestris ATCC 13951. To optimize the composition of the cultivation medium in terms of glycerol, sodium nitrite and phosphates content, experiments were carried out in accordance with Box-Behnken design, and optimization of multiple responses was performed using the concept of desirability function. The developed model predicted that the maximum inhibition zone diameter (26.23 mm against tested phytopathogen is achieved when the initial content of glycerol, sodium nitrite and phosphate were 50.00 g/L, 2.85 g/L and 11.00 g/L, respectively. To minimize the consumption of medium components and costs of effluents processing, additional optimization set was made. The techno-economic analysis of the obtained results has to be done to select optimal medium composition for industrial production of antimicrobial compounds.

  19. Optimization of autohydrolysis conditions to extract antioxidant phenolic compounds from spent coffee grounds

    DEFF Research Database (Denmark)

    Ballesteros, Lina F.; Ramirez, Monica J.; Orrego, Carlos E.

    2017-01-01

    Autohydrolysis, which is an eco-friendly technology that employs only water as extraction solvent, was used to extract antioxidant phenolic compounds from spent coffee grounds (SCG). Experimental assays were carried out using different temperatures (160–200 °C), liquid/solid ratios (5–15 ml/g SCG.......46 mg TE/g SCG, and TAA = 66.21 mg α-TOC/g SCG) consisted in using 15 ml water/g SCG, at 200 °C during 50 min. Apart from being a green technology, autohydrolysis under optimized conditions was demonstrated to be an efficient method to extract antioxidant phenolic compounds from SCG....

  20. Optimization of Mechanical, Dynamical and Thermal Properties of a High Performance Tread Compound for Radial Tires

    Directory of Open Access Journals (Sweden)

    Mir Hamid Reza Ghoreishy

    2013-06-01

    Full Text Available A high performance passenger tire tread compound was optimized for its mechanical, dynamical and thermal properties. A reference compound was based on a blend of SBR and BR, sulfur and other ingredients without accelerator, carbon black and aromatic oil. The effects of CBS/TMTD and TBBS/TMTD as accelerator systems were studied with different quantities and the best accelerator system was chosen. Then, the blends of N330 and N550 carbon blacks were added in different quantities and the properties of these samples were studied to determine the best carbon black blend. Finally, the effect of different quantities of aromatic oil was investigated and the optimized quantity of aromatic oil and the final properties of tire tread compound were defined. The mechanical and dynamical tests were carried out on appropriate samples to determine tensile strength, elongation-at-break, fatigue-to-failure, abrasion resistance, hardness, resilience, dynamical-mechanical properties and temperature rise due to the heat build-up. The results showed that the compound containing 0.8 phr CBS, 0.7 phr TMTD, 40 phr N330,20 phr N550 and 15 phr aromatic oils demonstrated the best properties.

  1. Optimization of Malaxation Process using Major Aroma Compounds in Virgin Olive Oil

    Directory of Open Access Journals (Sweden)

    Serife Cevik

    Full Text Available ABSTRACT Optimization of major aroma compounds in olive oils produced from fruits at three maturity stages wasstudied. A central composite design was used for the optimization of malaxation conditions of temperature and times, each at five levels with 13 runs including five central points. The responses of interest were trans-2-hexenal and hexanal, which were investigated and their contents were optimized. A full quadratic second order regression model including the linear, quadratic, and two factor interaction effects was proposed to explain the variation in the contents of target compounds depending on the malaxation conditions. Adequacies of models were evaluated by checking regression coefficients for each model. Models were found to work with high success for trans-2-hexenal prediction for oils from fruits at both purple and black stages, whereas the model for hexanalwas only in black stage oil. Their regression coefficients were higher than 0.86. Influences of time and temperature for the malaxation process were found to be significant for the transition of major aroma compounds from the fruit matrix to olive oil. The optimum conditions of temperature and time pairs to maximize trans-2-hexenal and hexanal was found to be 23°C/31 minutes for black olive and to maximize only trans-2-hexenal was also 29°C/41 minutes for purple olive.

  2. Optimization of ultrasound-assisted extraction (UAE) of phenolic compounds from olive cake.

    Science.gov (United States)

    Mojerlou, Zohreh; Elhamirad, Amirhhossein

    2018-03-01

    The use of ultrasound in ultrasound-assisted extraction (UAE) is one of the main applications of this technology in food industry. This study aimed to optimize UAE conditions for olive cake extract (OCE) through response surface methodology (RSM). The optimal UAE conditions were obtained with extraction temperature of 56 °C, extraction time of 3 min, duty cycle of 0.6 s, and solid to solvent ratio of 3.6%. At the optimum conditions, the total phenolic compounds (TPC) content and antioxidant activity (AA) were measured 4.04 mg/g and 68.9%, respectively. The linear term of temperature had the most effect on TPC content and AA of OCE prepared by UAE. Protocatechuic acid and cinnamic acid were characterized as the highest (19.5%) and lowest (1.6%) phenolic compound measured in OCE extracted by UAE. This research revealed that UAE is an effective method to extract phenolic compounds from olive cake. RSM successfully optimized UAE conditions for OCE.

  3. Optimization of the solvent-based dissolution method to sample volatile organic compound vapors for compound-specific isotope analysis.

    Science.gov (United States)

    Bouchard, Daniel; Wanner, Philipp; Luo, Hong; McLoughlin, Patrick W; Henderson, James K; Pirkle, Robert J; Hunkeler, Daniel

    2017-10-20

    The methodology of the solvent-based dissolution method used to sample gas phase volatile organic compounds (VOC) for compound-specific isotope analysis (CSIA) was optimized to lower the method detection limits for TCE and benzene. The sampling methodology previously evaluated by [1] consists in pulling the air through a solvent to dissolve and accumulate the gaseous VOC. After the sampling process, the solvent can then be treated similarly as groundwater samples to perform routine CSIA by diluting an aliquot of the solvent into water to reach the required concentration of the targeted contaminant. Among solvents tested, tetraethylene glycol dimethyl ether (TGDE) showed the best aptitude for the method. TGDE has a great affinity with TCE and benzene, hence efficiently dissolving the compounds during their transition through the solvent. The method detection limit for TCE (5±1μg/m 3 ) and benzene (1.7±0.5μg/m 3 ) is lower when using TGDE compared to methanol, which was previously used (385μg/m 3 for TCE and 130μg/m 3 for benzene) [2]. The method detection limit refers to the minimal gas phase concentration in ambient air required to load sufficient VOC mass into TGDE to perform δ 13 C analysis. Due to a different analytical procedure, the method detection limit associated with δ 37 Cl analysis was found to be 156±6μg/m 3 for TCE. Furthermore, the experimental results validated the relationship between the gas phase TCE and the progressive accumulation of dissolved TCE in the solvent during the sampling process. Accordingly, based on the air-solvent partitioning coefficient, the sampling methodology (e.g. sampling rate, sampling duration, amount of solvent) and the final TCE concentration in the solvent, the concentration of TCE in the gas phase prevailing during the sampling event can be determined. Moreover, the possibility to analyse for TCE concentration in the solvent after sampling (or other targeted VOCs) allows the field deployment of the sampling

  4. Extraction of triterpenoids and phenolic compounds from Ganoderma lucidum: optimization study using the response surface methodology.

    Science.gov (United States)

    Oludemi, Taofiq; Barros, Lillian; Prieto, M A; Heleno, Sandrina A; Barreiro, Maria F; Ferreira, Isabel C F R

    2018-01-24

    The extraction of triterpenoids and phenolic compounds from Ganoderma lucidum was optimized by using the response surface methodology (RSM), using heat and ultrasound assisted extraction techniques (HAE and UAE). The obtained results were compared with that of the standard Soxhlet procedure. RSM was applied using a circumscribed central composite design with three variables (time, ethanol content, and temperature or ultrasonic power) and five levels. The conditions that maximize the responses (extraction yield, triterpenoids and total phenolics) were: 78.9 min, 90.0 °C and 62.5% ethanol and 40 min, 100.0 W and 89.5% ethanol for HAE and UAE, respectively. The latter was the most effective, resulting in an extraction yield of 4.9 ± 0.6% comprising a content of 435.6 ± 21.1 mg g -1 of triterpenes and 106.6 ± 16.2 mg g -1 of total phenolics. The optimized extracts were fully characterized in terms of individual phenolic compounds and triterpenoids by HPLC-DAD-ESI/MS. The recovery of the above-mentioned bioactive compounds was markedly enhanced using the UAE technique.

  5. Optimization of microwave assisted extraction (MAE) and soxhlet extraction of phenolic compound from licorice root.

    Science.gov (United States)

    Karami, Zohreh; Emam-Djomeh, Zahra; Mirzaee, Habib Allah; Khomeiri, Morteza; Mahoonak, Alireza Sadeghi; Aydani, Emad

    2015-06-01

    In present study, response surface methodology was used to optimize extraction condition of phenolic compounds from licorice root by microwave application. Investigated factors were solvent (ethanol 80 %, methanol 80 % and water), liquid/solid ratio (10:1-25:1) and time (2-6 min). Experiments were designed according to the central composite rotatable design. The results showed that extraction conditions had significant effect on the extraction yield of phenolic compounds and antioxidant capacities. Optimal condition in microwave assisted method were ethanol 80 % as solvent, extraction time of 5-6 min and liquid/solid ratio of 12.7/1. Results were compared with those obtained by soxhlet extraction. In soxhlet extraction, Optimum conditions were extraction time of 6 h for ethanol 80 % as solvent. Value of phenolic compounds and extraction yield of licorice root in microwave assisted (MAE), and soxhlet were 47.47 mg/g and 16.38 %, 41.709 mg/g and 14.49 %, respectively. These results implied that MAE was more efficient extracting method than soxhlet.

  6. Optimization of ultrasonic-assisted extraction of antioxidant compounds from Guava (Psidium guajava L.) leaves using response surface methodology.

    Science.gov (United States)

    Kong, Fansheng; Yu, Shujuan; Feng, Zeng; Wu, Xinlan

    2015-01-01

    To optimization of extraction of antioxidant compounds from guava (Psidium guajava L.) leaves and showed that the guava leaves are the potential source of antioxidant compounds. The bioactive polysaccharide compounds of guava leaves (P. guajava L.) were obtained using ultrasonic-assisted extraction. Extraction was carried out according to Box-Behnken central composite design, and independent variables were temperature (20-60°C), time (20-40 min) and power (200-350 W). The extraction process was optimized by using response surface methodology for the highest crude extraction yield of bioactive polysaccharide compounds. The optimal conditions were identified as 55°C, 30 min, and 240 W. 1,1-diphenyl-2-picryl-hydrazyl and hydroxyl free radical scavenging were conducted. The results of quantification showed that the guava leaves are the potential source of antioxidant compounds.

  7. A molecular informatics view on best practice in multi-parameter compound optimization.

    Science.gov (United States)

    Lusher, Scott J; McGuire, Ross; Azevedo, Rita; Boiten, Jan-Willem; van Schaik, Rene C; de Vlieg, Jacob

    2011-07-01

    The difference between biologically active molecules and drugs is that the latter balance an array of related and unrelated properties required for administration to patients. Inevitability, during optimization, some of these multiple factors will conflict. Although informatics has a crucial role in addressing the challenges of modern compound optimization, it is arguably still undervalued and underutilized. We present here some of the basic requirements of multi-parameter drug design, the crucial role of informatics and examples of favorable practice. The most crucial of these best practices are the need for informaticians to align their technologies and insights directly to discovery projects and for all scientists in drug discovery to become more proficient in the use of in silico methods. Copyright © 2011 Elsevier Ltd. All rights reserved.

  8. Optimized methodology for the simultaneous extraction of glucosinolates, phenolic compounds and antioxidant activity from maca (Lepidium meyenii)

    NARCIS (Netherlands)

    Campos, D.; Chirinos, R.; Barreto, O.; Noratto, G.; Pedreschi Plasencia, R.P.

    2013-01-01

    Maca is a highly appreciated Andean crop with multiple attributed health claims due to its assortment of bioactive compounds. The extraction parameters of glucosinolates (GLs), total phenolic compounds (TPC) and antioxidant capacity (AC) of maca (Lepidium meyenii) hypocotyls were optimized using

  9. Optimization of antioxidant phenolic compounds extraction from quinoa (Chenopodium quinoa) seeds.

    Science.gov (United States)

    Carciochi, Ramiro Ariel; Manrique, Guillermo Daniel; Dimitrov, Krasimir

    2015-07-01

    The objective of this study was to optimize the extraction conditions of phenolic and flavonoids compounds from quinoa (Chenopodium quinoa) seeds using ultrasound assistance technology. A randomized central composite face-centered design was used to evaluate the effect of extraction temperature, ethanol concentration in the solvent, and ultrasound power on the total phenolic content (TPC), total flavonoid content (TFC) and antioxidant activity by response surface analysis. Predicted model equations were obtained to describe the experimental data regarding TPC, TFC and antioxidant activity, with significant variation in the linear, quadratic, and interaction effects of the independent variables. Regression analysis showed that more than 88 % of the variability was explained by the models. The best extraction conditions obtained by simultaneous maximization of the responses were: extraction temperature of 60 °C, 80 % ethanol as solvent and non-application of ultrasounds. Under the optimal conditions, the corresponding predicted response values were 103.6 mg GAE/100 g dry weight (dw), 25.0 mg quercetin equiv./100 g dw and 28.6 % DPPH radical scavenging, for TPC, TFC and antioxidant activity, respectively. The experimental values agreed with those predicted within a 95 % confidence level, indicating the suitability of the employed model. HPLC analysis of the obtained extracts confirmed the highest phenolic compound yield in the extract obtained under optimal extraction conditions. Considering the characteristics of the antioxidant-rich extracts obtained, they could be consider for potential application in the food industry, as nutraceutical and functional foods ingredient or well as replacement of synthetic antioxidants.

  10. Construction and Optimization of a Heterologous Pathway for Protocatechuate Catabolism in Escherichia coli Enables Bioconversion of Model Aromatic Compounds.

    Science.gov (United States)

    Clarkson, Sonya M; Giannone, Richard J; Kridelbaugh, Donna M; Elkins, James G; Guss, Adam M; Michener, Joshua K

    2017-09-15

    The production of biofuels from lignocellulose yields a substantial lignin by-product stream that currently has few applications. Biological conversion of lignin-derived compounds into chemicals and fuels has the potential to improve the economics of lignocellulose-derived biofuels, but few microbes are able both to catabolize lignin-derived aromatic compounds and to generate valuable products. While Escherichia coli has been engineered to produce a variety of fuels and chemicals, it is incapable of catabolizing most aromatic compounds. Therefore, we engineered E. coli to catabolize protocatechuate, a common intermediate in lignin degradation, as the sole source of carbon and energy via heterologous expression of a nine-gene pathway from Pseudomonas putida KT2440. We next used experimental evolution to select for mutations that increased growth with protocatechuate more than 2-fold. Increasing the strength of a single ribosome binding site in the heterologous pathway was sufficient to recapitulate the increased growth. After optimization of the core pathway, we extended the pathway to enable catabolism of a second model compound, 4-hydroxybenzoate. These engineered strains will be useful platforms to discover, characterize, and optimize pathways for conversions of lignin-derived aromatics. IMPORTANCE Lignin is a challenging substrate for microbial catabolism due to its polymeric and heterogeneous chemical structure. Therefore, engineering microbes for improved catabolism of lignin-derived aromatic compounds will require the assembly of an entire network of catabolic reactions, including pathways from genetically intractable strains. Constructing defined pathways for aromatic compound degradation in a model host would allow rapid identification, characterization, and optimization of novel pathways. We constructed and optimized one such pathway in E. coli to enable catabolism of a model aromatic compound, protocatechuate, and then extended the pathway to a related

  11. Optimization of ultrasound-assisted extraction of polyphenolic compounds from coriander seeds using response surface methodology

    Directory of Open Access Journals (Sweden)

    Zeković Zoran P.

    2016-01-01

    Full Text Available Coriandrum sativum L. (coriander seeds (CS were used for preparation of extracts with high content of biologically active compounds. In order to optimize ultrasoundassisted extraction process, three levels and three variables of Box-Behnken experimental design (BBD in combination with response surface methodology (RSM were applied, yielding maximized total phenolics (TP and flavonoids (TF content and antioxidant activity (IC50 and EC50 values. Independent variables were temperature (40-80oC, extraction time (40-80 min and ultrasonic power (96-216 W. Experimental results were fitted to a second-order polynomial model with multiple regression, while the analysis of variance (ANOVA was employed to assess the model fitness and determine optimal conditions for TP (79.60oC, 49.20 min, 96.69 W, TF (79.40oC, 43.60 min, 216.00 W, IC50 (80.00oC, 60.40 min, 216.00 W and EC50 (78.40oC, 68.60 min, 214.80 W. On the basis of the obtained mathematical models, three-dimensional surface plots were generated. The predicted values for TP, TF, IC50 and EC50 were: 382.68 mg GAE/100 g CS, 216 mg CE/100 g CS, 0.03764 mg/mL and 0.1425 mg/mL, respectively. [Projekat Ministarstva nauke Republike Srbije, br. TR31013

  12. Optimized extraction of polyphenolic antioxidant compounds from Brazil nut (Bertholletia excelsa) cake and evaluation of the polyphenol profile by HPLC.

    Science.gov (United States)

    Gomes, Suellen; Torres, Alexandre G

    2016-06-01

    The solid residue (cake) of pressed Brazil nut oil has high energy value and contains high levels of nutrients and bioactive compounds, such as polyphenols. However, little is known about these components in this by-product. Extraction is the first step in investigating the phenolic compounds in Brazil nut cake because extraction conditions might impact the yields of phenolic compounds and antioxidant capacity. The aim of this study was to select the best phenolic compound extraction conditions for Brazil nut cake by using factorial experimental design and to characterize the phenolic compounds in the extract. The optimal extraction of antioxidant phenolic compounds from Brazil nut cake was achieved under the following conditions: ethanol-water (40:60; v/v); 2.5 min homogenization; and 1 h extraction at 60 °C. The phenolic compound profile of the Brazil nut cake extract using the optimized extraction was determined by high-performance liquid chromatography with photodiode array detection. Six phenolic acids (gallic acid, protocatechuic acid, 2,4-dihydroxybenzoic acid, p-hydroxybenzoic acid, p-coumaric acid and sinapic acid) and one flavonoid ((+)-catechin) were identified, and the contents of the phenolic compounds varied from 70.0 to 421 mg kg(-1) . Knowledge of the potential bioactivity of Brazil nut cake identified in the present study might promote its use in the food industry. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

  13. An Optimization of (Q,r Inventory Policy Based on Health Care Apparel Products with Compound Poisson Demands

    Directory of Open Access Journals (Sweden)

    An Pan

    2014-01-01

    Full Text Available Addressing the problems of a health care center which produces tailor-made clothes for specific people, the paper proposes a single product continuous review model and establishes an optimal policy for the center based on (Q,r control policy to minimize expected average cost on an order cycle. A generic mathematical model to compute cost on real-time inventory level is developed to generate optimal order quantity under stochastic stock variation. The customer demands are described as compound Poisson process. Comparisons on cost between optimization method and experience-based decision on Q are made through numerical studies conducted for the inventory system of the center.

  14. Supercritical Carbon Dioxide Extraction of Bioactive Compounds from Ampelopsis grossedentata Stems: Process Optimization and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Da Sun

    2011-10-01

    Full Text Available Supercritical carbon dioxide (SC-CO2 extraction of bioactive compounds including flavonoids and phenolics from Ampelopsis grossedentata stems was carried out. Extraction parameters such as pressure, temperature, dynamic time and modifier, were optimized using an orthogonal array design of L9 (34, and antioxidant activities of the extracts were evaluated by 2,2-diphenyl-1-picrylhydrazyl (DPPH free radical scavenging assay and ferrous ion chelating (FIC assay. The best conditions obtained for SC-CO2 extraction of flavonoids was 250 bar, 40 °C, 50 min, and with a modifier of methanol/ethanol (1:3, v/v, and that for phenolics extraction was 250 bar, 40 °C, 50 min, and with a modifier of methanol/ethanol (1:1, v/v. Meantime, flavonoids and phenolics were found to be mainly responsible for the DPPH scavenging activity of the extracts, but not for the chelating activity on ferrous ion according to Pearson correlation analysis. Furthermore, several unreported flavonoids such as apigenin, vitexin, luteolin, etc., have been detected in the extracts from A. grossedentata stems.

  15. Optimization of Phenolic Compounds Extraction from Flax Shives and Their Effect on Human Fibroblasts

    Directory of Open Access Journals (Sweden)

    Magdalena Czemplik

    2017-01-01

    Full Text Available The goal of this study was to evaluate the most effective technique for extraction of phenolics present in flax shives and to assess their effect on human fibroblasts. Flax shives are by-products of fibre separation, but they were found to be a rich source of phenolic compounds and thus might have application potential. It was found that the optimal procedure for extraction of phenolics was hydrolysis enhanced by the ultrasound with NaOH for 24 h at 65°C and subsequent extraction with ethyl acetate. The influence of the flax shives extract on fibroblast growth and viability was assessed using the MTT and SRB tests. Moreover, the influence of flax shives extract on the extracellular matrix remodelling process was verified. The 20% increase of the viability was observed upon flax shives extract treatment and the decrease of mRNA collagen genes, an increase of matrix metalloproteinase gene expression, and reduction in levels of interleukin 6, interleukin 10, and suppressor of cytokinin signaling 1 mRNA were observed. Alterations in MCP-1 mRNA levels were dependent on flax shives extract concentration. Thus, we suggested the possible application of flax shives extract in the wound healing process.

  16. Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

    Science.gov (United States)

    Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao

    2015-11-01

    Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease LTC. However, such trials have yielded successes only within a limited exploration space. Here, we report the virtual screening of a library containing 54 779 compounds. Our strategy is to search the library through Bayesian optimization using for the initial data the LTC obtained from first-principles anharmonic lattice-dynamics calculations for a set of 101 compounds. We discovered 221 materials with very low LTC. Two of them even have an electronic band gap <1 eV , which makes them exceptional candidates for thermoelectric applications. In addition to those newly discovered thermoelectric materials, the present strategy is believed to be powerful for many other applications in which the chemistry of materials is required to be optimized.

  17. Construction and Optimization of a Heterologous Pathway for Protocatechuate Catabolism in Escherichia coli Enables Bioconversion of Model Aromatic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Clarkson, Sonya M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Giannone, Richard J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Kridelbaugh, Donna M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Elkins, James G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Guss, Adam M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Michener, Joshua K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division, BioEnergy Science Center; Vieille, Claire [Michigan State Univ., East Lansing, MI (United States)

    2017-07-21

    The production of biofuels from lignocellulose yields a substantial lignin by-product stream that currently has few applications. Biological conversion of lignin-derived compounds into chemicals and fuels has the potential to improve the economics of lignocellulose-derived biofuels, but few microbes are able both to catabolize lignin-derived aromatic compounds and to generate valuable products. WhileEscherichia colihas been engineered to produce a variety of fuels and chemicals, it is incapable of catabolizing most aromatic compounds. Therefore, we engineeredE. colito catabolize protocatechuate, a common intermediate in lignin degradation, as the sole source of carbon and energy via heterologous expression of a nine-gene pathway fromPseudomonas putidaKT2440. Then, we used experimental evolution to select for mutations that increased growth with protocatechuate more than 2-fold. Increasing the strength of a single ribosome binding site in the heterologous pathway was sufficient to recapitulate the increased growth. After optimization of the core pathway, we extended the pathway to enable catabolism of a second model compound, 4-hydroxybenzoate. These engineered strains will be useful platforms to discover, characterize, and optimize pathways for conversions of lignin-derived aromatics.

    IMPORTANCELignin is a challenging substrate for microbial catabolism due to its polymeric and heterogeneous chemical structure. Therefore, engineering microbes for improved catabolism of lignin-derived aromatic compounds will require the assembly of an entire network of catabolic reactions, including pathways from genetically intractable strains. By constructing defined pathways for aromatic compound degradation in a model host would allow rapid

  18. Optimization of Ultrasound-assisted Extraction of Phenolic Compounds from Myrcia amazonica DC. (Myrtaceae) Leaves

    Science.gov (United States)

    de Morais Rodrigues, Mariana Cristina; Borges, Leonardo Luiz; Martins, Frederico Severino; Mourão, Rosa Helena V.; da Conceição, Edemilson Cardoso

    2016-01-01

    Background: Myrcia amazonica. DC is a species predominantly found in northern Brazil, and belongs to the Myrtaceae family, which possess various species used in folk medicine to treat gastrointestinal disorders, infectious diseases, and hemorrhagic conditions and are known for their essential oil contents. Materials and Methods: This study aimed applied the Box–Behnken design combined with response surface methodology to optimize ultrasound-assisted extraction of total polyphenols, total tannins (TT), and total flavonoids (TF) from M. amazonica DC. Results: The results indicated that the best conditions to obtain highest yields of TT were in lower levels of alcohol degree (65%), time (15 min), and also solid: Liquid ratio (solid to liquid ratio; 20 mg: 5 mL). The TF could be extracted with high amounts with higher extraction times (45 min), lower values of solid: Liquid ratio (20 mg: mL), and intermediate alcohol degree level. Conclusion: The exploitation of the natural plant resources present very important impact for the economic development, and also the valorization of great Brazilian biodiversity. The knowledge obtained from this work should be useful to further exploit and apply this raw material. SUMMARY Myrcia amazonica leaves possess phenolic compounds with biological applications;Lower levels of ethanolic strength are more suitable to obtain a igher levels of phenolic compouds such as tannins;Box-Behnken design indicates to be useful to explore the best conditions of ultrasound assisted extraction. Abbreviation used: Nomenclature ES: Ethanolic strength, ET: Extraction time, SLR: Solid to liquid ratio, TFc: Total flavonoid contents, TPc: Total polyphenol contents, TTc: Total tannin contents PMID:27019555

  19. Optimization and evaluation of multi-bed adsorbent tube method in collection of volatile organic compounds

    Science.gov (United States)

    Ho, Steven Sai Hang; Wang, Liqin; Chow, Judith C.; Watson, John G.; Xue, Yonggang; Huang, Yu; Qu, Linli; Li, Bowei; Dai, Wenting; Li, Lijuan; Cao, Junji

    2018-04-01

    The feasibility of using adsorbent tubes to collect volatile organic compounds (VOCs) has been demonstrated since the 1990's and standardized as Compendium Method TO-17 by the U.S. Environmental Protection Agency (U.S EPA). This paper investigates sampling and analytical variables on concentrations of 57 ozone (O3) precursors (C2-C12 aliphatic and aromatic VOCs) specified for the Photochemical Assessment Monitoring Station (PAMS). Laboratory and field tests examined multi-bed adsorbent tubes containing a sorbate combination of Tenax TA, Carbograph 1 TD, and Carboxen 1003. Analyte stabilities were influenced by both collection tube temperature and ambient O3 concentrations. Analytes degraded during storage, while blank levels were elevated by passive adsorption. Adsorbent tube storage under cold temperatures (- 10 °C) in a preservation container filled with solid silica gel and anhydrous calcium sulfate (CaSO4) ensured sample integrity. A high efficiency (> 99%) O3 scrubber (i.e., copper coil tube filled with saturated potassium iodide [KI]) removed O3 (i.e., air stream with a sampling capacity of 30 h. Water vapor scrubbers interfered with VOC measurements. The optimal thermal desorption-gas chromatography/mass spectrometry (TD-GC/MS) desorption time of 8 min was found at 330 °C. Good linearity (R2 > 0.995) was achieved for individual analyte calibrations (with the exception of acetylene) for mixing ratios of 0.08-1.96 ppbv. The method detection limits (MDLs) were below 0.055 ppbv for a 3 L sample volume. Replicate analyses showed relative standard deviations (RSDs) of < 10%, with the majority of the analytes within < 5%.

  20. Multi-objective robust optimization method for the modified epoxy resin sheet molding compounds of the impeller

    Directory of Open Access Journals (Sweden)

    Xiaozhang Qu

    2016-07-01

    Full Text Available A kind of modified epoxy resin sheet molding compounds of the impeller has been designed. Through the test, the non-metal impeller has a better environmental aging performance, but must do the waterproof processing design. In order to improve the stability of the impeller vibration design, the influence of uncertainty factors is considered, and a multi-objective robust optimization method is proposed to reduce the weight of the impeller. Firstly, based on the fluid-structure interaction,the analysis model of the impeller vibration is constructed. Secondly, the optimal approximate model of the impeller is constructed by using the Latin hypercube and radial basis function, and the fitting and optimization accuracy of the approximate model is improved by increasing the sample points. Finally, the micro multi-objective genetic algorithm is applied to the robust optimization of approximate model, and the Monte Carlo simulation and Sobol sampling techniques are used for reliability analysis. By comparing the results of the deterministic, different sigma levels and different materials, the multi-objective optimization of the SMC molding impeller can meet the requirements of engineering stability and lightweight. And the effectiveness of the proposed multi-objective robust optimization method is verified by the error analysis. After the SMC molding and the robust optimization of the impeller, the optimized rate reached 42.5%, which greatly improved the economic benefit, and greatly reduce the vibration of the ventilation system.

  1. Evaluation and optimization of compound solubilization and delivery methods in a two-tiered ion channel lead optimization triage.

    Science.gov (United States)

    Hendricson, Adam W; Gallagher, Liz; Matchett, Michele; Ferrante, Meredith; Spence, Steve; Paiva, Tony; Shou, Wilson; Tertyshnikova, Svetlana; Krambis, Mike; Post-Munson, Deborah; Zhang, Litao; Knox, Ron

    2012-04-01

    Low-volume dispensing of neat dimethyl sulfoxide (DMSO) into plate-based assays conserves compound, assay reagents, and intermediate dilution plate cost and, as we demonstrate here, significantly improves structure-activity relationship resolution. Acoustic dispensing of DMSO solutions into standard volume 384W plates yielded inconsistent results in studies with 2 cell lines because of apparent effects on the integrity of the cell monolayer (increased intracellular Ca⁺⁺ levels as indicated by elevated basal dye fluorescence after acoustic transfer). PocketTip-mediated transfer was successful at increasing apparent potency on a more consistent basis. Notably, the correlation coefficient among fluorescence imaging plate reader (FLIPR):electrophysiology (EP) across a representative ~125 compound collection was increased ~5× via conversion to a PocketTip direct dispensation, indicating a triage assay more predictive of activity in the decisional patch-clamp assay. Very importantly, the EP-benchmarked false-negative rate as measured by compounds with FLIPR EC₅₀ more than the highest concentration tested fell from >11% to 5% assay-wide, and the relative FLIPR:EP rank-order fidelity increased from 55% to 78%. Elimination of the aqueous intermediate step provided additional benefits, including reduced assay cost, decreased cycle time, and reduced wet compound consumption rate. Direct DMSO dispensing has broad applicability to cell-based functional assays of multiple varieties, especially in cases where limit solubility in assay buffer is a recognized impediment to maximizing interassay connectivity.

  2. Measurement methods and optimization of radiation protection: the case of internal exposure by inhalation to natural uranium compounds

    International Nuclear Information System (INIS)

    Degrange, J.P.; Gibert, B.

    1998-01-01

    The aim of this presentation is to discuss the ability of different measurement methods (air sampling and biological examinations) to answer to demands in the particular case of internal exposure by inhalation to natural uranium compounds. The realism and the sensitivity of each method are studied, on the base of new dosimetric models of the ICRP. The ability of analysis of these methods in order to optimize radiation protection are then discussed. (N.C.)

  3. [Loudness optimized registration of compound action potential in cochlear implant recipients].

    Science.gov (United States)

    Berger, Klaus; Hocke, Thomas; Hessel, Horst

    2017-11-01

    Background Postoperative measurements of compound action potentials are not always possible due to the insufficient acceptance of the CI-recipients. This study investigated the impact of different parameters on the acceptance of the measurements. Methods Compound action potentials of 16 CI recipients were measured with different pulse-widths. Recipients performed a loudness rating at the potential thresholds with the different sequences. Results Compound action potentials obtained with higher pulse-widths were rated softer than those obtained with smaller pulse-widths. Conclusions Compound action potentials measured with higher pulse-widths generate a gap between loudest acceptable presentation level and potential threshold. This gap contributes to a higher acceptance of postoperative measurements. Georg Thieme Verlag KG Stuttgart · New York.

  4. Optimization of pressurized liquid extraction by response surface methodology of Goji berry (Lycium barbarum L.) phenolic bioactive compounds.

    Science.gov (United States)

    Tripodo, Giusy; Ibáñez, Elena; Cifuentes, Alejandro; Gilbert-López, Bienvenida; Fanali, Chiara

    2018-01-03

    Pressurized liquid extraction (PLE) has been used for the first time in this work to extract phenolic compounds from Goji berries according to a multilevel factorial design using response surface methodology. The global yield (% w/dw, weight/dry-weight), total phenolic content (TPC), total flavonoid (TF) and antioxidant activity (determined via ABTS assay, expressed as TEAC value) were used as response variables to study the effects of temperature (50-180°C) and green solvent composition (mixtures of ethanol/water). Phenolic compounds characterization was performed by high performance liquid chromatography-diode array detector-tandem mass spectrometry (HPLC-DAD-MS/MS). The optimum PLE conditions predicted by the model were as follows: 180°C and 86% ethanol in water with a good desirability value of 0.815. The predicted conditions were confirmed experimentally and once the experimental design was validated for commercial fruit samples, the PLE extraction of phenolic compounds from three different varieties of fruit samples (Selvatico mongolo, Bigol, and Polonia) was performed. Nine phenolic compounds were tentatively identified in these extracts, including phenolic acids and their derivatives, and flavonols. The optimized PLE conditions were compared to a conventional solid-liquid extraction, demonstrating that PLE is a useful alternative to extract phenolic compounds from Goji berry. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. [Optimization of solid-phase extraction for enrichment of toxic organic compounds in water samples].

    Science.gov (United States)

    Zhang, Ming-quan; Li, Feng-min; Wu, Qian-yuan; Hu, Hong-ying

    2013-05-01

    A concentration method for enrichment of toxic organic compounds in water samples has been developed based on combined solid-phase extraction (SPE) to reduce impurities and improve recoveries of target compounds. This SPE method was evaluated in every stage to identify the source of impurities. Based on the analysis of Waters Oasis HLB without water samples, the eluent of SPE sorbent after dichloromethane and acetone contributed 85% of impurities during SPE process. In order to reduce the impurities from SPE sorbent, soxhlet extraction of dichloromethane followed by acetone and lastly methanol was applied to the sorbents for 24 hours and the results had proven that impurities were reduced significantly. In addition to soxhlet extraction, six types of prevalent SPE sorbents were used to absorb 40 target compounds, the lgK(ow) values of which were within the range of 1.46 and 8.1, and recovery rates were compared. It was noticed and confirmed that Waters Oasis HLB had shown the best recovery results for most of the common testing samples among all three styrenedivinylbenzene (SDB) polymer sorbents, which were 77% on average. Furthermore, Waters SepPak AC-2 provided good recovery results for pesticides among three types of activated carbon sorbents and the average recovery rates reached 74%. Therefore, Waters Oasis HLB and Waters SepPak AC-2 were combined to obtain a better recovery and the average recovery rate for the tested 40 compounds of this new SPE method was 87%.

  6. Optimization and application of atmospheric pressure chemical and photoionization hydrogen-deuterium exchange mass spectrometry for speciation of oxygen-containing compounds.

    Science.gov (United States)

    Acter, Thamina; Kim, Donghwi; Ahmed, Arif; Jin, Jang Mi; Yim, Un Hyuk; Shim, Won Joon; Kim, Young Hwan; Kim, Sunghwan

    2016-05-01

    This paper presents a detailed investigation of the feasibility of optimized positive and negative atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) and atmospheric pressure photoionization (APPI) MS coupled to hydrogen-deuterium exchange (HDX) for structural assignment of diverse oxygen-containing compounds. The important parameters for optimization of HDX MS were characterized. The optimized techniques employed in the positive and negative modes showed satisfactory HDX product ions for the model compounds when dichloromethane and toluene were employed as a co-solvent in APCI- and APPI-HDX, respectively. The evaluation of the mass spectra obtained from 38 oxygen-containing compounds demonstrated that the extent of the HDX of the ions was structure-dependent. The combination of information provided by different ionization techniques could be used for better speciation of oxygen-containing compounds. For example, (+) APPI-HDX is sensitive to compounds with alcohol, ketone, or aldehyde substituents, while (-) APPI-HDX is sensitive to compounds with carboxylic functional groups. In addition, the compounds with alcohol can be distinguished from other compounds by the presence of exchanged peaks. The combined information was applied to study chemical compositions of degraded oils. The HDX pattern, double bond equivalent (DBE) distribution, and previously reported oxidation products were combined to predict structures of the compounds produced from oxidation of oil. Overall, this study shows that APCI- and APPI-HDX MS are useful experimental techniques that can be applied for the structural analysis of oxygen-containing compounds.

  7. Prediction and optimization of the laccase-mediated synthesis of the antimicrobial compound iodine (I2).

    Science.gov (United States)

    Schubert, M; Fey, A; Ihssen, J; Civardi, C; Schwarze, F W M R; Mourad, S

    2015-01-10

    An artificial neural network (ANN) and genetic algorithm (GA) were applied to improve the laccase-mediated oxidation of iodide (I(-)) to elemental iodine (I2). Biosynthesis of iodine (I2) was studied with a 5-level-4-factor central composite design (CCD). The generated ANN network was mathematically evaluated by several statistical indices and revealed better results than a classical quadratic response surface (RS) model. Determination of the relative significance of model input parameters, ranking the process parameters in order of importance (pH>laccase>mediator>iodide), was performed by sensitivity analysis. ANN-GA methodology was used to optimize the input space of the neural network model to find optimal settings for the laccase-mediated synthesis of iodine. ANN-GA optimized parameters resulted in a 9.9% increase in the conversion rate. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Simulating and optimizing compound refractive lens-based X-ray microscopes

    DEFF Research Database (Denmark)

    Simons, Hugh; Ahl, Sonja Rosenlund; Poulsen, Henning Friis

    2017-01-01

    A comprehensive optical description of compound refractive lenses (CRLs) in condensing and full-field X-ray microscopy applications is presented. The formalism extends ray-transfer matrix analysis by accounting for X-ray attenuation by the lens material. Closed analytical expressions for critical......-lens limit. This limit may be satisfied by a range of CRL geometries, suggesting alternative approaches to improving the resolution and efficiency of CRLs and X-ray microscopes....

  9. Computer-assisted optimization of reversed-phase HPLC isocratic separations of neutral compounds

    NARCIS (Netherlands)

    Baczek, T.; Kaliszan, R.; Claessens, H.A.; Straten, van M.A.

    2001-01-01

    Rational selection of optimized exptl. conditions for chromatog. sepn. of analytes is realized nowadays by means of specialized computer programs. Two such programs, DryLab (LC Resources, Walnut Creek, California, USA) and ChromSword (Merck KGaA, Darmstadt, Germany), were compared. The aim of the

  10. A molecular informatics view on best practice in multi-parameter compound optimization

    NARCIS (Netherlands)

    Lusher, S.J.; McGuire, R.; Azevedo, R.; Boiten, J.W.; Schaik, van R.C.; Vlieg, de J.

    2011-01-01

    The difference between biologically active molecules and drugs is that the latter balance an array of related and unrelated properties required for administration to patients. Inevitability, during optimization, some of these multiple factors will conflict. Although informatics has a crucial role in

  11. Applications of high and ultra high pressure homogenization for food safety

    Directory of Open Access Journals (Sweden)

    Francesca Patrignani

    2016-08-01

    Full Text Available Traditionally, the shelf-life and safety of foods have been achieved by thermal processing. Low temperature long time (LTLT and high temperature short time (HTST treatments are the most commonly used hurdles for the pasteurization of fluid foods and raw materials. However, the thermal treatments can reduce the product quality and freshness. Consequently, some non-thermal pasteurization process have been proposed during the last decades, including high hydrostatic pressure (HHP, pulsed electric field (PEF, ultrasound (US and high pressure homogenization (HPH. This last technique has been demonstrated to have a great potential to provide fresh-like products with prolonged shelf-life. Moreover, the recent developments in high-pressure-homogenization technology and the design of new homogenization valves able to withstand pressures up to 350-400 MPa have opened new opportunities to homogenization processing in the food industries and, consequently, permitted the development of new products differentiated from traditional ones by sensory and structural characteristics or functional properties. For this, this review deals with the principal mechanisms of action of high pressure homogenization against microorganisms of food concern in relation to the adopted homogenizer and process parameters. In addition, the effects of homogenization on foodborne pathogenic species inactivation in relation to the food matrix and food chemico-physical and process variables will be reviewed. Also the combined use of this alternative technology with other non-thermal technologies will be considered

  12. Applications of High and Ultra High Pressure Homogenization for Food Safety

    OpenAIRE

    Patrignani, Francesca; Lanciotti, Rosalba

    2016-01-01

    Traditionally, the shelf-life and safety of foods have been achieved by thermal processing. Low temperature long time (LTLT) and high temperature short time (HTST) treatments are the most commonly used hurdles for the pasteurization of fluid foods and raw materials. However, the thermal treatments can reduce the product quality and freshness. Consequently, some non-thermal pasteurization process have been proposed during the last decades, including high hydrostatic pressure (HHP), pulsed ele...

  13. Ultra High Pressure Homogenization of Soy Milk: Effect on Quality Attributes during Storage

    Directory of Open Access Journals (Sweden)

    Jaideep S. Sidhu

    2016-06-01

    Full Text Available The present work analyzed soy milk prepared from whole dehulled soybeans. The traditional method of soy milk preparation leads to wastage of about 35% of soybean solids in the form of okara, which gets filtered out. In the current study, soy milk was prepared with practically 100% recovery of soybean solids and treated with continuous flow high pressure processing (207 and 276 MPa pressure, 121 and 145 °C exit temperatures, and 0.75 and 1.25 L/min flow rates, and the changes in the physical, chemical, microbial, and sensory properties during 28 days of storage at 4 °C were analyzed. The treated soy milk remained stable for 28 days. There was a significant reduction in the particle size of soybean solids which did not change during storage. The pH of the treated soy milk was significantly lower than the untreated soy milk and it reduced further upon storage. The soy milk was pasteurized with high pressure processing coupled with preheating. No lipoxygenase activity was detected. Compared to commercial samples, there was no significant difference in the astringency, bitterness, or chalkiness of soy milk prepared in the study.

  14. Evaluation of Ultra High Pressure (UHP) Firefighting in a Room-and-Contents Fire

    Science.gov (United States)

    2017-03-15

    legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or...venomous insects. Abort Criteria and Procedures If a fire has already been lit and an abort is necessary, the firefighter(s) will attempt to put

  15. Ultra high pressure liquid chromatography. Column permeability and changes of the eluent properties.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2008-04-11

    The behavior of four similar liquid chromatography columns (2.1mm i.d. x 30, 50, 100, and 150 mm, all packed with fine particles, average d(p) approximately 1.7 microm, of bridged ethylsiloxane/silica hybrid-C(18), named BEH-C(18)) was studied in wide ranges of temperature and pressure. The pressure and the temperature dependencies of the viscosity and the density of the eluent (pure acetonitrile) along the columns were also derived, using the column permeabilities and applying the Kozeny-Carman and the heat balance equations. The heat lost through the external surface area of the chromatographic column was directly derived from the wall temperature of the stainless steel tube measured with a precision of +/-0.2 degrees C in still air and +/-0.1 degrees C in the oven compartment. The variations of the density and viscosity of pure acetonitrile as a function of the temperature and pressure was derived from empirical correlations based on precise experimental data acquired between 298 and 373 K and at pressures up to 1.5 kbar. The measurements were made with the Acquity UPLC chromatograph that can deliver a maximum flow rate of 2 mL/min and apply a maximum column inlet pressure of 1038 bar. The average Kozeny-Carman permeability constant of the columns was 144+/-3.5%. The temperature hence the viscosity and the density profiles of the eluent along the column deviate significantly from linear behavior under high-pressure gradients. For a 1000 bar pressure drop, we measured DeltaT=25-30 K, (Deltaeta/eta) approximately 100%, and (Deltarho/rho) approximately 10%. These results show that the radial temperature profiles are never fully developed within 1% for any of the columns, even under still-air conditions. This represents a practical advantage regarding the apparent column efficiency at high flow rates, since the impact of the differential analyte velocity between the column center and the column wall is not maximum. The interpretation of the peak profiles recorded in UPLC is discussed.

  16. The Development and Design of a Prototype Ultra High Pressure P-19 Firefighting Vehicle

    National Research Council Canada - National Science Library

    Menchini, Christopher P; Dierdorf, Douglas; Kalberer, Jennifer L; McDonald, Michael J; Cozart, Kristofor S; Casarez, Adriana; Carr, Jr, Virgil J

    2007-01-01

    ...) and combined agent firefighting using compressed air foam (CAF) and dry chemical. The latest demonstrator uniquely incorporating both UHP and combined agent firefighting capability is a retrofitted P-19...

  17. Kinetic and thermodynamic analysis of ultra-high pressure and heat ...

    African Journals Online (AJOL)

    Agriculture/Synergetic Innovation Center of Food Safety and Nutrition, Nanjing ... Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine ..... efficacy evaluation of anti-cancer drugs in apoptosis.

  18. Applications of High and Ultra High Pressure Homogenization for Food Safety.

    Science.gov (United States)

    Patrignani, Francesca; Lanciotti, Rosalba

    2016-01-01

    Traditionally, the shelf-life and safety of foods have been achieved by thermal processing. Low temperature long time and high temperature short time treatments are the most commonly used hurdles for the pasteurization of fluid foods and raw materials. However, the thermal treatments can reduce the product quality and freshness. Consequently, some non-thermal pasteurization process have been proposed during the last decades, including high hydrostatic pressure, pulsed electric field, ultrasound (US), and high pressure homogenization (HPH). This last technique has been demonstrated to have a great potential to provide "fresh-like" products with prolonged shelf-life. Moreover, the recent developments in high-pressure-homogenization technology and the design of new homogenization valves able to withstand pressures up to 350-400 MPa have opened new opportunities to homogenization processing in the food industries and, consequently, permitted the development of new products differentiated from traditional ones by sensory and structural characteristics or functional properties. For this, this review deals with the principal mechanisms of action of HPH against microorganisms of food concern in relation to the adopted homogenizer and process parameters. In addition, the effects of homogenization on foodborne pathogenic species inactivation in relation to the food matrix and food chemico-physical and process variables will be reviewed. Also the combined use of this alternative technology with other non-thermal technologies will be considered.

  19. Shelf Stable Egg-Based Products Processed By Ultra High Pressure Technology

    Science.gov (United States)

    2008-07-03

    found with the colorimeter (table 7). Since egg patties were previously heat formed, it is not surprising that there were no significant differences...675 MPa) agreed with the color ratings by the descriptive panel. Table 7. Color and appearance of patty formulation #1 as indicated by colorimeter

  20. Development and Evaluation of a Prototype Wheeled Ultra-High Pressure Extinguisher System with Novec 1230

    Science.gov (United States)

    2016-01-01

    extinguisher containing the Novec 1230 firefighting agent manufactured by 3M. This effort expanded upon a previous evaluation of the Amerex Corporation model...Air Force Civil Engineer Center (AFCEC) performed a series of tests to evaluate the performance of the Amerex Corporation model 775 wheeled...Extinguishing Effectiveness Tests, McDonald , Michael J. et al. Defense Technical Information Center. AFRL-ML-TY-TR-2004-4554, October 2005. 9. F100

  1. Required developments towards ultra high pressure and temperature subsea tree system solutions

    Energy Technology Data Exchange (ETDEWEB)

    Queseth, Per-Olaf

    2010-07-01

    For the subsea High Pressure High Temperature oil and gas production systems, the primary challenge is to provide good, reliable solutions for HPHT reservoir exploitation based on an overview of parameters for already discovered potential fields. The paper will present a resume of Aker Solutions' previous development in this area exemplified with experiences from testing and operator observations during production start of HPHT fields in the North Sea. Further improvements are required to comply with the extreme pressures and temperatures sought to overcome. 'The Devil is in the details' is a very relevant proverb. A program to qualify subsea production X-mas trees for Ultra HPHT use will be presented with highlight on sealing systems, feed-through solutions and materials as well as impact on interfacing systems. Preliminary and intermediate analytical and test results will be presented and remaining activities summarised. (Author)

  2. Environmental assessment of Ultra-High Pressure Homogenisation for milk and fresh cheese production

    DEFF Research Database (Denmark)

    Valsasina, Lucia; Pizzol, Massimo; Smetana, Sergiy

    2015-01-01

    Temperature (UHT) treatment and, at the same time, to lower energy consumptions through the combination of pasteurisation and homogenisation in a single process. Furthermore, the use of UHPH treated milk for the production of fresh cheese has been proven to increase shelf life days and increase yield...... This study provides an LCA of UHPH and UHT processing of milk and fresh cheese production from processing to end-of-life....

  3. Effect of temperature on the transport of solvents through PTMSP under ultra-high pressures

    International Nuclear Information System (INIS)

    Grekhov, A M; Belogorlov, A A; Eremin, Yu S; Pastukhova, E V; Yushkin, A A; Volkov, A V

    2016-01-01

    Despite a large number of studies, by now there is no any definitive explanation of the solvent transport mechanism in nanostructured polymer materials. Both convective and diffusive transport of solvents can be observed in these materials. The study of the solvents permeability at different temperatures and pressures allow the variation of the physical parameters and structure of the solvent-membrane interaction thus becoming the key factor in the understanding of the fundamental aspects of the selective transport process in nanostructured polymer membranes. The paper presents the study of ethanol, propanol and water transport through poly [1- (trimethylsilyl)-l-propine] (PTMSP) at pressures 50-150 atm and temperature up to 90°C. The study was done by the method of pressure dynamic decay. As the temperature rises, the permeability of ethanol and propanol through PTMSP is shown to increase in proportion to decreasing viscosity that denotes a convective type of transport. As for water, the permeability change is thermo-activated that is typical for a diffusive type of transport. This difference in the transport characteristics can be related to a change in the membrane structure and energetic characteristics of the solvent-polymer interaction. (paper)

  4. Optimizing Parameters of Axial Pressure-Compounded Ultra-Low Power Impulse Turbines at Preliminary Design

    Science.gov (United States)

    Kalabukhov, D. S.; Radko, V. M.; Grigoriev, V. A.

    2018-01-01

    Ultra-low power turbine drives are used as energy sources in auxiliary power systems, energy units, terrestrial, marine, air and space transport within the confines of shaft power N td = 0.01…10 kW. In this paper we propose a new approach to the development of surrogate models for evaluating the integrated efficiency of multistage ultra-low power impulse turbine with pressure stages. This method is based on the use of existing mathematical models of ultra-low power turbine stage efficiency and mass. It has been used in a method for selecting the rational parameters of two-stage axial ultra-low power turbine. The article describes the basic features of an algorithm for two-stage turbine parameters optimization and for efficiency criteria evaluating. Pledged mathematical models are intended for use at the preliminary design of turbine drive. The optimization method was tested at preliminary design of an air starter turbine. Validation was carried out by comparing the results of optimization calculations and numerical gas-dynamic simulation in the Ansys CFX package. The results indicate a sufficient accuracy of used surrogate models for axial two-stage turbine parameters selection

  5. Analysis of Riboflavin Compounds in the Rabbit Cornea In Vivo.

    Science.gov (United States)

    Hammer, Arthur; Rudaz, Serge; Guinchard, Sylvie; Kling, Sabine; Richoz, Olivier; Hafezi, Farhad

    2016-09-01

    To investigate the composition and concentration of individual riboflavin compounds in the corneal stroma in vivo after soaking with various commercially available riboflavin formulations. Experiments were performed in 26 rabbit corneas in vivo: 24 corneas were soaked with riboflavin formulations for 30 minutes or with 0.9% NaCl for control (n = 2). After treatment, corneas were excised and prepared for ultra-high-pressure liquid chromatography (UHPLC) analysis. Additionally, computational chemical analysis of riboflavin compounds and keratan sulfate were performed. The amount of riboflavin and riboflavin phosphate isomers in cornea decreased by a factor of 10 to 100, when compared to the amount in riboflavin formulations. In particular, we found an inverse relationship in the ratio of riboflavin to riboflavin phosphate isomer concentration between formulations and cornea. The electronegativity and ionization potential of riboflavin and phosphate isomers are different. The inverse relationship observed might be explained by a stronger electronegativity of the phosphate isomers, leading to a stronger repulsion by corneal proteoglycans. Indicating the individual concentration of riboflavin compounds in formulations is more representative than the total riboflavin concentration. Riboflavin formulations and CXL protocols might be improved considering the differences in diffusion and ionization potentials of the different riboflavin compounds.

  6. Pattern optimization of compound optical film for uniformity improvement in liquid-crystal displays

    Science.gov (United States)

    Huang, Bing-Le; Lin, Jin-tang; Ye, Yun; Xu, Sheng; Chen, En-guo; Guo, Tai-Liang

    2017-12-01

    The density dynamic adjustment algorithm (DDAA) is designed to efficiently promote the uniformity of the integrated backlight module (IBLM) by adjusting the microstructures' distribution on the compound optical film (COF), in which the COF is constructed in the SolidWorks and simulated in the TracePro. In order to demonstrate the universality of the proposed algorithm, the initial distribution is allocated by the Bezier curve instead of an empirical value. Simulation results maintains that the uniformity of the IBLM reaches over 90% only after four rounds. Moreover, the vertical and horizontal full width at half maximum of angular intensity are collimated to 24 deg and 14 deg, respectively. Compared with the current industry requirement, the IBLM has an 85% higher luminance uniformity of the emerging light, which demonstrate the feasibility and universality of the proposed algorithm.

  7. Highly Selective Bioconversion of Ginsenoside Rb1 to Compound K by the Mycelium of Cordyceps sinensis under Optimized Conditions

    Directory of Open Access Journals (Sweden)

    Wei-Nan Wang

    2015-10-01

    Full Text Available Compound K (CK, a highly active and bioavailable derivative obtained from protopanaxadiol ginsenosides, displays a wide variety of pharmacological properties, especially antitumor activity. However, the inadequacy of natural sources limits its application in the pharmaceutical industry. In this study, we firstly discovered that Cordyceps sinensis was a potent biocatalyst for the biotransformation of ginsenoside Rb1 into CK. After a series of investigations on the biotransformation parameters, an optimal composition of the biotransformation culture was found to be lactose, soybean powder and MgSO4 without controlling the pH. Also, an optimum temperature of 30 °C for the biotransformation process was suggested in a range of 25 °C–50 °C. Then, a biotransformation pathway of Rb1 → Rd → F2 → CK was established using high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS. Our results demonstrated that the molar bioconversion rate of Rb1 to CK was more than 82% and the purity of CK produced by C. sinensis under the optimized conditions was more than 91%. In conclusion, the combination of C. sinensis and the optimized conditions is applicable for the industrial preparation of CK for medicinal purposes.

  8. Optimization of extraction conditions of some polyphenolic compounds from parsley leaves (Petroselinum crispum).

    Science.gov (United States)

    Kuźma, Paula; Drużyńska, Beata; Obiedziński, Mieczysław

    2014-01-01

    Parsley leaf is a rich source of natural antioxidants, which serve a lot of functions in human body and prevent food from oxidation processes. The aim of the study was to investigate the influence of different extraction solvents and times of extraction on natural antioxidants content. Owing to the knowledge of the properties of extracted components and solvents, as well as their interactions, it is possible to achieve a high effectiveness of active compounds recovery. Three different extraction solvents (acetone 70% in water, methanol 80% in water and distilled water) and different times of extraction (30 and 60 minutes) were used to determine the efficiency of extraction of polyphenols and catechins, antioxidant activity against free radicals DPPH and ABTS and the ability to chelate ion Fe(2+) in dried parsley leaves. Other natural antioxidants contents in parsley leaves were also determined. In this study the best extraction solvent for polyphenols was acetone 70% and for catechins was distilled water. All extracts examined displayed the antioxidative activity, but water was the best solvent in the method of assaying the activity against ABTS(•+) and Fe(2+) ions chelating capability, whereas methanol turned out to be the least effective in this respect. Opposite results were observed in the case of determining the activity against DPPH(•). The prolongation of the extraction time enhanced or decreased antiradical activity in some cases. Additionally, important biologically active compounds in parsley leaves, such as vitamin C (248.31 mg/100 g dry matter), carotenoids (31.28 mg/100 g dry matter), chlorophyll (0.185 mg/g dry matter) were also analysed.

  9. Multivariate-parameter optimization of aroma compound release from carbohydrate-oil-protein model emulsions.

    Science.gov (United States)

    Samavati, Vahid; D-jomeh, Zahra Emam

    2013-11-06

    Optimization for retention and partition coefficient of ethyl acetate in emulsion model systems was investigated using response surface methodology in this paper. The effects of emulsion model ingredients, tragacanth gum (TG) (0.5-1 wt%), whey protein isolate (WPI) (2-4 wt%) and oleic acid (5-10%, v/v) on retention and partition coefficient of ethyl acetate were studied using a five-level three-factor central composite rotatable design (CCRD). Results showed that the regression models generated adequately explained the data variation and significantly represented the actual relationships between the independent and response parameters. The results showed that the highest retention (97.20±0.51%) and lowest partition coefficient (4.51±0.13%) of ethyl acetate were reached at the TG concentration 1 wt%, WPI concentration 4 wt% and oleic acid volume fraction 10% (v/v). Copyright © 2013 Elsevier Ltd. All rights reserved.

  10. Optimization of Extraction Parameters of Phenolic Compounds from Sarcopoterium spinosum Leaves by Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Ceren Sunguc

    2017-07-01

    Full Text Available The shrublands are very common in Urla-Çeşme-Karaburun peninsula located in the western point of Turkey. Prickly shrubby burnet (Sarcopoterium spinosum L. is one of the common weed which has intensive thorns making its consumption for the local domestic animals. However, Sarcopoterium spinosum is a valuable and common medicinal plant in the Mediterranean region. Crude extract of S. spinosum leaves exhibited higher antioxidant activity, as 3143.5± 238.5 µM TEAC (Trolox Equivalent Antioxidant Capacity/g dry weight (DW, when compared to other medicinal plants found in the literature. The aim of this study was to determine the effect of extraction parameters on the content and biological activity of the extract by response surface methodology (RSM as well as to identify its major compounds. High Performance Liquid Chromatography (HPLC was employed to investigate the phenolic content of S. spinosum extract. The composition of the phenolic contents including hyperoside and isoquercetin, the latter being the major component, in S. spinosum extract has been shown for the first time by HPLC. Antimicrobial activity of S. spinosum extract, identified by minimum inhibition concentration (MIC assay, indicated that the crude extract had antifungal activity against Candida albicans.

  11. Extraction optimization and pixel-based chemometric analysis of semi-volatile organic compounds in groundwater

    DEFF Research Database (Denmark)

    Christensen, Peter; Tomasi, Giorgio; Kristensen, Mette

    2017-01-01

    . In this study, we tested the combination of solid phase extraction (SPE) with dispersive liquid-liquid micro extraction (DLLME), or with stir bar sorptive extraction (SBSE), as an extraction method for semi-VOCs in groundwater. Combining SPE with DLLME or SBSE resulted in better separation of peaks...... in an unresolved complex mixture. SPE-DLLME was chosen as the preferred extraction method. SPE-DLLME covered a larger polarity range (logKo/w 2.0-11.2), had higher extraction efficiency at logKo/w 2.0-3.8 and 5.8-11.2, and was faster compared to SPE-SBSE. SPE-DLLME extraction combined with chemical analysis by gas...... chromatography-mass spectrometry (GC-MS) and pixel-based data analysis of summed extraction ion chromatograms (sEICs) was tested as a new method for chemical fingerprinting of semi-VOCs in 15 groundwater samples. The results demonstrate that SPE-DLLME-GC-MS provides an excellent compromise between compound...

  12. Optimizing sample pretreatment for compound-specific stable carbon isotopic analysis of amino sugars in marine sediment

    Science.gov (United States)

    Zhu, R.; Lin, Y.-S.; Lipp, J. S.; Meador, T. B.; Hinrichs, K.-U.

    2014-09-01

    Amino sugars are quantitatively significant constituents of soil and marine sediment, but their sources and turnover in environmental samples remain poorly understood. The stable carbon isotopic composition of amino sugars can provide information on the lifestyles of their source organisms and can be monitored during incubations with labeled substrates to estimate the turnover rates of microbial populations. However, until now, such investigation has been carried out only with soil samples, partly because of the much lower abundance of amino sugars in marine environments. We therefore optimized a procedure for compound-specific isotopic analysis of amino sugars in marine sediment, employing gas chromatography-isotope ratio mass spectrometry. The whole procedure consisted of hydrolysis, neutralization, enrichment, and derivatization of amino sugars. Except for the derivatization step, the protocol introduced negligible isotopic fractionation, and the minimum requirement of amino sugar for isotopic analysis was 20 ng, i.e., equivalent to ~8 ng of amino sugar carbon. Compound-specific stable carbon isotopic analysis of amino sugars obtained from marine sediment extracts indicated that glucosamine and galactosamine were mainly derived from organic detritus, whereas muramic acid showed isotopic imprints from indigenous bacterial activities. The δ13C analysis of amino sugars provides a valuable addition to the biomarker-based characterization of microbial metabolism in the deep marine biosphere, which so far has been lipid oriented and biased towards the detection of archaeal signals.

  13. Optimization of ultrasound-assisted extraction of phenolic compounds, antioxidants, and anthocyanins from grape (Vitis vinifera) seeds.

    Science.gov (United States)

    Ghafoor, Kashif; Choi, Yong Hee; Jeon, Ju Yeong; Jo, In Hee

    2009-06-10

    Important functional components from Campbell Early grape seed were extracted by ultrasound-assisted extraction (UAE) technology. The experiments were carried out according to a five level, three variable central composite rotatable design (CCRD). The best possible combinations of ethanol concentration, extraction temperature, and extraction time with the application of ultrasound were obtained for the maximum extraction of phenolic compounds, antioxidant activities, and anthocyanins from grape seed by using response surface methodology (RSM). Process variables had significant effect on the extraction of functional components with extraction time being highly significant for the extraction of phenolics and antioxidants. The optimal conditions obtained by RSM for UAE from grape seed include 53.15% ethanol, 56.03 degrees C temperature, and 29.03 min time for the maximum total phenolic compounds (5.44 mg GAE/100 mL); 53.06% ethanol, 60.65 degrees C temperature, and 30.58 min time for the maximum antioxidant activity (12.31 mg/mL); and 52.35% ethanol, 55.13 degrees C temperature, and 29.49 min time for the maximum total anthocyanins (2.28 mg/mL). Under the above-mentioned conditions, the experimental total phenolics were 5.41 mg GAE/100 mL, antioxidant activity was 12.28 mg/mL, and total anthocyanins were 2.29 mg/mL of the grape seed extract, which is well matched with the predicted values.

  14. Microwave-Assisted Extraction of Natural Antioxidants from the Exotic Gordonia axillaris Fruit: Optimization and Identification of Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Ya Li

    2017-09-01

    Full Text Available Our previous study reported that the fruit of Gordonia axillaris, an edible wild fruit, possessed strong antioxidant activity. In this study, a microwave-assisted extraction (MAE method was established to extract antioxidants from the fruit of Gordonia axillaris. The influence of five parameters, including ethanol concentration, solvent/material ratio, extraction time, extraction temperature and microwave power, was investigated by single-factor experiments. Three factors, namely ethanol concentration, solvent/material ratio, extraction time, were found to exert a major influence on extraction efficacy, and were further studied by response surface methodology to investigate their interactions. Ethanol concentration of 36.89%, solvent/material ratio of 29.56 mL/g, extraction time of 71.04 min, temperature of 40 °C, and microwave power of 400 W were found to be the optimal condition. The TEAC value was 198.16 ± 5.47 µmol Trolox/g DW under the optimal conditions, which was in conformity to the predicted value (200.28 µmol Trolox/g DW. In addition, the MAE method was compared with two conventional methods (Soxhlet extraction and maceration extraction. Results showed that the antioxidant capacity of the extract obtained by MAE method was stronger than that obtained by maceration (168.67 ± 3.88 µmol Trolox/g DW or Soxhlet extraction (114.09 ± 2.01 µmol Trolox/g DW. Finally, several phenolic compounds in the extract were identified and quantified by UPLC-MS/MS, which were rutin, gallic acid, protocatechuic acid, epicatechin, epicatechin gallate, 2-hydrocinnamic acid, p-coumaric acid, quercetin, chlorogenic acid and ferulic acid.

  15. Microwave-Assisted Extraction of Natural Antioxidants from the Exotic Gordonia axillaris Fruit: Optimization and Identification of Phenolic Compounds.

    Science.gov (United States)

    Li, Ya; Li, Sha; Lin, Sheng-Jun; Zhang, Jiao-Jiao; Zhao, Cai-Ning; Li, Hua-Bin

    2017-09-06

    Our previous study reported that the fruit of Gordonia axillaris , an edible wild fruit, possessed strong antioxidant activity. In this study, a microwave-assisted extraction (MAE) method was established to extract antioxidants from the fruit of Gordonia axillaris . The influence of five parameters, including ethanol concentration, solvent/material ratio, extraction time, extraction temperature and microwave power, was investigated by single-factor experiments. Three factors, namely ethanol concentration, solvent/material ratio, extraction time, were found to exert a major influence on extraction efficacy, and were further studied by response surface methodology to investigate their interactions. Ethanol concentration of 36.89%, solvent/material ratio of 29.56 mL/g, extraction time of 71.04 min, temperature of 40 °C, and microwave power of 400 W were found to be the optimal condition. The TEAC value was 198.16 ± 5.47 µmol Trolox/g DW under the optimal conditions, which was in conformity to the predicted value (200.28 µmol Trolox/g DW). In addition, the MAE method was compared with two conventional methods (Soxhlet extraction and maceration extraction). Results showed that the antioxidant capacity of the extract obtained by MAE method was stronger than that obtained by maceration (168.67 ± 3.88 µmol Trolox/g DW) or Soxhlet extraction (114.09 ± 2.01 µmol Trolox/g DW). Finally, several phenolic compounds in the extract were identified and quantified by UPLC-MS/MS, which were rutin, gallic acid, protocatechuic acid, epicatechin, epicatechin gallate, 2-hydrocinnamic acid, p -coumaric acid, quercetin, chlorogenic acid and ferulic acid.

  16. Optimization and validation of an existing, surgical and robust dry eye rat model for the evaluation of therapeutic compounds.

    Science.gov (United States)

    Joossen, Cedric; Lanckacker, Ellen; Zakaria, Nadia; Koppen, Carina; Joossens, Jurgen; Cools, Nathalie; De Meester, Ingrid; Lambeir, Anne-Marie; Delputte, Peter; Maes, Louis; Cos, Paul

    2016-05-01

    The aim of this research was to optimize and validate an animal model for dry eye, adopting clinically relevant evaluation parameters. Dry eye was induced in female Wistar rats by surgical removal of the exorbital lacrimal gland. The clinical manifestations of dry eye were evaluated by tear volume measurements, corneal fluorescein staining, cytokine measurements in tear fluid, MMP-9 mRNA expression and CD3(+) cell infiltration in the conjunctiva. The animal model was validated by treatment with Restasis(®) (4 weeks) and commercial dexamethasone eye drops (2 weeks). Removal of the exorbital lacrimal gland resulted in 50% decrease in tear volume and a gradual increase in corneal fluorescein staining. Elevated levels of TNF-α and IL-1α have been registered in tear fluid together with an increase in CD3(+) cells in the palpebral conjunctiva when compared to control animals. Additionally, an increase in MMP-9 mRNA expression was recorded in conjunctival tissue. Reference treatment with Restasis(®) and dexamethasone eye drops had a positive effect on all evaluation parameters, except on tear volume. This rat dry eye model was validated extensively and judged appropriate for the evaluation of novel compounds and therapeutic preparations for dry eye disease. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. HS-SPME optimization and extraction of volatile compounds from soursop (Annona muricata L. pulp with emphasis on their characteristic impact compounds

    Directory of Open Access Journals (Sweden)

    Karen Leticia de SANTANA

    Full Text Available Abstract Aroma and taste are decisive factors in the selection of any food. The aim of this study was to extract the volatile compounds present in soursop (Annona muricata L. pulp by Solid-phase microextraction (SPME technique using 3 different fibers (DVB/CAR/ PDMS, CAR/PDMS and PDMS/DVB. An experimental design was set up to evaluate the best extraction conditions wherein the variables were adsorption temperature, ionic strength and pulp concentration. The separation of volatiles was performed in chromatographic columns of different polarity (polar and non-polar while volatile compounds were identified by analysis in high resolution gas chromatography system coupled with mass spectrometry. The results obtained using 3 different fibers revealed the capture of about 40 compounds. The CAR/PDMS fiber was more efficient for the capture of esters and DVB/CAR/PDMS fiber for terpenes. The optimum conditions for capture of higher number of volatiles for polar column were 45 °C for extraction, 15% of ionic strength and 50% of pulp concentration which resulted in separation of 87 compounds. Among the principal character impact compounds from soursop are (E-2-hexenoate, methyl hexenoate and linalool.

  18. Systematic approach to optimize a pretreatment method for ultrasensitive liquid chromatography with tandem mass spectrometry analysis of multiple target compounds in biological samples.

    Science.gov (United States)

    Togashi, Kazutaka; Mutaguchi, Kuninori; Komuro, Setsuko; Kataoka, Makoto; Yamazaki, Hiroshi; Yamashita, Shinji

    2016-08-01

    In current approaches for new drug development, highly sensitive and robust analytical methods for the determination of test compounds in biological samples are essential. These analytical methods should be optimized for every target compound. However, for biological samples that contain multiple compounds as new drug candidates obtained by cassette dosing tests, it would be preferable to develop a single method that allows the determination of all compounds at once. This study aims to establish a systematic approach that enables a selection of the most appropriate pretreatment method for multiple target compounds without the use of their chemical information. We investigated the retention times of 27 known compounds under different mobile phase conditions and determined the required pretreatment of human plasma samples using several solid-phase and liquid-liquid extractions. From the relationship between retention time and recovery in a principal component analysis, appropriate pretreatments were categorized into several types. Based on the category, we have optimized a pretreatment method for the identification of three calcium channel blockers in human plasma. Plasma concentrations of these drugs in a cassette-dose clinical study at microdose level were successfully determined with a lower limit of quantitation of 0.2 pg/mL for diltiazem, 1 pg/mL for nicardipine, and 2 pg/mL for nifedipine. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Optimization of the HS-SPME-GC/MS technique for determining volatile compounds in red wines made from Isabel grapes (Vitis labrusca

    Directory of Open Access Journals (Sweden)

    Narciza Maria de Oliveira ARCANJO

    2015-01-01

    Full Text Available AbstractBrazilian wine production is characterized by Vitis labrusca grape varieties, especially the economically important Isabel cultivar, with over 80% of its production destined for table wine production. The objective of this study was to optimize and validate the conditions for extracting volatile compounds from wine with the solid-phase microextraction technique, using the response surface method. Based on the response surface analysis, it can be concluded that the central point values maximize the process of extracting volatile compounds from wine, i.e., an equilibrium time of 15 minutes, an extraction time of 35 minutes, and an extraction temperature of 30 °C. Esters were the most numerous compounds found under these extraction conditions, indicating that wines made from Isabel cultivar grapes are characterized by compounds that confer a fruity aroma; this finding corroborates the scientific literature.

  20. A biorefinery concept for simultaneous recovery of cellulosic ethanol and phenolic compounds from oil palm fronds: Process optimization

    International Nuclear Information System (INIS)

    Ofori-Boateng, Cynthia; Lee, Keat Teong; Saad, Bahruddin

    2014-01-01

    Highlights: • Biorefinery concept for simultaneous recovery of cellulose and phenolic compounds. • Sono-assisted organosolv/H 2 O 2 pretreatment was used to isolate palm fronds cellulose. • Optimum conditions for pretreatment: 60 °C, 40 min, 1:20 g/ml, 3% NaOH concentration. • Optimum conditions yielded 55.3% cellulose, 20.1 g/l glucose and 0.769 g/g ethanol. • Pretreatment liquor contained 4.691 mg GAE/g phenolics. - Abstract: In this study, process optimization of an ultrasonic-assisted organosolv/liquid oxidative pretreatment (SOP) of oil palm fronds (OPFs) for the simultaneous recovery of cellulose, bioethanol and biochemicals (i.e. phenolic compounds) in a biorefinery concept was carried out. The effects of time (30–60 min.), temperature (40–80 °C), NaOH concentration (1–5%) and sample:solvent ratio (1:10–1:50 g/ml) on cellulose content, bioethanol yield and total phenolics contents (TPC) after SOP were investigated. At optimum conditions of pretreatment (i.e. 60 °C, 40 min, 3% w/v aq. NaOH and 1:20 g/ml sample to solvent ratio), the recovered cellulose (55.30%) which served as substrate for enzymatic hydrolysis and subsequent fermentation yielded about 20.1 g/l glucose, 11.3 g/l xylose and 9.3 g/l bioethanol (yield of 0.769 g/g). The pretreatment liquor (mostly regarded as wastes) obtained at the optimum pretreatment conditions contained about 4.691 mg gallic acid equivalent (GAE)/g OPFs of TPC, 0.297 mg vanillic acid (VA)/g OPFs, 1.591 mg gallic acid (GA)/g OPFs and 0.331 mg quercetin (QU)/g OPFs. The pretreatment liquor was again analyzed to possess high antiradical scavenging activity (about 97.2%) compared to the synthetic antioxidant, 3,5-di-tert-butyl-4-hydroxytoluene (BHT) (80.7%) at 100 ppm. Thus one sustainable way of managing wastes in biorefinery is the recovery of multi-bioproducts (e.g. bioethanol and biochemicals) during the pretreatment process

  1. Development and optimization of methods for the radiofluorination of aromatic compounds with specific, high fluorine-18 activity

    International Nuclear Information System (INIS)

    Franken, K.

    1987-06-01

    The positron emitter fluorine-18 (T 1/2 = 110 min) is an ideal radionuclide for analogue tracers in positron emission tomography (PET). In this study the production of the electrophilic species [ 18 F]-F 2 , [ 18 F]-CH 3 CO 2 F and to some extent [ 18 F]-XeF 2 has been optimized with respect to yield and specific activity. Selectivity and reactivity of these species have been studied in simple aromatic model compounds. Fluorine was produced via the 20 Ne(d,α) 18 F reaction. The effect of target material, dimensions, amount of carrier (F 2 ), pressure, beam current and irradiation time was studied. Reactivity of [ 18 F]-F 2 and [ 18 F]-CH 3 CO 2 F with respect to hydrogen subsitution was systematically studied in a series of benzene derivatives (C 6 H 5 X, X = CF 3 , I, Br, CL, F, H, CH 3 , OCH 3 , OH) in various solvents (CHCl 3 , CFCl 3 , CH 3 CN, CH 3 OH, CF 3 COOH). The radiochemical yield of 18 F-for-H-substitution in the aromatic ring increased with increasing acceptor number (AN) of the solvent. The electrophilic nature of both fluorination agents was confirmed by a Hammett plot. As expected, [ 18 F]-CH 3 CO 2 F showed a higher selectivity than [ 18 F]-F 2 . Direct radiofluorination with [ 18 F]-F 2 and [ 18 F]-CH 3 CO 2 F was successfully applied to the biomolecules phenylalanine, tyrosine and DOPA. As potential methods for no-carrier-added (n.c.a.) radiofluorination some less common dediazoniation reactions were also studied. (orig./RB) [de

  2. Simultaneous optimization of the ultrasound-assisted extraction for phenolic compounds content and antioxidant activity of Lycium ruthenicum Murr. fruit using response surface methodology.

    Science.gov (United States)

    Chen, Shasha; Zeng, Zhi; Hu, Na; Bai, Bo; Wang, Honglun; Suo, Yourui

    2018-03-01

    Lycium ruthenicum Murr. (LR) is a functional food that plays an important role in anti-oxidation due to its high level of phenolic compounds. This study aims to optimize ultrasound-assisted extraction (UAE) of phenolic compounds and antioxidant activities of obtained extracts from LR using response surface methodology (RSM). A four-factor-three-level Box-Behnken design (BBD) was employed to discuss the following extracting parameters: extraction time (X 1 ), ultrasonic power (X 2 ), solvent to sample ratio (X 3 ) and solvent concentration (X 4 ). The analysis of variance (ANOVA) results revealed that the solvent to sample ratio had a significant influence on all responses, while the extraction time had no statistically significant effect on phenolic compounds. The optimum values of the combination of phenolic compounds and antioxidant activities were obtained for X 1 =30min, X 2 =100W, X 3 =40mL/g, and X 4 =33% (v/v). Five phenolic acids, including chlorogenic acid, caffeic acid, syringic acid, p-coumaric acid and ferulic acid, were analyzed by HPLC. Our results indicated that optimization extraction is vital for the quantification of phenolic compounds and antioxidant activity in LR, which may be contributed to large-scale industrial applications and future pharmacological activities research. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Volatile compounds and phenolic composition of virgin olive oil: optimization of temperature and time of exposure of olive pastes to air contact during the mechanical extraction process.

    Science.gov (United States)

    Servili, Maurizio; Selvaggini, Roberto; Taticchi, Agnese; Esposto, Sonia; Montedoro, GianFrancesco

    2003-12-31

    The operative conditions of malaxation such as temperature and time of exposure of olive pastes to air contact (TEOPAC) affect volatile and phenolic composition of virgin olive oil (VOO) and, as a consequence, its sensory and healthy qualities. In this paper, optimal temperature and TEOPAC during malaxation were studied, in lab scale, in two Italian cultivars using phenolic compounds, volatile composition, and sensory analysis of VOO as markers. The optimal temperature and TEOPAC, selected by response surface modeling,were cultivar-dependent being 30 min of TEOPAC at the lowest temperature investigated (22 degrees C) and 0 min of TEOPAC at 26 degrees C for Frantoio and Moraiolo cultivars, respectively.

  4. Optimization of the HS-SPME-GC/MS technique for the analysis of volatile compounds in caprine Coalho cheese using response surface methodology

    Directory of Open Access Journals (Sweden)

    Taliana Kênia Alves BEZERRA

    2016-03-01

    Full Text Available Abstract Caprine Coalho cheese presents great potential for a typical protected designation of origin, considering that this traditional Brazilian cheese presents a slightly salty and acid flavor, combined with a unique texture. This study optimized the HS-SPME-GC-MS methodology for volatile analysis of Coalho cheese, which can be used as a tool to help in the identification of the distinctive aroma profile of this cheese. The conditions of equilibrium time, extraction temperature and time were optimized using the statistical tool factorial experimental design 23, and applying the desirability function. After the evaluation, it was concluded that the optimum extraction conditions comprised equilibrium and extraction time of 20 and 40 minutes, respectively; and ideal extraction temperature of 45 °C. The optimum extraction of volatile compounds in goat Coalho cheese captured 32 volatile compounds: 5 alcohols, 5 esters, 3 ketones, 6 acids, 3 aldehydes, 3 terpenes, and 7 hydrocarbons.

  5. [Separation of gamma linolenic acid from evening primrose oil with urea inclusion--orthogonal experiment of optimizing technological parameters and observation of urea inclusion compound I].

    Science.gov (United States)

    Wang, Hua; Ling, Man; Xue, Gang; Liu, Fengxia; Guo, Shuxian

    2010-05-01

    The influence on the urea inclusion compound under different conditions (allocated proportion, time of inclusion, temperature of inclusion) were studied through the orthogonal test, and theoretical reference of urea inclusion process for further optimization wound be offered. The orthogonal experiment was adopted, and microscope was used to observe the shape, aperture size of the urea inclusion compound under different technological parameters, the GC was employed to inspect the purity of GLA. The results indicated that the ratio of fatty acids and urea, inclusion of temperature, time of inclusion had great effect on urea inclusion compound. The three factors and its interactions significantly affected the purity of GLA. The results also showed that the best process was that the ratio of fatty acids and urea was 1 : 3, temperature of inclusion was--15 degrees C, time of inclusion was 24 h. Under the best condition, the purity of GLA reach up to 95.575 9%; and it is feasible to observe the shape and the amount of the urea inclusion compound to reflect and guide the urea inclusion technology.

  6. Inclusion Compound Based Approach to Forming Arrays of Artificial Dipolar Molecular Rotors: A Search for Optimal Rotor Structures

    Czech Academy of Sciences Publication Activity Database

    Kobr, L.; Zhao, K.; Shen, X.; Shoemaker, R. K.; Rogers, C. T.; Michl, Josef

    2013-01-01

    Roč. 25, č. 3 (2013), s. 443-448 ISSN 0935-9648 EU Projects: European Commission(XE) 227756 - DIPOLAR ROTOR ARRAY Grant - others:NSF(US) CHE 0848663 Institutional support: RVO:61388963 Keywords : inclusion compounds * molecular rotors * ferroelectricity * two-dimensional arrays Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 15.409, year: 2013

  7. Modeling of volatile and phenolic compounds and optimization of the process conditions for obtaining balanced extra virgin olive oils

    Directory of Open Access Journals (Sweden)

    A. M. Vidal

    2018-06-01

    Full Text Available The main objective of this paper is to obtain extra virgin olive oils (EVOOs which are balanced in volatile and phenolic compounds. An experimental design was performed and response surface methodology was applied. The factors for malaxation were: temperature 20-40 °C, time 30-90 min, and hole diameter of hammer-crusher 4.5-6.5 mm. The results show that high temperatures and small hole diameter must be used in order to obtain a higher content in phenolic compounds, while for volatile compounds a low temperature and large hole diameter must be used. The models predict that the best and more balanced EVOO are obtained with the hole diameter of greater size and a medium-low temperature. Thus, for a hammer-crusher hole diameter of 6.5 mm 337 and 356 mg/kg total HPLC phenols were obtained for malaxation temperature of 20 and 25 °C, respectively and, likewise, 12.7 and 11.5 mg/kg total LOX volatiles.

  8. Optimized Syntheses of Cyclopentadienyl Nickel Chloride Compounds Containing "N"-Heterocyclic Carbene Ligands for Short Laboratory Periods

    Science.gov (United States)

    Cooke, Jason; Lightbody, Owen C.

    2011-01-01

    Experiments are described for the preparation of imidazolium chloride precursors to "N"-heterocyclic carbenes and their cyclopentadienyl nickel chloride derivatives. The syntheses have been optimized for second- and third-year undergraduate laboratories that have a maximum programmed length of three hours per week. The experiments are flexible and…

  9. Improved in-tube electro-membrane extraction followed by high-performance liquid chromatography for simple and selective determination of ionic compounds: Optimization by central composite design.

    Science.gov (United States)

    Bazregar, Mohammad; Rajabi, Maryam; Yamini, Yadollah; Asghari, Alireza

    2017-07-01

    In this work, an efficient sample clean-up method, named in-tube electro-membrane extraction, is modified to resolve the formation of bubbles in the extraction process. This modified method is applied for the extraction of two model analytes including tartrazine and sunset yellow from food samples. The method is based on the electro-kinetic migration of ionized compounds by the application of an electrical potential difference, and on this basis the analytes under investigation, as anionic compounds, simply migrate from the donor phase and concentrate in the acceptor phase. A thin polypropylene sheet placed in the tube acts as a support for the membrane solvent, and it separates 30 μL of the aqueous acceptor from 1.2 mL of the aqueous donor. This setup can be used to solve the problem of extracting highly hydrophilic analytes. Response surface methodology is used for optimization of the experimental parameters so that under the optimized conditions, the method provides a good linearity in the range of 50-1000 ng/mL, low limits of detection (15-25 ng/mL), good extraction repeatabilities (relative standard deviations below 8.1%, n = 5), and high extraction recoveries (54-76%). © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. The optimization of phenolic compounds extraction from cactus pear (Opuntia ficus-indica) skin in a reflux system using response surface methodology.

    Science.gov (United States)

    Jorge, Aguirre Joya; Heliodoro, De La Garza Toledo; Alejandro, Zugasti Cruz; Ruth, Belmares Cerda; Noé, Aguilar Cristóbal

    2013-06-01

    To extract, quantify, and evaluate the phenolic content in Opuntia ficus-indica skin for their antioxidant capacity with three different methods (ABTS, DPPH, and lipid oxidation) and to optimize the extraction conditions (time, temperature and ethanol concentration) in a reflux system. The extraction process was done using a reflux system. A San Cristobal II experimental design with three variables and three levels was used. The variables evaluated were time of extraction (h), concentration of ethanol (%, v/v) and temperature (°C). The extraction process was optimized using a response surface methodology. It was observed that at higher temperature more phenolic compounds were extracted, but the antioxidant capacity was decreased. The optimum conditions for phenolic compounds extraction and antioxidant capacity mixing the three methods were as follows: 45% of ethanol, 80 °C and 2 hours of extraction. Values obtained in our results are little higher that other previously reported. It can be concluded the by-products of Opuntia ficus-indica represent a good source of natural antioxidants with possible applications in food, cosmetics or drugs industries.

  11. Optimized conditions for MDCK permeability and turbidimetric solubility studies using compounds representative of BCS classes I-IV.

    Science.gov (United States)

    Taub, Mitchell E; Kristensen, Lisbeth; Frokjaer, Sven

    2002-05-01

    The solubility enhancing effects of various excipients, including their compatibility with in vitro permeability (P(app)) systems, was investigated using drugs representative of Biopharmaceutics Classification System (BCS) classes I-IV. Turbidimetric solubility determination using nephelometry and transport experiments using MDCK Strain I cell monolayers were employed. The highest usable concentration of each excipient [dimethyl sulfoxide (DMSO), ethanol, hydroxypropyl-beta-cyclodextrin (HPCD), and sodium taurocholate] was determined by monitoring apical (AP) to basolateral (BL) [14C]mannitol apparent permeability (P(app)) and the transepithelial electrical resistance (TEER) in transport experiments done at pH 6.0 and 7.4. The excipients were used in conjunction with compounds demonstrating relatively low aqueous solubility (amphotericin B, danazol, mefenamic acid, and phenytoin) in order to obtain a drug concentration >50 microM in the donor compartment. The addition of at least one of the selected excipients enhanced the solubility of the inherently poorly soluble compounds to >50 microM as determined via turbidimetric evaluation at pH 6.0 and 7.4. Ethanol and DMSO were found to be generally disruptive to the MDCK monolayer and were not nearly as useful as HPCD and sodium taurocholate. Sodium taurocholate (5 mM) was compatible with MDCK monolayers under all conditions investigated. Additionally, a novel in vitro system aimed at more accurately simulating in vivo conditions, i.e., a pH gradient (6.0 AP/7.4 BL), sodium taurocholate (5 mM, AP), and bovine serum albumin (0.25%, BL), was shown to generate more reliable P(app) values for compounds that are poorly soluble and/or highly protein bound.

  12. Mixture design and Doehlert matrix for the optimization of the extraction of Phenolic Compounds from Spondias mombin L Apple Bagasse Agro-industrial Residues

    Science.gov (United States)

    Santos Felix, Antonio C.; Novaes, Cleber G.; Pires Rocha, Maísla; Barreto, George E.; do Nascimento, Baraquizio B.; Giraldez Alvarez, Lisandro D.

    2017-12-01

    In this study, we have determined, using RSM (mixture design and Doehlert matrix), the optimum values of the independent variables to achieve the maximum response for the extraction of total phenolic compounds from Spondias mombin L bagasse agroindustrial residues, preserving its antioxidant activity. The assessment with reference to the extraction of phenolic compounds, as well as their capacity to scavenge ABTS and the antioxidant capacity, determined by the modified DPPH method were investigated based on distinct combinations of time, temperature, velocity of rotation and solvents concentration. It was investigated that the optimum condition for the highest antioxidant yield was obtained using water (60.84%), acetone (30.31%) and ethanol (8.85%) at 30 ºC during 20 min at 50 rpm. We have found that the maximum yield of total phenolics was 355.63 ± 9.77 (mg GAE/100 g), showing an EC50 of 3962.24 ± 41.20 (g fruit/g of DPPH) and 8.36 ± 0.30 (µM trolox/g fruit), which were measured using DPPH and ABTS assays. These results suggest that RSM was successfully applied for optimizing the extraction of phenolics compounds preserving its antioxidant activity. This method does not require expensive reagents or high quantities of organic solvents.

  13. Optimization of Ultrasonic-Assisted Extraction of Flavonoid Compounds and Antioxidants from Alfalfa Using Response Surface Method

    Directory of Open Access Journals (Sweden)

    Chang-Liang Jing

    2015-08-01

    Full Text Available Ultrasonic-assisted extraction (UAE was used to extract flavonoid-enriched antioxidants from alfalfa aerial part. Response surface methodology (RSM, based on a four-factor, five-level central composite design (CCD, was employed to obtain the optimal extraction parameters, in which the flavonoid content was maximum and the antioxidant activity of the extracts was strongest. Radical scavenging capacity of the extracts, which represents the amounts of antioxidants in alfalfa, was determined by using 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulphonicacid (ABTS and 2,2′-diphenyl-1-picrylhydrazyl (DPPH methods. The results showed good fit with the proposed models for the total flavonoid extraction (R2 = 0.9849, for the antioxidant extraction assayed by ABTS method (R2 = 0.9764, and by DPPH method (R2 = 0.9806. Optimized extraction conditions for total flavonoids was a ratio of liquid to solid of 57.16 mL/g, 62.33 °C, 57.08 min, and 52.14% ethanol. The optimal extraction parameters of extracts for the highest antioxidant activity by DPPH method was a ratio of liquid to solid 60.3 mL/g, 54.56 °C, 45.59 min, and 46.67% ethanol, and by ABTS assay was a ratio of liquid to solid 47.29 mL/g, 63.73 °C, 51.62 min, and 60% ethanol concentration. Our work offers optimal extraction conditions for total flavonoids and antioxidants from alfalfa.

  14. Optimization of Ultrasonic-Assisted Extraction of Flavonoid Compounds and Antioxidants from Alfalfa Using Response Surface Method.

    Science.gov (United States)

    Jing, Chang-Liang; Dong, Xiao-Fang; Tong, Jian-Ming

    2015-08-26

    Ultrasonic-assisted extraction (UAE) was used to extract flavonoid-enriched antioxidants from alfalfa aerial part. Response surface methodology (RSM), based on a four-factor, five-level central composite design (CCD), was employed to obtain the optimal extraction parameters, in which the flavonoid content was maximum and the antioxidant activity of the extracts was strongest. Radical scavenging capacity of the extracts, which represents the amounts of antioxidants in alfalfa, was determined by using 2,2'-azino-bis (3-ethylbenzothiazoline-6-sulphonicacid) (ABTS) and 2,2'-diphenyl-1-picrylhydrazyl (DPPH) methods. The results showed good fit with the proposed models for the total flavonoid extraction (R² = 0.9849), for the antioxidant extraction assayed by ABTS method (R² = 0.9764), and by DPPH method (R² = 0.9806). Optimized extraction conditions for total flavonoids was a ratio of liquid to solid of 57.16 mL/g, 62.33 °C, 57.08 min, and 52.14% ethanol. The optimal extraction parameters of extracts for the highest antioxidant activity by DPPH method was a ratio of liquid to solid 60.3 mL/g, 54.56 °C, 45.59 min, and 46.67% ethanol, and by ABTS assay was a ratio of liquid to solid 47.29 mL/g, 63.73 °C, 51.62 min, and 60% ethanol concentration. Our work offers optimal extraction conditions for total flavonoids and antioxidants from alfalfa.

  15. Optimization of ultrasound-assisted extraction of phenolic compounds, antioxidants and rosmarinic acid from perilla leaves using response surface methodology

    Directory of Open Access Journals (Sweden)

    Hui-Zhen LI

    Full Text Available Abstract Response surface methodology (RSM was used to optimize ultrasound-assisted extraction (UAE of functional components from perilla leaves. The factors investigated were ethanol concentration, extraction temperature, and extraction time. The results revealed that ethanol concentration had significant effects on all extraction parameters. Based on the RSM results, the optimal conditions were an ethanol concentration of 56%, a UAE temperature of 54 °C, and a UAE time of 55 min. Under these conditions, the experimental TPC (total phenolic content, RA (rosmarinic acid, FRAP (ferric reducing antioxidant power and DPPH (1,1-diphenyl-2-picrylhydrazyl values were 48.85 mg GAE/g DW (mg gallic acid equivalent /g of dry weight, 31.02 mg/g DW, 85.55 μmol Fe2+/g DW and 73.35%, respectively. The experimental values were in agreement with those predicted by RSM models, confirming suitability of the model employed and the success of RSM for optimization of the extraction conditions.

  16. Optimization of a Culture Medium Using the Taguchi Approach for the Production of Microorganisms Active in Odorous Compound Removal

    Directory of Open Access Journals (Sweden)

    Krzysztof Makowski

    2017-07-01

    Full Text Available The aim of this work was to develop the composition of a medium for the cultivation of six microbial strains forming a deodorizing consortium: Pseudomonas fluorescens, Enterococcus faecium, Bacillus subtilis, Bacillus megaterium, Leuconostoc mesenteroides and Lactobacillus plantarum. The study focused on the optimization of a highly efficient culture medium composed of readily available components of plant origin to maximize microbial biomass yields, and to create a less expensive alternative to the commercial Tryptic Soy Broth medium (TSB. After preliminary efficiency screening of all tested media components, we selected four substrates for further optimization—soy protein concentrate (SPC, glucose or sucrose, and phosphate salts. The final concentrations of all components were fine-tuned using the Taguchi design for experiments according to an L9 array. Taguchi optimization led to formulation of a culture medium, which was approximately 5 times cheaper than TSB (depending on the components used. Consequently, microbial biomass yields were improved by up to 15-fold (1564%, depending on the strain. The results obtained in the laboratory experiments were then confirmed in pilot- (42 L and industrial- (300 L scale fermentation. Our results show that this method of using a parallel culture microbioreactor with the Taguchi approach can be recommended for optimization of culture media based on substrates of plant origin.

  17. Optimization of ultrasound-assisted aqueous two-phase system extraction of polyphenolic compounds from Aronia melanocarpa pomace by response surface methodology.

    Science.gov (United States)

    Xu, Yan-Yang; Qiu, Yang; Ren, Hui; Ju, Dong-Hu; Jia, Hong-Lei

    2017-03-16

    Aronia melanocarpa berries are abundant in polyphenolic compounds. After juice production, the pomace of pressed berries still contains a substantial amount of polyphenolic compounds. For efficient utilization of A. melanocarpa berries and the enhancement of polyphenolic compound yields in Aronia melanocarpa pomace (AMP), total phenolics (TP) and total flavonoids (TF) from AMP were extracted, using ultrasound-assisted aqueous two-phase system (UAE-ATPS) extraction method. First, the influences of ammonium sulfate concentration, ethanol-water ratio, ultrasonic time, and ultrasonic power on TP and TF yields were investigated. On this basis, process variables such as ammonium sulfate concentration (0.30-0.35 g mL -1 ), ethanol-water ratio (0.6-0.8), ultrasonic time (40-60 min), and ultrasonic power (175-225 W) were further optimized by implementing Box-Benhnken design with response surface methodology. The experimental results showed that optimal extraction conditions of TP from AMP were as follows: ammonium sulfate concentration of 0.324 g mL -1 , ethanol-water ratio of 0.69, ultrasonic time of 52 min, and ultrasonic power of 200 W. Meanwhile, ammonium sulfate concentration of 0.320 g mL -1 , ethanol-water ratio of 0.71, ultrasonic time of 50 min, and ultrasonic power of 200 W were determined as optimum extraction conditions of TF in AMP. Experimental validation was performed, where TP and TF yields reached 68.15 ± 1.04 and 11.67 ± 0.63 mg g -1 , respectively. Close agreement was found between experimental and predicted values. Overall, the present results demonstrated that ultrasound-assisted aqueous two-phase system extraction method was successfully used to extract total phenolics and flavonoids in A. melanocarpa pomace.

  18. Quantification of antidepressants and antipsychotics in human serum by precipitation and ultra high pressure liquid chromatography-tandem mass spectrometry

    DEFF Research Database (Denmark)

    Hasselstrøm, Jørgen Bo

    2011-01-01

    The present article describes the quantification of mirtazapine, O-desmethylvenlafaxine, quetiapine, venlafaxine, and ziprasidone (group 1), and amitriptyline, citalopram, clomipramine, clozapine, desmethylclomipramine, desipramine, imipramine, and nortriptyline (group 2) in human serum for thera......The present article describes the quantification of mirtazapine, O-desmethylvenlafaxine, quetiapine, venlafaxine, and ziprasidone (group 1), and amitriptyline, citalopram, clomipramine, clozapine, desmethylclomipramine, desipramine, imipramine, and nortriptyline (group 2) in human serum...

  19. The LICPA-driven collider - A novel efficient tool for the production of ultra-high pressures in condensed media

    Czech Academy of Sciences Publication Activity Database

    Badziak, J.; Krouský, Eduard; Kucharik, M.; Liska, R.

    2016-01-01

    Roč. 11, č. 3 (2016), s. 1-13, č. článku C03043. ISSN 1748-0221 EU Projects: European Commission(XE) 284464 - LASERLAB-EUROPE Institutional support: RVO:68378271 Keywords : laser-produced plasma * plasma diagnostics - inter-ferometry * spectroscopy and imaging Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.220, year: 2016

  20. Importance of two-dimensional effects for the generation of ultra high pressures obtained in laser colliding foil experiments

    Energy Technology Data Exchange (ETDEWEB)

    Faral, B.; Fabbro, R. (Laboratoire d' Utilisation des Lasers Intenses, Ecole Polytechnique, 91128 Palaiseau Cedex, (France)); Virmont, J. (Laboratoire de Physique des Milieux Ionises, Ecole Polytechnique, 91128 Palaiseau Cedex, (France)); Cottet, F.; Romain, J.P. (Laboratoire d' Energetique et de Detonique, Ecole Nationale Superieure de Mecanique et d' Aerotechnique, 86034 Poitiers, (France)); Pepin, H. (Institut National de la Recherche Scientifique Energie, Montreal, (Canada))

    1990-02-01

    A 12 {mu}m polyester foil is accelerated by a 0.26 {mu}m wavelength laser and collides with a 15 {mu}m thick molybdenum foil. The accelerating pressure is 45 Mbar (laser intensity{approx}3-- 4{times}10{sup 14} W/cm{sup 2}) and gives to the polyester foil a velocity of about 160 km/sec. The measurement of the shock pressure induced in the impacted foil is made with an improved step technique. When the initial spacing between the two foils is too large compared to the focal spot radius, i.e., larger than 20--30 {mu}m, the different experimental results cannot be reproduced with one-dimensional simulations; this is only possible by using a two-dimensional Lagrangian code that has been developed and that takes into account the strong deformation of the accelerated foil. Finally, even with the low level of x-ray heating due to the ablation plasma, multihundred megabar pressures can be obtained within a very short time.

  1. Importance of two-dimensional effects for the generation of ultra high pressures obtained in laser colliding foil experiments

    International Nuclear Information System (INIS)

    Faral, B.; Fabbro, R.; Virmont, J.; Cottet, F.; Romain, J.P.; Pepin, H.

    1990-01-01

    A 12 μm polyester foil is accelerated by a 0.26 μm wavelength laser and collides with a 15 μm thick molybdenum foil. The accelerating pressure is 45 Mbar (laser intensity∼3-- 4x10 14 W/cm 2 ) and gives to the polyester foil a velocity of about 160 km/sec. The measurement of the shock pressure induced in the impacted foil is made with an improved step technique. When the initial spacing between the two foils is too large compared to the focal spot radius, i.e., larger than 20--30 μm, the different experimental results cannot be reproduced with one-dimensional simulations; this is only possible by using a two-dimensional Lagrangian code that has been developed and that takes into account the strong deformation of the accelerated foil. Finally, even with the low level of x-ray heating due to the ablation plasma, multihundred megabar pressures can be obtained within a very short time

  2. Influence of pressure and temperature on molar volume and retention properties of peptides in ultra-high pressure liquid chromatography.

    Science.gov (United States)

    Fekete, Szabolcs; Horváth, Krisztián; Guillarme, Davy

    2013-10-11

    In this study, pressure induced changes in retention were measured for model peptides possessing molecular weights between ∼1 and ∼4kDa. The goal of the present work was to evaluate if such changes were only attributed to the variation of molar volume and if they could be estimated prior to the experiments, using theoretical models. Restrictor tubing was employed to generate pressures up to 1000bar and experiments were conducted for mobile phase temperatures comprised between 30 and 80°C. As expected, the retention increases significantly with pressure, up to 200% for glucagon at around 1000bar compared to ∼100bar. The obtained data were fitted with a theoretical model and the determination coefficients were excellent (r(2)>0.9992) for the peptides at various temperatures. On the other hand, the pressure induced change in retention was found to be temperature dependent and was more pronounced at 30°C vs. 60 or 80°C. Finally, using the proposed model, it was possible to easily estimate the pressure induced increase in retention for any peptide and mobile phase temperature. This allows to easily estimating the expected change in retention, when increasing the column length under UHPLC conditions. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Pure-iron/iron-based-alloy hybrid soft magnetic powder cores compacted at ultra-high pressure

    Science.gov (United States)

    Saito, Tatsuya; Tsuruta, Hijiri; Watanabe, Asako; Ishimine, Tomoyuki; Ueno, Tomoyuki

    2018-04-01

    We developed Fe/FeSiAl soft magnetic powder cores (SMCs) for realizing the miniaturization and high efficiency of an electromagnetic conversion coil in the high-frequency range (˜20 kHz). We found that Fe/FeSiAl SMCs can be formed with a higher density under higher compaction pressure than pure-iron SMCs. These SMCs delivered a saturation magnetic flux density of 1.7 T and iron loss (W1/20k) of 158 kW/m3. The proposed SMCs exhibited similar excellent characteristics even in block shapes, which are closer to the product shapes.

  4. Pure-iron/iron-based-alloy hybrid soft magnetic powder cores compacted at ultra-high pressure

    Directory of Open Access Journals (Sweden)

    Tatsuya Saito

    2018-04-01

    Full Text Available We developed Fe/FeSiAl soft magnetic powder cores (SMCs for realizing the miniaturization and high efficiency of an electromagnetic conversion coil in the high-frequency range (∼20 kHz. We found that Fe/FeSiAl SMCs can be formed with a higher density under higher compaction pressure than pure-iron SMCs. These SMCs delivered a saturation magnetic flux density of 1.7 T and iron loss (W1/20k of 158 kW/m3. The proposed SMCs exhibited similar excellent characteristics even in block shapes, which are closer to the product shapes.

  5. Optimization of the Analytical Method Using HPLC with Fluorescence Detection to Determine Selected Polycyclic Aromatic Compounds in Clean Water Samples

    International Nuclear Information System (INIS)

    Garcia Alonso, S.; Perez Pastor, R. M.

    2013-01-01

    A study on the comparison and evaluation of 3 miniaturized extraction methods for the determination of selected PACs in clear waters is presented. Three types of liquid-liquid extraction were used for chromatographic analysis by HPLC with fluorescence detection. The main objective was the optimization and development of simple, rapid and low cost methods, minimizing the use of extracting solvent volume. The work also includes a study on the scope of the methods developed at low and high levels of concentration and intermediate precision. (Author)

  6. Optimization and Application of a GC-MS Method for the Determination of Endocrine Disruptor Compounds in Natural Water

    Directory of Open Access Journals (Sweden)

    José Gustavo Ronderos-Lara

    2018-06-01

    Full Text Available Bisphenol A (BPA, 4-nonylphenol (4NP, estradiol (E2, and ethinylestradiol (EE2 are considered as endocrine disruptors or mutagens. These compounds are commonly called endocrine disrupter chemicals (EDCs. BPA and 4NP are widely used as plastic additives, lacquers, resins, or surfactants, while E2 is one of the predominant female sex hormones during the reproductive years, and EE2 is an estrogen derived from estradiol, used in the production of contraceptive pills. All of these can be usually found in wastewater. In Mexico, it is common for water from rivers, lakes, and canyons to be reused for different purposes. Unfortunately, there is little information on the concentration of many of the pollutants present in such bodies of water. To determine the presence of these compounds in samples of wastewater in the Apatlaco River, an accurate and reproducible method was developed by coupling gas chromatography to mass spectrometry (GC-MS. A solid-phase extraction with Chromabond RP-18 cartridges was carried out, and the elution was performed with an acetone/methanol mixture. After isolation, the solvent was removed and a silylation step was carried out using N,O-bis(trimethylsilyltrifluoroacetamide (BSTFA. Recoveries for spiked samples were between 71.8% and 111.0%. The instrumental limits of detection (IDL ranged between 24.7 and 37.0 ng mL−1. In total, 16 samples were taken in 2015 at the microbasin of the Apatlaco River, located in the state of Morelos. The maximum concentrations found were 4NP (85.5 ng mL−1, BPA (174.6 ng mL−1, E2 103.6 (ng mL−1, and EE2 (624.3 ng mL−1.

  7. Lattice Gas Model Based Optimization of Plasma-Surface Processes for GaN-Based Compound Growth

    Science.gov (United States)

    Nonokawa, Kiyohide; Suzuki, Takuma; Kitamori, Kazutaka; Sawada, Takayuki

    2001-10-01

    Progress of the epitaxial growth technique for GaN-based compounds makes these materials attractive for applications in high temperature/high-power electronic devices as well as in short-wavelength optoelectronic devices. For MBE growth of GaN epilayer, atomic nitrogen is usually supplied from ECR-plasma while atomic Ga is supplied from conventional K-cell. To grow high-quality epilayer, fundamental knowledge of the detailed atomic process, such as adsorption, surface migration, incorporation, desorption and so forth, is required. We have studied the influence of growth conditions on the flatness of the growth front surface and the growth rate using Monte Carlo simulation based on the lattice gas model. Under the fixed Ga flux condition, the lower the nitrogen flux and/or the higher the growth temperature, the better the flatness of the front surface at the sacrifice of the growth rate of the epilayer. When the nitrogen flux is increased, the growth rate reaches saturation value determined from the Ga flux. At a fixed growth temperature, increasing of nitrogen to Ga flux ratio results in rough surface owing to 3-dimensional island formation. Other characteristics of MBE-GaN growth using ECR-plasma can be well reproduced.

  8. Optimized Solid Phase-Assisted Synthesis of Dendrons Applicable as Scaffolds for Radiolabeled Bioactive Multivalent Compounds Intended for Molecular Imaging

    Directory of Open Access Journals (Sweden)

    Gabriel Fischer

    2014-05-01

    Full Text Available Dendritic structures, being highly homogeneous and symmetric, represent ideal scaffolds for the multimerization of bioactive molecules and thus enable the synthesis of compounds of high valency which are e.g., applicable in radiolabeled form as multivalent radiotracers for in vivo imaging. As the commonly applied solution phase synthesis of dendritic scaffolds is cumbersome and time-consuming, a synthesis strategy was developed that allows for the efficient assembly of acid amide bond-based highly modular dendrons on solid support via standard Fmoc solid phase peptide synthesis protocols. The obtained dendritic structures comprised up to 16 maleimide functionalities and were derivatized on solid support with the chelating agent DOTA. The functionalized dendrons furthermore could be efficiently reacted with structurally variable model thiol-bearing bioactive molecules via click chemistry and finally radiolabeled with 68Ga. Thus, this solid phase-assisted dendron synthesis approach enables the fast and straightforward assembly of bioactive multivalent constructs for example applicable as radiotracers for in vivo imaging with Positron Emission Tomography (PET.

  9. Optimization of Physical Conditions for the Aqueous Extraction of Antioxidant Compounds from Ginger (Zingiber officinale) Applying a Box-Behnken Design.

    Science.gov (United States)

    Ramírez-Godínez, Juan; Jaimez-Ordaz, Judith; Castañeda-Ovando, Araceli; Añorve-Morga, Javier; Salazar-Pereda, Verónica; González-Olivares, Luis Guillermo; Contreras-López, Elizabeth

    2017-03-01

    Since ancient times, ginger (Zingiber officinale) has been widely used for culinary and medicinal purposes. This rhizome possesses several chemical constituents; most of them present antioxidant capacity due mainly to the presence of phenolic compounds. Thus, the physical conditions for the optimal extraction of antioxidant components of ginger were investigated by applying a Box-Behnken experimental design. Extracts of ginger were prepared using water as solvent in a conventional solid-liquid extraction. The analyzed variables were time (5, 15 and 25 min), temperature (20, 55 and 90 °C) and sample concentration (2, 6 and 10 %). The antioxidant activity was measured using the 2,2-diphenyl-1-picrylhydrazyl method and a modified ferric reducing antioxidant power assay while total phenolics were measured by Folin & Ciocalteu's method. The suggested experimental design allowed the acquisition of aqueous extracts of ginger with diverse antioxidant activity (100-555 mg Trolox/100 g, 147-1237 mg Fe 2+ /100 g and 50-332 mg gallic acid/100 g). Temperature was the determining factor in the extraction of components with antioxidant activity, regardless of time and sample quantity. The optimal physical conditions that allowed the highest antioxidant activity were: 90 °C, 15 min and 2 % of the sample. The correlation value between the antioxidant activity by ferric reducing antioxidant power assay and the content of total phenolics was R 2  = 0.83. The experimental design applied allowed the determination of the physical conditions under which ginger aqueous extracts liberate compounds with antioxidant activity. Most of them are of the phenolic type as it was demonstrated through the correlation established between different methods used to measure antioxidant capacity.

  10. Optimization of an analytical methodology for the determination of alkyl- and methoxy-phenolic compounds by HS-SPME in biomass smoke

    Energy Technology Data Exchange (ETDEWEB)

    Conde, Francisco J.; Afonso, Ana M.; Gonzalez, Venerando; Ayala, Juan H. [University of La Laguna, Campus de Anchieta, Department of Analytical Chemistry, Nutrition and Food Science, La Laguna (Spain)

    2006-08-15

    A sampling and analysis method for the determination of 21 phenolic compounds in smoke samples from biomass combustion has been developed. The smoke is used to make smoked foods, following an artisanal procedure used in some parts of the Canary Islands. The sampling system consists of a Bravo H air sampler, two impingers, each one containing an aqueous solution of sodium hydroxide 0.1 mol L{sup -1}, followed by a silica gel trap. The variables optimized to reach the best sampling conditions were volume of absorbent solution and sampling flow. Under the optimum conditions, 100 mL of absorbent solution of NaOH 0.10 mol L{sup -1} and 2 L min{sup -1} for the sampling flow, sampling efficiencies are higher than 80%. Analysis of phenolic compounds was carried out by headspace solid-phase microextraction (HS-SPME) coupled to gas chromatography-mass spectrometry (GC-MS). Five different fiber coatings were employed in this study. By means of a central composite design, extraction time, salt concentration, and pH of the solution were optimized: 65-{mu}m carbowax-divinylbenzene, extraction time 90 min, concentration in NaCl of 35% (m/v), and pH 2 yielded the highest response. Detection limits of phenol and their alkyl derivatives, guaiacol and eugenol, are between 1.13 and 4.60 ng mL{sup -1}. 3-Methoxyphenol, 2,6-dimethoxyphenol, and vanillin have detection limits considerably higher. Good linearity (R {sup 2}{>=}0.98) was observed for all calibration curves in the established ranges. The reproducibility of the method (RSD, relative standard deviation) was found to oscillate between 7 and 18% (generally close or lower than 10%). (orig.)

  11. Optimization of a Differential Ion Mobility Spectrometry-Tandem Mass Spectrometry Method for High-Throughput Analysis of Nicotine and Related Compounds: Application to Electronic Cigarette Refill Liquids.

    Science.gov (United States)

    Regueiro, Jorge; Giri, Anupam; Wenzl, Thomas

    2016-06-21

    Fast market penetration of electronic cigarettes is leading to an exponentially growing number of electronic refill liquids with different nicotine contents and an endless list of flavors. Therefore, rapid and simple methods allowing a fast screening of these products are necessary to detect harmful substances which can negatively impact the health of consumers. In this regard, the present work explores the capabilities of differential ion mobility spectrometry coupled to tandem mass spectrometry for high-throughput analysis of nicotine and 11 related compounds in commercial refill liquids for electronic cigarettes. The influence of main factors affecting the ion mobility separation, such as modifier types and concentration, separation voltage, and temperature, was systematically investigated. Despite small molecular weight differences among the studied compounds, a good separation was achieved in the ion mobility cell under the optimized conditions, which involved the use of ethanol as a polar gas-phase chemical modifier. Indeed, differential ion mobility was able to resolve (resolution >4) nicotine from its structural isomer anabasine without the use of any chromatographic separation. The quantitative performance of the proposed method was then evaluated, showing satisfactory precision (RSD ≤ 16%) and recoveries ranging from 85 to 100% for nicotine, and from 84 to 126% for the rest of the target analytes. Several commercial electronic cigarette refill liquids were analyzed to demonstrate the applicability of the method. In some cases, significant differences were found between labeled and measured levels of nicotine. Anatabine, cotinine, myosmine, and nornicotine were also found in some of the analyzed samples.

  12. Numerical Simulation and Optimization of Enhanced Oil Recovery by the In Situ Generated CO2 Huff-n-Puff Process with Compound Surfactant

    Directory of Open Access Journals (Sweden)

    Yong Tang

    2016-01-01

    Full Text Available This paper presents the numerical investigation and optimization of the operating parameters of the in situ generated CO2 Huff-n-Puff method with compound surfactant on the performance of enhanced oil recovery. First, we conducted experiments of in situ generated CO2 and surfactant flooding. Next, we constructed a single-well radial 3D numerical model using a thermal recovery chemical flooding simulator to simulate the process of CO2 Huff-n-Puff. The activation energy and reaction enthalpy were calculated based on the reaction kinetics and thermodynamic models. The interpolation parameters were determined through history matching a series of surfactant core flooding results with the simulation model. The effect of compound surfactant on the Huff-n-Puff CO2 process was demonstrated via a series of sensitivity studies to quantify the effects of a number of operation parameters including the injection volume and mole concentration of the reagent, the injection rate, the well shut-in time, and the oil withdrawal rate. Based on the daily production rate during the period of Huff-n-Puff, a desirable agreement was shown between the field applications and simulated results.

  13. Structural optimization and evaluation of butenolides as potent antifouling agents: modification of the side chain affects the biological activities of compounds

    KAUST Repository

    Li, Yongxin

    2012-09-01

    A recent global ban on the use of organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. In this study, a series of new butenolide derivatives with various amine side chains was synthesized and evaluated for their anti-larval settlement activities in the barnacle, Balanus amphitrite. Side chain modification of butenolide resulted in butenolides 3c-3d, which possessed desirable physico-chemical properties and demonstrated highly effective non-toxic anti-larval settlement efficacy. A structure-activity relationship analysis revealed that varying the alkyl side chain had a notable effect on anti-larval settlement activity and that seven to eight carbon alkyl side chains with a tert-butyloxycarbonyl (Boc) substituent on an amine terminal were optimal in terms of bioactivity. Analysis of the physico-chemical profile of butenolide analogues indicated that lipophilicity is a very important physico-chemical parameter contributing to bioactivity. © 2012 Copyright Taylor and Francis Group, LLC.

  14. Structural optimization and evaluation of butenolides as potent antifouling agents: modification of the side chain affects the biological activities of compounds

    KAUST Repository

    Li, Yongxin; Zhang, Fengying; Xu, Ying; Matsumura, Kiyotaka; Han, Zhuang; Liu, Lingli; Lin, Wenhan; Jia, Yanxing; Qian, Pei Yuan

    2012-01-01

    A recent global ban on the use of organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. In this study, a series of new butenolide derivatives with various amine side chains was synthesized and evaluated for their anti-larval settlement activities in the barnacle, Balanus amphitrite. Side chain modification of butenolide resulted in butenolides 3c-3d, which possessed desirable physico-chemical properties and demonstrated highly effective non-toxic anti-larval settlement efficacy. A structure-activity relationship analysis revealed that varying the alkyl side chain had a notable effect on anti-larval settlement activity and that seven to eight carbon alkyl side chains with a tert-butyloxycarbonyl (Boc) substituent on an amine terminal were optimal in terms of bioactivity. Analysis of the physico-chemical profile of butenolide analogues indicated that lipophilicity is a very important physico-chemical parameter contributing to bioactivity. © 2012 Copyright Taylor and Francis Group, LLC.

  15. Optimization of nutritional and non-nutritional factors involved for production of antimicrobial compounds from Lactobacillus pentosus SJ65 using response surface methodology

    Directory of Open Access Journals (Sweden)

    Appukuttan Saraniya

    2014-01-01

    Full Text Available Bacteriocins from lactic acid bacteria are ribosomal synthesized antibacterial proteins/ peptides having wide range of applications. Lactobacillus pentosus SJ65, isolated from fermented Uttapam batter (used to prepare south Indian pan cake, produces bacteriocin having a broad spectrum of activity against pathogens. Optimization studies are of utmost important to understand the source of utilization and the conditions to enhance the production of metabolites. In the present study, an attempt was made to identify the parameters involved for maximal production of antimicrobial compounds especially bacteriocin from the isolate L. pentosus SJ65. Initially, optimal conditions, such as incubation period, pH, and temperature were evaluated. Initial screening was done using methodology onevariable-at-a-time (OVAT for various carbon and nitrogen sources. Further evaluation was carried out statistically using Plackett-Burman design and the variables were analyzed using response surface methodology using central composite design. The optimum media using tryptone or soy peptone, yeast extract, glucose, triammonium citrate, MnSO4, dipotassium hydrogen phosphate and tween 80 produced maximum bacteriocin activity.

  16. Multiresponse optimization of a UPLC method for the simultaneous determination of tryptophan and 15 tryptophan-derived compounds using a Box-Behnken design with a desirability function.

    Science.gov (United States)

    Setyaningsih, Widiastuti; Saputro, Irfan E; Carrera, Ceferino A; Palma, Miguel; Barroso, Carmelo G

    2017-06-15

    A Box-Behnken design was used in conjunction with multiresponse optimization based on the desirability function to carry out the simultaneous separation of tryptophan and 15 derivatives by Ultra Performance Liquid Chromatography. The gradient composition of the mobile phase and the flow rate were optimized with respect to the resolution of severely overlapping chromatographic peaks and the total run time. Two different stationary phases were evaluated (hybrid silica and a solid-core-based C 18 column). The methods were validated and a suitable sensitivity was found for all compounds in the concentration range 1-100μgL -1 (R 2 >0.999). High levels of repeatability and intermediate precision (CV less than 0.25% and 1.7% on average for the retention time and the signal area, respectively) were obtained. The new method was applied to the determination tryptophan and its derivatives in black pigmented glutinous and non-glutinous rice grain samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Nutrient Optimization Using Response Surface Methodology for Simultaneous Biomass and Bioactive Compound Production by Lion's Mane Medicinal Mushroom, Hericium erinaceus (Agaricomycetes).

    Science.gov (United States)

    Ofosu, Fred K; Yu, Xiaobin; Wang, Qiang; Li, Hanguang

    2016-01-01

    Due to the unpleasant side effects of long-term use of commercially available drugs, the discovery and development of natural therapeutic agents to prevent life-debilitating diseases is urgently needed. In the present study, the optimization of medium composition for maximum mycelial biomass and bioactive compounds production by Hericium erinaceus was studied using response surface methodology based on a central composite design. Under the optimal conditions and at a pH of 5.41 ± 0.28, the maximum mycelial biomass and exopolysaccharide production reached 25.0 ± 1.38 g/L and 1.73 ± 0.06 g/L, respectively, compared with 22.65 ± 0.10 g/L and 1.56 ± 0.23 g/L in the basal medium, after 7 days of cultivation. Furthermore, we report for the first time the production of adenosine, both intra- and extracellularly in submerged cultures of H. erinaceus. Although most of the adenosine detected existed in the culture medium, the highest intracellular and extracellular adenosine concentrations of 150.84 ± 1.87 mg/L and 142.48 ± 3.78 mg/L were achieved after 7 and 6 days of cultivation, respectively.

  18. A compound structure of ELM based on feature selection and parameter optimization using hybrid backtracking search algorithm for wind speed forecasting

    International Nuclear Information System (INIS)

    Zhang, Chu; Zhou, Jianzhong; Li, Chaoshun; Fu, Wenlong; Peng, Tian

    2017-01-01

    Highlights: • A novel hybrid approach is proposed for wind speed forecasting. • The variational mode decomposition (VMD) is optimized to decompose the original wind speed series. • The input matrix and parameters of ELM are optimized simultaneously by using a hybrid BSA. • Results show that OVMD-HBSA-ELM achieves better performance in terms of prediction accuracy. - Abstract: Reliable wind speed forecasting is essential for wind power integration in wind power generation system. The purpose of paper is to develop a novel hybrid model for short-term wind speed forecasting and demonstrates its efficiency. In the proposed model, a compound structure of extreme learning machine (ELM) based on feature selection and parameter optimization using hybrid backtracking search algorithm (HBSA) is employed as the predictor. The real-valued BSA (RBSA) is exploited to search for the optimal combination of weights and bias of ELM while the binary-valued BSA (BBSA) is exploited as a feature selection method applying on the candidate inputs predefined by partial autocorrelation function (PACF) values to reconstruct the input-matrix. Due to the volatility and randomness of wind speed signal, an optimized variational mode decomposition (OVMD) is employed to eliminate the redundant noises. The parameters of the proposed OVMD are determined according to the center frequencies of the decomposed modes and the residual evaluation index (REI). The wind speed signal is decomposed into a few modes via OVMD. The aggregation of the forecasting results of these modes constructs the final forecasting result of the proposed model. The proposed hybrid model has been applied on the mean half-hour wind speed observation data from two wind farms in Inner Mongolia, China and 10-min wind speed data from the Sotavento Galicia wind farm are studied as an additional case. Parallel experiments have been designed to compare with the proposed model. Results obtained from this study indicate that the

  19. Development and optimization of a cell-based assay for the selection of synthetic compounds that potentiate bone morphogenetic protein-2 activity.

    Science.gov (United States)

    Okada, Motohiro; Sangadala, Sreedhara; Liu, Yunshan; Yoshida, Munehito; Reddy, Boojala Vijay B; Titus, Louisa; Boden, Scott D

    2009-12-01

    The requirement of large amounts of the recombinant human bone morphogenetic protein-2 (BMP-2) produces a huge translational barrier for its routine clinical use due to high cost. This leads to an urgent need to develop alternative methods to lower costs and/or increase efficacies for using BMP-2. In this study, we describe the development and optimization of a cell-based assay that is sensitive, reproducible, and reliable in identifying reagents that potentiate the effects of BMP-2 in inducing transdifferentiation of C2C12 myoblasts into the osteoblastic phenotype. The assay is based on a BMP-responsive Smad1-driven luciferase reporter gene. LIM mineralization protein-1 (LMP-1) is a novel intracellular LIM domain protein that has been shown by our group to enhance cellular responsiveness to BMP-2. Our previous report elucidated that the binding of LMP-1 with the WW2 domain in Smad ubiquitin regulatory factor-1 (Smurf1) rescues the osteogenic Smads from degradation. Here, using the optimized cell-based assay, we first evaluated the activity of the recombinantly prepared proteins, LMP-1, and its mutant (LMP-1DeltaSmurf1) that lacks the Smurf1-WW2 domain-binding motif. Both the wild type and the mutant proteins were engineered to contain an 11-amino acid HIV-TAT protein derived membrane transduction domain to aid the cellular delivery of recombinant proteins. The cell-based reporter assay confirmed that LMP-1 potentiates the BMP-induced stimulation of C2C12 cells towards the osteoblastic phenotype. The potentiating effect of LMP-1 was significantly reduced when a specific-motif known to interact with Smurf1 was mutated. We validated the results obtained in the reporter assay by also monitoring the expression of mRNA for osteocalcin and alkaline phosphatase (ALP) which is widely accepted osteoblast differentiation marker genes. Finally, we provide further confirmation of our results by measuring the activity of alkaline phosphatase in support of the accuracy and

  20. Optimization of ultrasound-assisted extraction of phenolic compounds from grapefruit (Citrus paradisi Macf.) leaves via D-optimal design and artificial neural network design with categorical and quantitative variables.

    Science.gov (United States)

    Ciğeroğlu, Zeynep; Aras, Ömür; Pinto, Carlos A; Bayramoglu, Mahmut; Kırbaşlar, Ş İsmail; Lorenzo, José M; Barba, Francisco J; Saraiva, Jorge A; Şahin, Selin

    2018-03-06

    The extraction of phenolic compounds from grapefruit leaves assisted by ultrasound-assisted extraction (UAE) was optimized using response surface methodology (RSM) by means of D-optimal experimental design and artificial neural network (ANN). For this purpose, five numerical factors were selected: ethanol concentration (0-50%), extraction time (15-60 min), extraction temperature (25-50 °C), solid:liquid ratio (50-100 g L -1 ) and calorimetric energy density of ultrasound (0.25-0.50 kW L -1 ), whereas ultrasound probe horn diameter (13 or 19 mm) was chosen as categorical factor. The optimized experimental conditions yielded by RSM were: 10.80% for ethanol concentration; 58.52 min for extraction time; 30.37 °C for extraction temperature; 52.33 g L -1 for solid:liquid ratio; 0.457 kW L -1 for ultrasonic power density, with thick probe type. Under these conditions total phenolics content was found to be 19.04 mg gallic acid equivalents g -1 dried leaf. The same dataset was used to train multilayer feed-forward networks using different approaches via MATLAB, with ANN exhibiting superior performance to RSM (differences included categorical factor in one model and higher regression coefficients), while close values were obtained for the extraction variables under study, except for ethanol concentration and extraction time. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

  1. Optimization of microwave-assisted extraction and pressurized liquid extraction of phenolic compounds from Moringa oleifera leaves by multiresponse surface methodology.

    Science.gov (United States)

    Rodríguez-Pérez, Celia; Gilbert-López, Bienvenida; Mendiola, Jose Antonio; Quirantes-Piné, Rosa; Segura-Carretero, Antonio; Ibáñez, Elena

    2016-07-01

    This work aims at studying the optimization of microwave-assisted extraction (MAE) and pressurized liquid extraction (PLE) by multi-response surface methodology (RSM) to test their efficiency towards the extraction of phenolic compounds from Moringa oleifera (M. oleifera) leaves. The extraction yield, total phenolic content (TPC), total flavonoid content (TF), DPPH scavenging method and trolox equivalent antioxidant capacity (TEAC) assay were considered as response variables while effects of extraction time, percentage of ethanol, and temperature were studied. Extraction time of 20 min, 42% ethanol and 158°C were the MAE optimum conditions for achieving extraction yield of 26 ± 2%, EC50 15 ± 2 μg/mL, 16 ± 1 Eq Trolox/100 g dry leaf, 5.2 ± 0.5 mg Eq quercetin/g dry leaf, and 86 ± 4 mg GAE/g dry leaf. Regarding PLE, the optimum conditions that allowed extraction yield of 56 ± 2%, EC50 21 ± 3 μg/mL, 12 ± 2 mmol Eq Trolox/100 g dry leaf, 6.5 ± 0.2 mg Eq quercetin/g dry leaf, and 59 ± 6 mg GAE/g dry leaf were 128°C, 35% of ethanol, and 20 min. PLE enabled the extraction of phenolic compounds with a higher number of hydroxyl-type substituents such as kaempferol diglycoside and its acetyl derivatives and those that are sensitive to high temperatures (glucosinolates or amino acids) while MAE allowed better recoveries of kaempferol, quercetin, and their glucosides derivatives. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Optimization of the quantitative direct solid total-reflection X-ray fluorescence analysis of glass microspheres functionalized with Zr organometallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Ruiz, Ramon, E-mail: ramon.fernandez@uam.e [Servicio Interdepartamental de Investigacion, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, E-28049, Madrid (Spain); Andres, Roman; Jesus, Ernesto de [Departamento de Quimica Inorganica, Universidad de Alcala, Campus Universitario, 28871, Alcala de Henares, Madrid (Spain); Terreros, Pilar [Instituto de Catalisis y Petroleo-Quimica, CSIC, Cantoblanco, 28049, Madrid (Spain)

    2010-06-15

    Quantitative determination of Zr in the system constituted by quartz microspheres functionalized with two kinds of organometallic compounds has been studied due to the importance of the correct quantization of the Zr from a catalytic point of view. Two parallel approximations were done, i.e. acid leaching and direct solid quantization. To validate the acid leaching TXRF measures, ICP-MS analysis were carried out. The results obtained by means of the optimization of the quantitative direct solid procedure show that, with a previous particle size distribution modification, TXRF obtain the same analytical results as ICP-MS and TXRF by acid leaching way but without previous chemical acid manipulation. This fact implies an important improvement for the analysis time, reagents costs and analysis facility and it proves again the versatility of TXRF to solve analytical problems in an easy, quick and accurate way. Additionally and for the direct solid TXRF measurements, a deeper study was done to evaluate the intrinsic analytical parameters of the Zr TXRF analysis of this material. So, the influence of the particle size distributions (modified by means of a high power ultrasound probe) with respect to uncertainty and detection limits for Zr were developed. The main analytical conclusion was the strong correlation between the average particle sizes and the TXRF analytical parameters of Zr measurements, i.e. concentration, accuracy, uncertainty and detection limits.

  3. NERI FINAL TECHNICAL REPORT, DE-FC07-O5ID14647. OPTIMIZATION OF OXIDE COMPOUNDS FOR ADVANCED INERT MATRIX MATERIALS

    International Nuclear Information System (INIS)

    Nino, Juan C.

    2009-01-01

    In order to reduce the current excesses of plutonium (both weapon grade and reactor grade) and other transuranium elements, a concept of inert matrix fuel (IMF) has been proposed for an uranium free transmutation of fissile actinides which excludes continuous uranium-plutonium conversion in thermal reactors and advanced systems. Magnesium oxide (MgO) is a promising candidate for inert matrix (IM) materials due to its high melting point (2827 C), high thermal conductivity (13 W/K · m at 1000 C), good neutronic properties, and irradiation stability However, MgO reacts with water and hydrates easily, which prevents it from being used in light water reactors (LWRs) as an IM. To improve the hydration resistance of MgO-based inert matrix materials, Medvedev and coworkers have recently investigated the introduction of a secondary phase that acts as a hydration barrier. An MgO-ZrO 2 composite was specifically studied and the results showed that the composite exhibited improved hydration resistance than pure MgO. However, ZrO 2 is insoluble in most acids except HF, which is undesirable for fuel reprocessing. Moreover, the thermal conductivity of ZrO 2 is low and typically less than 3 W · m -1 · K -1 at 1000 C. In search for an alternative composite strategy, Nd 2 Zr 2 O 7 , an oxide compound with pyrochlore structure, has been proposed recently as a corrosion resistant phase, and MgO-Nd 2 Zr 2 O 7 composites have been investigated as potential IM materials. An adequate thermal conductivity of 6 W · m - 1 · K -1 at 1000 C for the MgO-Nd 2 Zr 2 O 7 composite with 90 vol% MgO was recently calculated and reported. Other simulations proposed that the MgO-pyrochlore composites could exhibit higher radiation stability than previously reported. Final optimization of the composite microstructure was performed on the 70 vol% MgO-Nd 2 Zr 2 O 7 composite that burnup calculations had shown to have the closest profile to that of MOX fuel. Theoretical calculations also indicated that

  4. NERI FINAL TECHNICAL REPORT, DE-FC07-O5ID14647, OPTIMIZATION OF OXIDE COMPOUNDS FOR ADVANCED INERT MATRIX MATERIALS

    Energy Technology Data Exchange (ETDEWEB)

    PI: JUAN C. NINO, ASSOCIATE PROFESSOR

    2009-01-11

    In order to reduce the current excesses of plutonium (both weapon grade and reactor grade) and other transuranium elements, a concept of inert matrix fuel (IMF) has been proposed for an uranium free transmutation of fissile actinides which excludes continuous uranium-plutonium conversion in thermal reactors and advanced systems. Magnesium oxide (MgO) is a promising candidate for inert matrix (IM) materials due to its high melting point (2827 C), high thermal conductivity (13 W/K {center_dot} m at 1000 C), good neutronic properties, and irradiation stability However, MgO reacts with water and hydrates easily, which prevents it from being used in light water reactors (LWRs) as an IM. To improve the hydration resistance of MgO-based inert matrix materials, Medvedev and coworkers have recently investigated the introduction of a secondary phase that acts as a hydration barrier. An MgO-ZrO{sub 2} composite was specifically studied and the results showed that the composite exhibited improved hydration resistance than pure MgO. However, ZrO{sub 2} is insoluble in most acids except HF, which is undesirable for fuel reprocessing. Moreover, the thermal conductivity of ZrO{sub 2} is low and typically less than 3 W {center_dot} m{sup -1} {center_dot} K{sup -1} at 1000 C. In search for an alternative composite strategy, Nd{sub 2}Zr{sub 2}O{sub 7}, an oxide compound with pyrochlore structure, has been proposed recently as a corrosion resistant phase, and MgO-Nd{sub 2}Zr{sub 2}O{sub 7} composites have been investigated as potential IM materials. An adequate thermal conductivity of 6 W {center_dot} m{sup -} 1 {center_dot} K{sup -1} at 1000 C for the MgO-Nd{sub 2}Zr{sub 2}O{sub 7} composite with 90 vol% MgO was recently calculated and reported. Other simulations proposed that the MgO-pyrochlore composites could exhibit higher radiation stability than previously reported. Final optimization of the composite microstructure was performed on the 70 vol% MgO-Nd{sub 2}Zr{sub 2}O{sub 7

  5. Development and validation of method for heterocyclic compounds in wine: optimization of HS-SPME conditions applying a response surface methodology.

    Science.gov (United States)

    Burin, Vívian Maria; Marchand, Stéphanie; de Revel, Gilles; Bordignon-Luiz, Marilde T

    2013-12-15

    Considering the importance of the heterocyclic compounds in terms of wine flavor, this study aims to propose a new rapid and solvent free method to quantify different classes of heterocyclic compounds, such as furans, thiophenes, thiazols and pyrazines, which are products of the Maillard reaction, in wines. The use of a central composite design and the response surface methodology to determine the best conditions allows the optimum combination of analytical variables (pH, NaCl and extraction time) to be identified. The validation was carried out using several types of wine as matrices. The method shows satisfactory repeatability (2.7%heterocyclic compounds were determined, mainly for red wines. © 2013 Elsevier B.V. All rights reserved.

  6. Hydrodeoxygenation of Biomass Pyrolysis Vapor Model Compounds over MoS2 Based Catalysts: A Step in Understanding and Optimizing Fuel Production from Solid Biomass

    DEFF Research Database (Denmark)

    Dabros, Trine Marie Hartmann

    This thesis is dedicated to the investigation, development, and optimization of catalysts and operating conditions for catalytic hydropyrolysis and pyrolysis vapor hydrodeoxygenation (HDO) with the aim of producing liquid fuel from solid biomass.......This thesis is dedicated to the investigation, development, and optimization of catalysts and operating conditions for catalytic hydropyrolysis and pyrolysis vapor hydrodeoxygenation (HDO) with the aim of producing liquid fuel from solid biomass....

  7. Clean recovery of antioxidant compounds from plant foods, by-products and algae assisted by ultrasounds processing. Modeling approaches to optimize processing conditions

    DEFF Research Database (Denmark)

    Roselló-Soto, Elena; Galanakis, Charis M.; Brnčić, Mladen

    2015-01-01

    Ultrasound treatment is an alternative affordable, effective and reproducible method for the improved recovery of bioactive compounds from various processing streams. The objective of this review is to discuss the impact of ultrasound-assisted extraction on the recovery of polyphenols, carotenoid...

  8. Economical incineration of volatile organic compounds (VOC) using oxide catalysts with optimized superficial properties; Incineration economique de composes organiques volatils (COV) a l'aide des catalyseurs d'oxydes aux proprietes superficielles optimisees

    Energy Technology Data Exchange (ETDEWEB)

    Evstratov, A. [Ecole Nationale Superieure des Techniques Industrielles et des Mines d' Ales, ENSTIMA, Centre LGEI, 30 - Ales (France)

    2001-07-01

    This study aims at presenting the existing possibilities of improvement of the technological parameters of the incineration processes for VOC-bearing industrial gases. Two different approaches are considered. One is based on the preliminary accumulation of the compounds to be degraded on catalytic surfaces having important acid-base and redox capabilities; the formation of the deposits is followed by the in situ catalytic incineration. The other is based on the application of catalysts with optimized acidities in order to limit the acid-base interactions and to maintain the catalytic surfaces in a stationary state at reduced temperatures. The first approach is applied to reactive VOC (unsaturated and polar compounds), while the other can be useful for the economical treatment of any type of VOC-bearing effluent. (J.S.)

  9. Application of response surface methodology to optimize pressurized liquid extraction of antioxidant compounds from sage (Salvia officinalis L.), basil (Ocimum basilicum L.) and thyme (Thymus vulgaris L.).

    Science.gov (United States)

    Hossain, M B; Brunton, N P; Martin-Diana, A B; Barry-Ryan, C

    2010-12-01

    The present study optimized pressurized liquid extraction (PLE) conditions using Dionex ASE® 200, USA to maximize the antioxidant activity [Ferric ion Reducing Antioxidant Power (FRAP)] and total polyphenol content (TP) of the extracts from three spices of Lamiaceae family (sage, basil and thyme). Optimal conditions with regard to extraction temperature (66-129 °C) and solvent concentration (32-88% methanol) were identified using response surface methodology (RSM). For all three spices, results showed that 129 °C was the optimum temperature with regard to antioxidant activity. Optimal methanol concentrations with respect to the antioxidant activity of sage and basil extracts were 58% and 60% respectively. Thyme showed a different trend with regard to methanol concentration and was optimally extracted at 33%. Antioxidant activity yields of the optimal PLE were significantly (p < 0.05) higher than solid/liquid extracts. Predicted models were highly significant (p < 0.05) for both total phenol (TP) and FRAP values in all the spices with high regression coefficients (R(2)) ranging from 0.651 to 0.999.

  10. Doehlert design-desirability function multi-criteria optimal separation of 17 phenolic compounds from extra-virgin olive oil by capillary zone electrophoresis.

    Science.gov (United States)

    Ballus, Cristiano Augusto; Meinhart, Adriana Dillenburg; de Souza Campos, Francisco Alberto; Bruns, Roy Edward; Godoy, Helena Teixeira

    2014-03-01

    In Brazil, the consumption of extra-virgin olive oil (EVOO) is increasing annually, but there are no experimental studies concerning the phenolic compound contents of commercial EVOO. The aim of this work was to optimise the separation of 17 phenolic compounds already detected in EVOO. A Doehlert matrix experimental design was used, evaluating the effects of pH and electrolyte concentration. Resolution, runtime and migration time relative standard deviation values were evaluated. Derringer's desirability function was used to simultaneously optimise all 37 responses. The 17 peaks were separated in 19min using a fused-silica capillary (50μm internal diameter, 72cm of effective length) with an extended light path and 101.3mmolL(-1) of boric acid electrolyte (pH 9.15, 30kV). The method was validated and applied to 15 EVOO samples found in Brazilian supermarkets. Published by Elsevier Ltd.

  11. Speciation of mercury compounds by gas chromatography with atomic emission detection. Simultaneous optimization of a headspace solid-phase microextraction and derivatization procedure by use of chemometric techniques

    Energy Technology Data Exchange (ETDEWEB)

    Carro, A.M.; Neira, I.; Rodil, R.; Lorenzo, R. A. [Univ. Santiago de Compostela (Spain). Dpto. Quimica Analitica, Nutricion y Bromatologia

    2003-06-01

    A method is proposed for the extraction and determination of organomercury compounds and Hg(II) in seawater samples by headspace solid-phase microextraction (HS-SPME) combined with capillary gas chromatography-microwave-induced plasma atomic emission spectrometry. The mercury species were derivatized with sodium tetraphenylborate, sorbed on a polydimethylsiloxane-coated fused-silica fibre, and desorbed in the injection port of the GC, in splitless mode. Experimental design methodology was used to evaluate the effect of six HS-SPME-derivatization variables: sample volume, NaBPh{sub 4} volume, pH, sorption time, extraction-derivatization temperature, and rate of stirring. Use of a multicriterion decision-making approach, with the desirability function, enabled determination of the optimum working conditions of the procedure for simultaneous analysis of three mercury species. (orig.)

  12. Ultra-high-pressure liquid chromatography tandem mass spectrometry method for the determination of 9 organophosphate flame retardants in water samples

    NARCIS (Netherlands)

    Lorenzo, M.; Campo, J.; Picó, Y.

    2016-01-01

    Few methods are available for comprehensive organophosphate flame retardants (PFRs) detection in water and wastewater. Gas chromatography has been employed previously, but this approach is less selective, not amenable for use with deuterated standards and can suffer unfavorable fragmentation.

  13. Experimental Investigation of Magnetic Superconducting and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures using Designer Diamond Anvils

    International Nuclear Information System (INIS)

    Maple, M. Brian; Jeffries, Jason R.; Ho, Pei-Chun; Butch, Nicholas P.

    2004-01-01

    Pressure is often used as a controlled parameter for the investigation of condensed matter systems. In particular, pressure experiments can provide valuable information into the nature of superconductivity, magnetism, and the coexistence of these two phenomena. Some f-electron, heavy-fermion materials display interesting and novel behavior at moderately low pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require ultrahigh pressure techniques, techniques that generate significantly higher pressures than conventional methods, to sufficiently explore their important properties. To that end, we have been funded to develop an ultrahigh pressure diamond anvil cell facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena. Our goals for the first year of this grant were as follows: (a) set up and test a suitable refrigerator; (b) set up a laser and spectrometer fluorescence system to determine the pressure within the diamond anvil cell; (c) perform initial resistivity measurements at moderate pressures from room temperature to liquid helium temperatures (∼1K); (d) investigate f-electron materials within our current pressure capabilities to find candidate materials for high-pressure studies. During the past year, we have ordered almost all the components required to set up a diamond anvil cell facility at UCSD, we have received and implemented many of the components that have been ordered, we have performed low pressure research on several materials, and we have engaged in a collaborative effort with Sam Weir at Lawrence Livermore National Lab (LLNL) to investigate Au4V under ultrahigh pressure in a designer diamond anvil cell (dDAC). This report serves to highlight the progress we have made towards developing an ultrahigh pressure research facility at UCSD, the research performed in the past year, as well as future directions we plan to pursue

  14. Use of ultra-high pressure liquid chromatography coupled to high resolution mass spectrometry for fast screening in high throughput doping control.

    Science.gov (United States)

    Musenga, Alessandro; Cowan, David A

    2013-05-03

    We describe a sensitive, comprehensive and fast screening method based on liquid chromatography-high resolution mass spectrometry for the detection of a large number of analytes in sports samples. UHPLC coupled to high resolution mass spectrometry with polarity switching capability is applied for the rapid screening of a large number of analytes in human urine samples. Full scan data are acquired alternating both positive and negative ionisation. Collision-induced dissociation with positive ionisation is also performed to produce fragment ions to improve selectivity for some analytes. Data are reviewed as extracted ion chromatograms based on narrow mass/charge windows (±5ppm). A simple sample preparation method was developed, using direct enzymatic hydrolysis of glucuronide conjugates, followed by solid phase extraction with mixed mode ion-exchange cartridges. Within a 10min run time (including re-equilibration) the method presented allows for the analysis of a large number of analytes from most of the classes in the World Anti-Doping Agency (WADA) Prohibited List, including anabolic agents, β2-agonists, hormone antagonists and modulators, diuretics, stimulants, narcotics, glucocorticoids and β-blockers, and does so while meeting the WADA sensitivity requirements. The high throughput of the method and the fast sample pre-treatment reduces analysis cost and increases productivity. The method presented has been used for the analysis of over 5000 samples in about one month and proved to be reliable. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Structural modification of swai-fish (Pangasius hypophthalmus)-based emulsions containing non-meat protein additives by ultra-high pressure and thermal treatments

    Science.gov (United States)

    Techarang, Jiranat; Apichartsrangkoon, Arunee; Phanchaisri, Boonrak; Pathomrungsiyoungkul, Pattavara; Sriwattana, Sujinda

    2017-07-01

    Swai-fish emulsions containing fermented soybeans (thua nao and rice-koji miso) were pressurized at 600 MPa for 20 min or heated at 72°C for 30 min. The fish batters were blended with soy protein isolate (SPI) or whey protein concentrate (WPC) to stabilize the emulsions. The processed fish emulsions were then subjected to physical, chemical and microbiological examinations. The results of gel strength and water-holding potential showed that SPI addition yielded higher impact on these properties than WPC addition, which was also confirmed by the interactions between SPI and native fish proteins depicted by electrophoregrams. The frequency profiles suggested that the heated gels had a greater storage and loss moduli than pressurized gels, while pressurized WPC set-gel displayed larger loss tangent (the predominance of viscous moiety) than those pressurized SPI set-gel. High bacteria and spore counts of B. subtilis (residual of the thua nao) were observed in both pressurized and heated fish-based emulsions.

  16. The LICPA-driven collider—a novel efficient tool for the production of ultra-high pressures in condensed media

    Science.gov (United States)

    Badziak, J.; Krousky, E.; Kucharik, M.; Liska, R.

    2016-03-01

    Generation of strong shock waves for the production of Mbar or Gbar pressures is a topic of high relevance for contemporary research in various domains, including inertial confinement fusion, laboratory astrophysics, planetology and material science. The pressures in the multi-Mbar range can be produced by the shocks generated using chemical explosions, light-gas guns, Z-pinch machines or lasers. Higher pressures, in the sub-Gbar or Gbar range are attainable only with nuclear explosions or laser-based methods. Unfortunately, due to the low efficiency of energy conversion from a laser to the shock (below a few percent), multi-kJ, multi-beam lasers are needed to produce such pressures with these methods. Here, we propose and investigate a novel scheme for generating high-pressure shocks which is much more efficient than the laser-based schemes known so far. In the proposed scheme, the shock is generated in a dense target by the impact of a fast projectile driven by the laser-induced cavity pressure acceleration (LICPA) mechanism. Using two-dimensional hydrodynamic simulations and the measurements performed at the kilojoule PALS laser facility it is shown that in the LICPA-driven collider the laser-to-shock energy conversion efficiency can reach a very high value ~ 15-20 % and, as a result, the shock pressure ~ 0.5-1 Gbar can be produced using lasers of energy market. It would open up the possibility of conducting research in high energy-density science also in small, university-class laboratories.

  17. Physical and chemical properties of Nam Prig Noom, a Thai green-chili paste, following ultra-high pressure and thermal processes

    Science.gov (United States)

    Apichartsrangkoon, Arunee; Srisajjalertwaja, Siriwan; Chaikham, Pittaya; Hirun, Sathira

    2013-03-01

    A study of processing green-chili pastes (Nam Prig Noom) by pressurization (100-600 MPa/30-50°C/20 min), pasteurization (90°C/3-5 min) or sterilization (121°C/4 min), subsequently, their physical, biochemical and microbiological qualities as well as the sensory acceptance were assessed. It was found that pressure at low levels (100-300 MPa) could improve activities of enzyme peroxidase (POD), polyphenoloxidase (PPO) and lypoxygenase (LOX) in the chili paste by more than 100%, while pressures above 500 or 300 MPa combined with heat would significantly inactivate these enzyme activities. Both color parameters and enzyme activities illustrated that though some enzymatic browning occurred with the pressurized products indicated by b* (yellowish) parameter, the magnitude of these browning was still milder than those thermally treated products indicated by-a* (greenness) and L (lightness) parameters, presumably as a consequence of the Maillard reaction. Moreover, the sensory scores were found in accordance with color parameters, firmness and capsaicin contents.

  18. A fast ultra high pressure liquid chromatographic method for qualification and quantification of pharmaceutical combination preparations containing paracetamol, acetyl salicylic acid and/or antihistaminics.

    Science.gov (United States)

    Deconinck, E; Sacré, P Y; Baudewyns, S; Courselle, P; De Beer, J

    2011-09-10

    A fully validated UHPLC method for the identification and quantification of pharmaceutical preparations, containing paracetamol and/or acetyl salicylic acid, combined with anti-histaminics (phenylephrine, pheniramine maleate, diphenhydramine, promethazine) and/or other additives as quinine sulphate, caffeine or codeine phosphate, was developed. The proposed method uses a Waters Acquity BEH C18 column (2 mm × 100 mm, 1.7 μm) with a gradient using an ammonium acetate buffer pH 4.0 as aqueous phase and methanol as organic modifier. The obtained method was fully validated based on its measurement uncertainty (accuracy profile) and robustness tests. Calibration lines for all components were linear within the studied ranges. The relative bias and the relative standard deviations for all components were respectively smaller than 1.5% and 2%, the β-expectation tolerance limits did not exceed the acceptance limits of 10% and the relative expanded uncertainties were smaller than 5% for all of the considered components. A UHPLC method was obtained for the identification and quantification of these kind of pharmaceutical preparations, which will significantly reduce analysis times and workload for the laboratories charged with the quality control of these preparations. Copyright © 2011 Elsevier B.V. All rights reserved.

  19. Determination of Optimal Imaging Mode for Ultrasonographic Detection of Subdermal Contraceptive Rods: Comparison of Spatial Compound, Conventional, and Tissue Harmonic Imaging Methods

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung Jin; Seo, Kyung; Song, Ho Taek; Park, Ah Young; Kim, Yaena; Yoon, Choon Sik [Gangnam Severance Hospital, Yonsei University College of Medicine, Seoul (Korea, Republic of); Suh, Jin Suck; Kim, Ah Hyun [Dept. of Radiology and Research Institute of Radiological Science, Severance Hospital, Yonsei University College of Medicine, Seoul (Korea, Republic of); Ryu, Jeong Ah [Dept. of Radiology, Guri Hospital, Hanyang University College of Medicine, Guri (Korea, Republic of); Park, Jeong Seon [Dept. of Radiology, Hanyang University Hospital, Hanyang University College of Medicine, Seoul (Korea, Republic of)

    2012-09-15

    To determine which mode of ultrasonography (US), among the conventional, spatial compound, and tissue-harmonic methods, exhibits the best performance for the detection of Implanon with respect to generation of posterior acoustic shadowing (PAS). A total of 21 patients, referred for localization of impalpable Implanon, underwent US, using the three modes with default settings (i.e., wide focal zone). Representative transverse images of the rods, according to each mode for all patients, were obtained. The resulting 63 images were reviewed by four observers. The observers provided a confidence score for the presence of PAS, using a five-point scale ranging from 1 (definitely absent) to 5 (definitely present), with scores of 4 or 5 for PAS being considered as detection. The average scores of PAS, obtained from the three different modes for each observer, were compared using one-way repeated measure ANOVA. The detection rates were compared using a weighted least square method. Statistically, the tissue harmonic mode was significantly superior to the other two modes, when comparing the average scores of PAS for all observers (p < 0.00-1). The detection rate was also highest for the tissue harmonic mode (p < 0.001). Tissue harmonic mode in US appears to be the most suitable in detecting subdermal contraceptive implant rods.

  20. Determination of Optimal Imaging Mode for Ultrasonographic Detection of Subdermal Contraceptive Rods: Comparison of Spatial Compound, Conventional, and Tissue Harmonic Imaging Methods

    International Nuclear Information System (INIS)

    Kim, Sung Jin; Seo, Kyung; Song, Ho Taek; Park, Ah Young; Kim, Yaena; Yoon, Choon Sik; Suh, Jin Suck; Kim, Ah Hyun; Ryu, Jeong Ah; Park, Jeong Seon

    2012-01-01

    To determine which mode of ultrasonography (US), among the conventional, spatial compound, and tissue-harmonic methods, exhibits the best performance for the detection of Implanon with respect to generation of posterior acoustic shadowing (PAS). A total of 21 patients, referred for localization of impalpable Implanon, underwent US, using the three modes with default settings (i.e., wide focal zone). Representative transverse images of the rods, according to each mode for all patients, were obtained. The resulting 63 images were reviewed by four observers. The observers provided a confidence score for the presence of PAS, using a five-point scale ranging from 1 (definitely absent) to 5 (definitely present), with scores of 4 or 5 for PAS being considered as detection. The average scores of PAS, obtained from the three different modes for each observer, were compared using one-way repeated measure ANOVA. The detection rates were compared using a weighted least square method. Statistically, the tissue harmonic mode was significantly superior to the other two modes, when comparing the average scores of PAS for all observers (p < 0.00-1). The detection rate was also highest for the tissue harmonic mode (p < 0.001). Tissue harmonic mode in US appears to be the most suitable in detecting subdermal contraceptive implant rods.

  1. Synthesis of MnO2/cellulose fiber nanocomposites for rapid adsorption of insecticide compound and optimization by response surface methodology.

    Science.gov (United States)

    Gupta, Vinod Kumar; Fakhri, Ali; Agarwal, Shilpi; Sadeghi, Nima

    2017-09-01

    The MnO 2 /Cellulose fiber Nanocomposites have been prepared via the microwave-assisted hydrothermal method. The characteristic structure of MnO 2 /Cellulose fiber Nanocomposites was analyzed using X-ray diffraction, photoluminescence and UV-vis spectra, Transmission electron Microscopy, N 2 adsorption-desorption and Scanning electron microscopy instrumental techniques. BET surface area and crystallite size values of MnO 2 /cellulose fiber nanocomposites have been found as 87.064m 2 /g and 70.0nm, respectively. Response Surface Methodology (RSM) has been used for adsorption of Insecticide compound such as Toxaphene by prepared adsorbent. MnO 2 /Cellulose fiber Nanocomposites shows maximum removal of 96.5% at initial Toxaphene concentration of 5.0mg/L, pH 3 and adsorbent dose of 5.0g/L. Kinetic and equilibrium data follow pseudo-second order and Langmuir isotherm model, respectively. Adsorption capacity of MnO 2 /Cellulose fiber Nanocomposites has been found to be 5.465mg/g. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Optimization of Microwave-Assisted Extraction Conditions for Five Major Bioactive Compounds from Flos Sophorae Immaturus (Cultivars of Sophora japonica L. Using Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Jin-Liang Liu

    2016-03-01

    Full Text Available Microwave-assisted extraction was applied to extract rutin; quercetin; genistein; kaempferol; and isorhamnetin from Flos Sophorae Immaturus. Six independent variables; namely; solvent type; particle size; extraction frequency; liquid-to-solid ratio; microwave power; and extraction time were examined. Response surface methodology using a central composite design was employed to optimize experimental conditions (liquid-to-solid ratio; microwave power; and extraction time based on the results of single factor tests to extract the five major components in Flos Sophorae Immaturus. Experimental data were fitted to a second-order polynomial equation using multiple regression analysis. Data were also analyzed using appropriate statistical methods. Optimal extraction conditions were as follows: extraction solvent; 100% methanol; particle size; 100 mesh; extraction frequency; 1; liquid-to-solid ratio; 50:1; microwave power; 287 W; and extraction time; 80 s. A rapid and sensitive ultra-high performance liquid chromatography method coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (EIS-Q-TOF MS/MS was developed and validated for the simultaneous determination of rutin; quercetin; genistein; kaempferol; and isorhamnetin in Flos Sophorae Immaturus. Chromatographic separation was accomplished on a Kinetex C18 column (100 mm × 2.1 mm; 2.6 μm at 40 °C within 5 min. The mobile phase consisted of 0.1% aqueous formic acid and acetonitrile (71:29; v/v. Isocratic elution was carried out at a flow rate of 0.35 mL/min. The constituents of Flos Sophorae Immaturus were simultaneously identified by EIS-Q-TOF MS/MS in multiple reaction monitoring mode. During quantitative analysis; all of the calibration curves showed good linear relationships (R2 > 0.999 within the tested ranges; and mean recoveries ranged from 96.0216% to 101.0601%. The precision determined through intra- and inter-day studies showed an RSD% of <2.833%. These

  3. Reliability optimization in compound electric power systems with the aid of evolutionary algorithms; Optimizacion de la confiabilidad en sistemas electricos de potencia compuestos utilizando algoritmos evolucionarios

    Energy Technology Data Exchange (ETDEWEB)

    Gomez Hernandez, Jose Alberto

    2001-11-15

    The purpose of evaluating the reliability of Electric Power Systems is to estimate the ability of the system to carry out their function of taking the energy from the generating stations to the load points. This involves the reliability of generation sources and transmission that affect in the transfer of power through the transmission system that bears load loss and voltage sags between the generation and the consumption centers. In this thesis a hybrid methodology that optimize the reliability in systems generation -transmission using evolutionary algorithms is developed. This technique of optimization determines the optimum number of components (parallel redundancy in lines) and shunt compensation in load nodes necessary to maximize reliability, subject to cost restrictions, and considering security conditions in steady state, using the smallest singular value technique. The objective function will be defined as stochastic function, where the measure of interests is the smallest singular value of the Jacobian matrix of power flows solution of the most severe event according to the evaluation of reliability of the generation transmission system, this formulation is a combination of integer and continuous non linear programming, where the conventional mathematical programming algorithms present difficulties in robustness and global optimal search. The fault in generation units is determined by using the state sampling together with the transmission system by Monte Carlo simulation for a desired load level. For events where violations in security exist (lines loading, violation in voltage in load nodes and violation in reactive power of generation nodes) a model of active and reactive power dispatch is used in order to correct these violations by means of the exact penalty function linear programming technique to proceeded to determine the stability of voltage in steady state by means of the smallest singular value technique and the participation factors of nodes

  4. Preparation of activated petroleum coke for removal of naphthenic acids model compounds: Box-Behnken design optimization of KOH activation process.

    Science.gov (United States)

    Niasar, Hojatallah Seyedy; Li, Hanning; Das, Sreejon; Kasanneni, Tirumala Venkateswara Rao; Ray, Madhumita B; Xu, Chunbao Charles

    2018-04-01

    This study employed Box-Behnken design and response surface methodology to optimize activation parameters for the production of activated petroleum coke (APC) adsorbent from petroleum coke (PC) to achieve highest adsorption capacity for three model naphthenic acids. Activated petroleum coke (APC) adsorbent with a BET surface area of 1726 m 2 /g and total pore volume of 0.85 cc/g was produced at the optimum activation conditions (KOH/coke mass ratio) of 3.0, activation temperature 790 °C, and activation time 3.47 h). Effects of the activation parameters on the adsorption pefromances (adsortion capaciy and kinetics) were investigated. With the APC obtained at the optimum activation condition, the maximum adsorption capacity of 451, 362, and 320 (mg/g) was achieved for 2-naphthoic acid, diphenylacetic acid and cyclohexanepentanoic acid (CP), respectively. Although, generally APC adsorbents with a higher specific surface area and pore volume provide better adsorption capacity, the textural properties (surface areas and pore volume) are not the only parameters determining the APC adsorbents' adsorption capacity. Other parameters such as surface functionalities play effective roles on the adsorption capacity of the produced APC adsorbents for NAs. The KOH activation process, in particular the acid washing step, distinctly reduced the sulfur and metals contents in the raw PC, decreasing the leaching potential of metals from APC adsorbents during adsorption. Copyright © 2018 Elsevier Ltd. All rights reserved.

  5. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  6. Optimization of on-line hydrogen stable isotope ratio measurements of halogen- and sulfur-bearing organic compounds using elemental analyzer-chromium/high-temperature conversion isotope ratio mass spectrometry (EA-Cr/HTC-IRMS).

    Science.gov (United States)

    Gehre, Matthias; Renpenning, Julian; Geilmann, Heike; Qi, Haiping; Coplen, Tyler B; Kümmel, Steffen; Ivdra, Natalija; Brand, Willi A; Schimmelmann, Arndt

    2017-03-30

    Accurate hydrogen isotopic analysis of halogen- and sulfur-bearing organics has not been possible with traditional high-temperature conversion (HTC) because the formation of hydrogen-bearing reaction products other than molecular hydrogen (H 2 ) is responsible for non-quantitative H 2 yields and possible hydrogen isotopic fractionation. Our previously introduced, new chromium-based EA-Cr/HTC-IRMS (Elemental Analyzer-Chromium/High-Temperature Conversion Isotope Ratio Mass Spectrometry) technique focused primarily on nitrogen-bearing compounds. Several technical and analytical issues concerning halogen- and sulfur-bearing samples, however, remained unresolved and required further refinement of the reactor systems. The EA-Cr/HTC reactor was substantially modified for the conversion of halogen- and sulfur-bearing samples. The performance of the novel conversion setup for solid and liquid samples was monitored and optimized using a simultaneously operating dual-detection system of IRMS and ion trap MS. The method with several variants in the reactor, including the addition of manganese metal chips, was evaluated in three laboratories using EA-Cr/HTC-IRMS (on-line method) and compared with traditional uranium-reduction-based conversion combined with manual dual-inlet IRMS analysis (off-line method) in one laboratory. The modified EA-Cr/HTC reactor setup showed an overall H 2 -recovery of more than 96% for all halogen- and sulfur-bearing organic compounds. All results were successfully normalized via two-point calibration with VSMOW-SLAP reference waters. Precise and accurate hydrogen isotopic analysis was achieved for a variety of organics containing F-, Cl-, Br-, I-, and S-bearing heteroelements. The robust nature of the on-line EA-Cr/HTC technique was demonstrated by a series of 196 consecutive measurements with a single reactor filling. The optimized EA-Cr/HTC reactor design can be implemented in existing analytical equipment using commercially available material and

  7. Optimizing detectability

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    HPLC is useful for trace and ultratrace analyses of a variety of compounds. For most applications, HPLC is useful for determinations in the nanogram-to-microgram range; however, detection limits of a picogram or less have been demonstrated in certain cases. These determinations require state-of-the-art capability; several examples of such determinations are provided in this chapter. As mentioned before, to detect and/or analyze low quantities of a given analyte at submicrogram or ultratrace levels, it is necessary to optimize the whole separation system, including the quantity and type of sample, sample preparation, HPLC equipment, chromatographic conditions (including column), choice of detector, and quantitation techniques. A limited discussion is provided here for optimization based on theoretical considerations, chromatographic conditions, detector selection, and miscellaneous approaches to detectability optimization. 59 refs

  8. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  9. Polymer compound

    NARCIS (Netherlands)

    1995-01-01

    A Polymer compound comprising a polymer (a) that contains cyclic imidesgroups and a polymer (b) that contains monomer groups with a 2,4-diamino-1,3,5-triazine side group. According to the formula (see formula) whereby themole percentage ratio of the cyclic imides groups in the polymer compoundwith

  10. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Organic Chemistry. Kamatak University,. Dharwad. Her research interests are synthesis, reactions and synthetic utility of sydnones. She is currently working on electrochemical and insecticidal/antifungal activities for some of these compounds. Keywords. Aromaticity, mesoionic hetero- cycles, sydnones, tandem re- actions.

  11. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  12. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2007-01-01

    Seawater and natural brines accounted for about 52 percent of U.S. magnesium compounds production in 2006. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from sea-water by Premier Chemicals in Florida; from well brines in Michigan by Martin Marietta and Rohm and Haas; and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from brucite by Applied Chemical Magnesias in Texas, from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta and Rohm and Haas from their operations mentioned above. About 59 percent of the magnesium compounds consumed in the United States was used for refractories that are used mainly to line steelmaking furnaces. The remaining 41 percent was consumed in agricultural, chemical, construction, environmental and industrial applications.

  13. Compound odontoma

    Directory of Open Access Journals (Sweden)

    José Marcelo Vargas Pinto

    2008-01-01

    Full Text Available Odontomas are the most common types of odontogenic tumors, as they are considered more as a developmental anomaly (hamartoma than as a true neoplasia. The aim of the present study is to describe a clinical case of compound odontoma, analyzing its most commonsigns, its region of location, the decade of life and patient’s gender, disorders that may occur as well as the treatment proposed. In order to attain this objective, the method was description of the present clinical case and bibliographic revision, arriving at the result that the treatment for this type of lesion invariably is surgical removal (enucleation and curettage and the prognosis is excellent. The surgical result was followed up in the post-operative period by radiographic exam, and it was possible to conclude that there was complete cicatrization and tissue repair.

  14. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2012-01-01

    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  15. Isotopically modified compounds

    International Nuclear Information System (INIS)

    Kuruc, J.

    2009-01-01

    In this chapter the nomenclature of isotopically modified compounds in Slovak language is described. This chapter consists of following parts: (1) Isotopically substituted compounds; (2) Specifically isotopically labelled compounds; (3) Selectively isotopically labelled compounds; (4) Non-selectively isotopically labelled compounds; (5) Isotopically deficient compounds.

  16. Optimization and Optimal Control

    CERN Document Server

    Chinchuluun, Altannar; Enkhbat, Rentsen; Tseveendorj, Ider

    2010-01-01

    During the last four decades there has been a remarkable development in optimization and optimal control. Due to its wide variety of applications, many scientists and researchers have paid attention to fields of optimization and optimal control. A huge number of new theoretical, algorithmic, and computational results have been observed in the last few years. This book gives the latest advances, and due to the rapid development of these fields, there are no other recent publications on the same topics. Key features: Provides a collection of selected contributions giving a state-of-the-art accou

  17. Optimally Stopped Optimization

    Science.gov (United States)

    Vinci, Walter; Lidar, Daniel

    We combine the fields of heuristic optimization and optimal stopping. We propose a strategy for benchmarking randomized optimization algorithms that minimizes the expected total cost for obtaining a good solution with an optimal number of calls to the solver. To do so, rather than letting the objective function alone define a cost to be minimized, we introduce a further cost-per-call of the algorithm. We show that this problem can be formulated using optimal stopping theory. The expected cost is a flexible figure of merit for benchmarking probabilistic solvers that can be computed when the optimal solution is not known, and that avoids the biases and arbitrariness that affect other measures. The optimal stopping formulation of benchmarking directly leads to a real-time, optimal-utilization strategy for probabilistic optimizers with practical impact. We apply our formulation to benchmark the performance of a D-Wave 2X quantum annealer and the HFS solver, a specialized classical heuristic algorithm designed for low tree-width graphs. On a set of frustrated-loop instances with planted solutions defined on up to N = 1098 variables, the D-Wave device is between one to two orders of magnitude faster than the HFS solver.

  18. Synthesis of labeled compounds

    International Nuclear Information System (INIS)

    Whaley, T.W.

    1977-01-01

    Intermediate compounds labeled with 13 C included methane, sodium cyanide, methanol, ethanol, and acetonitrile. A new method for synthesizing 15 N-labeled 4-ethylsulfonyl-1-naphthalene-sulfonamide was developed. Studies were conducted on pathways to oleic-1- 13 C acid and a second pathway investigated was based on carbonation of 8-heptadecynylmagnesium bromide with CO 2 to prepare sterolic acid. Biosynthetic preparations included glucose- 13 C from starch isolated from tobacco leaves following photosynthetic incubation with 13 CO 2 and galactose- 13 C from galactosylglycerol- 13 C from kelp. Research on growth of organisms emphasized photosynthetic growth of algae in which all cellular carbon is labeled. Preliminary experiments were performed to optimize the growth of Escherichia coli on sodium acetate- 13 C

  19. Rubber compounding and processing

    CSIR Research Space (South Africa)

    John, MJ

    2014-06-01

    Full Text Available This chapter presents an overview on the compounding and processing techniques of natural rubber compounds. The introductory portion deals with different types of rubbers and principles of rubber compounding. The primary and secondary fillers used...

  20. Sanskrit Compound Processor

    Science.gov (United States)

    Kumar, Anil; Mittal, Vipul; Kulkarni, Amba

    Sanskrit is very rich in compound formation. Typically a compound does not code the relation between its components explicitly. To understand the meaning of a compound, it is necessary to identify its components, discover the relations between them and finally generate a paraphrase of the compound. In this paper, we discuss the automatic segmentation and type identification of a compound using simple statistics that results from the manually annotated data.

  1. Optimization of on-line hydrogen stable isotope ratio measurements of halogen- and sulfur-bearing organic compounds using elemental analyzer–chromium/high-temperature conversion isotope ratio mass spectrometry (EA-Cr/HTC-IRMS)

    Science.gov (United States)

    Gehre, Matthias; Renpenning, Julian; Geilmann, Heike; Qi, Haiping; Coplen, Tyler B.; Kümmel, Steffen; Ivdra, Natalija; Brand, Willi A.; Schimmelmann, Arndt

    2017-01-01

    Rationale: Accurate hydrogen isotopic analysis of halogen- and sulfur-bearing organics has not been possible with traditional high-temperature conversion (HTC) because the formation of hydrogen-bearing reaction products other than molecular hydrogen (H2) is responsible for non-quantitative H2 yields and possible hydrogen isotopic fractionation. Our previously introduced, new chromium-based EA-Cr/HTC-IRMS (Elemental Analyzer–Chromium/High-Temperature Conversion Isotope Ratio Mass Spectrometry) technique focused primarily on nitrogen-bearing compounds. Several technical and analytical issues concerning halogen- and sulfur-bearing samples, however, remained unresolved and required further refinement of the reactor systems.

  2. Optimization of the Ultrasonic-Assisted Extraction of Phenolic Compounds from Oryza Sativa L. ‘Violet Nori’ and Determination of the Antioxidant Properties of its Caryopses and Leaves

    Directory of Open Access Journals (Sweden)

    Federica Turrini

    2018-04-01

    Full Text Available ‘Violet Nori’ is a new spontaneous growing violet rice variety showing a peculiar violet color in its fresh leaves as well. In this paper, the antioxidant properties and the content of total phenols, radical scavengers, and anthocyanins in ‘Violet Nori’ caryopses, flour, and leaves are explored and compared. Ultrasonic-Assisted Extraction (UAE is employed for the extraction of phenolic compounds, improving the extraction conditions by Design of Experiments (DoE. The obtained results show that the Radical Scavenging Activities (RSAs, the Total Phenolic Contents (TPCs, and the anthocyanin amounts (1000–1500 μg/g, expressed as cyanidin-3-glucoside of ‘Violet Nori’ caryopses are higher than those in the other analyzed colored rice samples (300–900 μg/g as cyanidin-3-glucoside, with the exception of the cultivars ‘Artemide’ and ‘Nerone’, which show comparable values of RSAs and TPCs. The study of ‘Violet Nori’ leaves at different plant maturation stages shows that their anthocyanin content is 2–3 times higher than in the caryopses and in the flour, reaching the highest levels at about 60 days from seeding. Thus, the estimated extraction yield of 4 kg anthocyanins/t makes fresh leaves very interesting for the extraction of anthocyanins on an industrial scale, whereas violet caryopses are a very interesting dietetic source of valuable anthocyanins and other antioxidant compounds.

  3. Bioactive Compounds And Encapsulation Of Yanang ( Tiliacora ...

    African Journals Online (AJOL)

    Furthermore, this paper reports the design of the experimental method for optimization of Yanang encapsulation using three independent variables: the ratio of core material (Yanang), to wall material (gum Arabic), gum Arabic concentration and inlet temperature of spray drying on bioactive compounds stability. The stability ...

  4. High Pressure Scanning Tunneling Microscopy Studies of AdsorbateStructure and Mobility during Catalytic Reactions: Novel Design of anUltra High Pressure, High Temperature Scanning Tunneling MicroscopeSystem for Probing Catalytic Conversions

    Energy Technology Data Exchange (ETDEWEB)

    Tang, David Chi-Wai [Univ. of California, Berkeley, CA (United States)

    2005-05-16

    The aim of the work presented therein is to take advantage of scanning tunneling microscope’s (STM) capability for operation under a variety of environments under real time and at atomic resolution to monitor adsorbate structures and mobility under high pressures, as well as to design a new generation of STM systems that allow imaging in situ at both higher pressures (35 atm) and temperatures (350 °C).

  5. Kinematics of syn- and post-exhumational shear zones at Lago di Cignana (Western Alps, Italy): constraints on the exhumation of Zermatt-Saas (ultra)high-pressure rocks and deformation along the Combin Fault and Dent Blanche Basal Thrust

    Science.gov (United States)

    Kirst, Frederik; Leiss, Bernd

    2017-01-01

    Kinematic analyses of shear zones at Lago di Cignana in the Italian Western Alps were used to constrain the structural evolution of units from the Piemont-Ligurian oceanic realm (Zermatt-Saas and Combin zones) and the Adriatic continental margin (Dent Blanche nappe) during Palaeogene syn- and post-exhumational deformation. Exhumation of Zermatt-Saas (U)HP rocks to approximately lower crustal levels at ca. 39 Ma occurred during normal-sense top-(S)E shearing under epidote-amphibolite-facies conditions. Juxtaposition with the overlying Combin zone along the Combin Fault at mid-crustal levels occurred during greenschist-facies normal-sense top-SE shearing at ca. 38 Ma. The scarcity of top-SE kinematic indicators in the hanging wall of the Combin Fault probably resulted from strain localization along the uppermost Zermatt-Saas zone and obliteration by subsequent deformation. A phase of dominant pure shear deformation around 35 Ma affected units in the direct footwall and hanging wall of the Combin Fault. It is interpreted to reflect NW-SE crustal elongation during updoming of the nappe stack as a result of underthrusting of European continental margin units and the onset of continental collision. This phase was partly accompanied and followed by ductile bulk top-NW shearing, especially at higher structural levels, which transitioned into semi-ductile to brittle normal-sense top-NW deformation due to Vanzone phase folding from ca. 32 Ma onwards. Our structural observations suggest that syn-exhumational deformation is partly preserved within units and shear zones exposed at Lago di Cignana but also that the Combin Fault and Dent Blanche Basal Thrust experienced significant post-exhumational deformation reworking and overprinting earlier structures.

  6. Stable isotopes labelled compounds

    International Nuclear Information System (INIS)

    1982-09-01

    The catalogue on stable isotopes labelled compounds offers deuterium, nitrogen-15, and multiply labelled compounds. It includes: (1) conditions of sale and delivery, (2) the application of stable isotopes, (3) technical information, (4) product specifications, and (5) the complete delivery programme

  7. Unusual bond paths in organolithium compounds

    International Nuclear Information System (INIS)

    Bachrach, S.M.; Ritchie, J.P.

    1986-01-01

    We have applied the topological method to a number of organolithium compounds. The wavefunctions were determined with GAUSSIAN-82 using 3-21G basis set and fully optimized geometries. Gradient paths were obtained using the RHODER package and critical points were located using EXTREME. These results indicate the unusual nature of organolithium compounds. The strange bond paths arise mainly from the ionic nature of the C-Li interaction. We suggest that the term ''bond path'' may best be suited for covalent bonds. 4 figs., 1 tab

  8. Nonlinear optimization

    CERN Document Server

    Ruszczynski, Andrzej

    2011-01-01

    Optimization is one of the most important areas of modern applied mathematics, with applications in fields from engineering and economics to finance, statistics, management science, and medicine. While many books have addressed its various aspects, Nonlinear Optimization is the first comprehensive treatment that will allow graduate students and researchers to understand its modern ideas, principles, and methods within a reasonable time, but without sacrificing mathematical precision. Andrzej Ruszczynski, a leading expert in the optimization of nonlinear stochastic systems, integrates the theory and the methods of nonlinear optimization in a unified, clear, and mathematically rigorous fashion, with detailed and easy-to-follow proofs illustrated by numerous examples and figures. The book covers convex analysis, the theory of optimality conditions, duality theory, and numerical methods for solving unconstrained and constrained optimization problems. It addresses not only classical material but also modern top...

  9. Compounding around the world.

    Science.gov (United States)

    Vail, Jane

    2008-01-01

    Pharmaceutical compounding is universal in its prevalence. Variations in disease patterns, culture, and tradition; the role of government in health care; and the availability of essential equipment and required agents shape a compounding profile unique to each country worldwide. In the following reflections, pharmacists form Argentina, Belgium, Colombia, Germany, Puerto Rico, Spain, and the United States describe their experiences in the compounding setting unique to their practice and their nation. The unifying theme in their comments is the dedication of each contributor to enabling recovery and ensuring the good health of his or her clients.

  10. Website Optimization

    CERN Document Server

    King, Andrew

    2008-01-01

    Remember when an optimized website was one that merely didn't take all day to appear? Times have changed. Today, website optimization can spell the difference between enterprise success and failure, and it takes a lot more know-how to achieve success. This book is a comprehensive guide to the tips, techniques, secrets, standards, and methods of website optimization. From increasing site traffic to maximizing leads, from revving up responsiveness to increasing navigability, from prospect retention to closing more sales, the world of 21st century website optimization is explored, exemplified a

  11. Compound Semiconductor Radiation Detectors

    CERN Document Server

    Owens, Alan

    2012-01-01

    Although elemental semiconductors such as silicon and germanium are standard for energy dispersive spectroscopy in the laboratory, their use for an increasing range of applications is becoming marginalized by their physical limitations, namely the need for ancillary cooling, their modest stopping powers, and radiation intolerance. Compound semiconductors, on the other hand, encompass such a wide range of physical and electronic properties that they have become viable competitors in a number of applications. Compound Semiconductor Radiation Detectors is a consolidated source of information on all aspects of the use of compound semiconductors for radiation detection and measurement. Serious Competitors to Germanium and Silicon Radiation Detectors Wide-gap compound semiconductors offer the ability to operate in a range of hostile thermal and radiation environments while still maintaining sub-keV spectral resolution at X-ray wavelengths. Narrow-gap materials offer the potential of exceeding the spectral resolutio...

  12. Hexavalent Chromium Compounds

    Science.gov (United States)

    Learn about chromium, exposure to which can increase your risk of lung cancer and cancer of the paranasal sinuses and nasal cavity. Hexavalent chromium compounds have been used as corrosion inhibitors in a wide variety of products and processes.

  13. MEA 86 Compound data

    Data.gov (United States)

    U.S. Environmental Protection Agency — This data file contains the full raw parameter data for the 86 compounds tested in the developmental MEA assay, as well as Area Under the Curve (AUC) calculations...

  14. Unlock your Compound Management

    OpenAIRE

    Steffen Eller

    2016-01-01

    Pharmaceutical industry faces the increased demand for innovative medicines against various diseases. In this regard, the compound library in pharmaceutical industry is the most valuable asset. However, the compound distribution from the library into the screening plates is often still done manually and binds highly qualified resources to very time-consuming, tedious and error-prone tasks. To overcome these challenges, Chemspeed launched the first automated true one-to-one gravimetric "pi...

  15. Phenolic Molding Compounds

    Science.gov (United States)

    Koizumi, Koji; Charles, Ted; de Keyser, Hendrik

    Phenolic Molding Compounds continue to exhibit well balanced properties such as heat resistance, chemical resistance, dimensional stability, and creep resistance. They are widely applied in electrical, appliance, small engine, commutator, and automotive applications. As the focus of the automotive industry is weight reduction for greater fuel efficiency, phenolic molding compounds become appealing alternatives to metals. Current market volumes and trends, formulation components and its impact on properties, and a review of common manufacturing methods are presented. Molding processes as well as unique advanced techniques such as high temperature molding, live sprue, and injection/compression technique provide additional benefits in improving the performance characterisitics of phenolic molding compounds. Of special interest are descriptions of some of the latest innovations in automotive components, such as the phenolic intake manifold and valve block for dual clutch transmissions. The chapter also characterizes the most recent developments in new materials, including long glass phenolic molding compounds and carbon fiber reinforced phenolic molding compounds exhibiting a 10-20-fold increase in Charpy impact strength when compared to short fiber filled materials. The role of fatigue testing and fatigue fracture behavior presents some insight into long-term reliability and durability of glass-filled phenolic molding compounds. A section on new technology outlines the important factors to consider in modeling phenolic parts by finite element analysis and flow simulation.

  16. Optimality Conditions in Vector Optimization

    CERN Document Server

    Jiménez, Manuel Arana; Lizana, Antonio Rufián

    2011-01-01

    Vector optimization is continuously needed in several science fields, particularly in economy, business, engineering, physics and mathematics. The evolution of these fields depends, in part, on the improvements in vector optimization in mathematical programming. The aim of this Ebook is to present the latest developments in vector optimization. The contributions have been written by some of the most eminent researchers in this field of mathematical programming. The Ebook is considered essential for researchers and students in this field.

  17. Medicinsk Optimering

    DEFF Research Database (Denmark)

    Birkholm, Klavs

    2010-01-01

    En undersøgelse af anvendelsen af medicin til optimering af koncentration, hukommelse og følelsestonus. Efterfulgt af etiske overvejelser og anbefalinger til det politiske system......En undersøgelse af anvendelsen af medicin til optimering af koncentration, hukommelse og følelsestonus. Efterfulgt af etiske overvejelser og anbefalinger til det politiske system...

  18. Structural optimization

    CERN Document Server

    MacBain, Keith M

    2009-01-01

    Intends to supplement the engineer's box of analysis and design tools making optimization as commonplace as the finite element method in the engineering workplace. This title introduces structural optimization and the methods of nonlinear programming such as Lagrange multipliers, Kuhn-Tucker conditions, and calculus of variations.

  19. Topology Optimization

    DEFF Research Database (Denmark)

    A. Kristensen, Anders Schmidt; Damkilde, Lars

    2007-01-01

    . A way to solve the initial design problem namely finding a form can be solved by so-called topology optimization. The idea is to define a design region and an amount of material. The loads and supports are also fidefined, and the algorithm finds the optimal material distribution. The objective function...... dictates the form, and the designer can choose e.g. maximum stiness, maximum allowable stresses or maximum lowest eigenfrequency. The result of the topology optimization is a relatively coarse map of material layout. This design can be transferred to a CAD system and given the necessary geometrically...... refinements, and then remeshed and reanalysed in other to secure that the design requirements are met correctly. The output of standard topology optimization has seldom well-defined, sharp contours leaving the designer with a tedious interpretation, which often results in less optimal structures. In the paper...

  20. Dispositional Optimism

    Science.gov (United States)

    Carver, Charles S.; Scheier, Michael F.

    2014-01-01

    Optimism is a cognitive construct (expectancies regarding future outcomes) that also relates to motivation: optimistic people exert effort, whereas pessimistic people disengage from effort. Study of optimism began largely in health contexts, finding positive associations between optimism and markers of better psychological and physical health. Physical health effects likely occur through differences in both health-promoting behaviors and physiological concomitants of coping. Recently, the scientific study of optimism has extended to the realm of social relations: new evidence indicates that optimists have better social connections, partly because they work harder at them. In this review, we examine the myriad ways this trait can benefit an individual, and our current understanding of the biological basis of optimism. PMID:24630971

  1. Multi-Phase Equilibrium and Solubilities of Aromatic Compounds and Inorganic Compounds in Sub- and Supercritical Water: A Review.

    Science.gov (United States)

    Liu, Qinli; Ding, Xin; Du, Bowen; Fang, Tao

    2017-11-02

    Supercritical water oxidation (SCWO), as a novel and efficient technology, has been applied to wastewater treatment processes. The use of phase equilibrium data to optimize process parameters can offer a theoretical guidance for designing SCWO processes and reducing the equipment and operating costs. In this work, high-pressure phase equilibrium data for aromatic compounds+water systems and inorganic compounds+water systems are given. Moreover, thermodynamic models, equations of state (EOS) and empirical and semi-empirical approaches are summarized and evaluated. This paper also lists the existing problems of multi-phase equilibria and solubility studies on aromatic compounds and inorganic compounds in sub- and supercritical water.

  2. Fluorine-18 labelled compounds

    International Nuclear Information System (INIS)

    Kleijn, J.P. de

    1978-01-01

    The work presented in this thesis deals with the problems involved in the adaption of reactor-produced fluorine-18 to the synthesis of 18 F-labelled organic fluorine compounds. Several 18 F-labelling reagents were prepared and successfully applied. The limitations to the synthetic possibilities of reactor-produced fluoride- 18 become manifest in the last part of the thesis. An application to the synthesis of labelled aliphatic fluoro amino acids has appeared to be unsuccessful as yet, although some other synthetic approaches can be indicated. Seven journal articles (for which see the availability note) are used to compose the four chapters and three appendices. The connecting text gives a survey of known 18 F-compounds and methods for preparing such compounds. (Auth.)

  3. Portfolio Optimization

    OpenAIRE

    Issagali, Aizhan; Alshimbayeva, Damira; Zhalgas, Aidana

    2015-01-01

    In this paper Portfolio Optimization techniques were used to determine the most favorable investment portfolio. In particular, stock indices of three companies, namely Microsoft Corporation, Christian Dior Fashion House and Shevron Corporation were evaluated. Using this data the amounts invested in each asset when a portfolio is chosen on the efficient frontier were calculated. In addition, the Portfolio with minimum variance, tangency portfolio and optimal Markowitz portfolio are presented.

  4. Chloric organic compound

    International Nuclear Information System (INIS)

    Moalem, F.

    2000-01-01

    Since many years ago, hazardous and toxic refuses which are results of human activities has been carelessly without any Biological and Engineering facts and knowledge discharged into our land and water. The effects of discharging those materials in environment are different. Some of refuse materials shows short and other has long-time adverse effects in our environment, Among hazardous organic chemical materials, chlorine, consider, to be the main element. Organic materials with chlorine is called chlorine hydrocarbon as a hazardous compound. This paper discuss the hazardous materials especially chloric organic compound and their misuse effects in environment and human being

  5. Medicinal gold compounds

    International Nuclear Information System (INIS)

    Parish, R.V.; Cottrill, S.M.

    1987-01-01

    A major use of gold compounds in the pharmaceutical industry is for anti-arthritic agents. The disease itself is not understood and little is known about the way in which the drugs act, but detailed pictures of the distribution of gold in the body are available, and some of the relevant biochemistry is beginning to emerge. The purpose of this article is to give a survey of the types of compounds presently employed in medicine, of the distribution of gold in the body which results from their use, and of some relevant chemistry. Emphasis is placed on results obtained in the last few years

  6. Compound semiconductor device physics

    CERN Document Server

    Tiwari, Sandip

    2013-01-01

    This book provides one of the most rigorous treatments of compound semiconductor device physics yet published. A complete understanding of modern devices requires a working knowledge of low-dimensional physics, the use of statistical methods, and the use of one-, two-, and three-dimensional analytical and numerical analysis techniques. With its systematic and detailed**discussion of these topics, this book is ideal for both the researcher and the student. Although the emphasis of this text is on compound semiconductor devices, many of the principles discussed will also be useful to those inter

  7. Prediction of intermetallic compounds

    International Nuclear Information System (INIS)

    Burkhanov, Gennady S; Kiselyova, N N

    2009-01-01

    The problems of predicting not yet synthesized intermetallic compounds are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is faced with the complexity of presenting multidimensional phase diagrams. One way of predicting new intermetallics with specified properties is the use of modern processing technology with application of teaching of image recognition by the computer. The algorithms used most often in these methods are briefly considered and the efficiency of their use for predicting new compounds is demonstrated.

  8. Compound floating pivot micromechanisms

    Science.gov (United States)

    Garcia, Ernest J.

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  9. The Onium Compounds

    Science.gov (United States)

    Tsarevsky, Nicolay V.; Slaveykova, Vera; Manev, Stefan; Lazarov, Dobri

    1997-06-01

    The onium salts are of a big interest for theoretical and structural chemistry, and for organic synthesis. Some representatives of the group (e.g. ammonium salts) were known from the oldest times. Many onium salts are met the nature: ammonium salts (either as inorganic salts, and organic derivatives, e.g. aminoacids, salts of biogenic amines and alkaloids, etc.); oxonium salts (plant pigments as anthocyans are organic oxonium compounds), etc. In 1894 C. Hartmann and V. Meyer prepared the first iodonium salts - 4-iododiphenyliodonium hydrogensulfate and diphenyliodonium salts, and suggested the ending -onium for all compounds with properties similar to those of ammonium salts. Nowadays onium compounds of almost all nonmetals are synthesised and studied. A great variety of physical methods: diffraction (e.g. XRD) and spectral methods (IR-, NMR-, and UV-spectra), as well as the chemical properties and methods of preparation of onium salts have been used in determination of the structure of these compounds. The application of different onium salts is immense. Ammonium, phosphonium and sulfonium salts are used as phase-transfer catalysts; diazonium salts - for the preparation of dyes, metalochromic and pH-indicators. All the onium salts and especially diazonium and iodonium salts are very useful reagents in organic synthesis.

  10. Forecasting of superconducting compounds

    International Nuclear Information System (INIS)

    Savitskii, E.M.; Gribulya, V.G.; Kiseleva, N.N.

    1981-01-01

    In forecasting new superconducting intermetallic compounds of the A15 and Mo 3 Se types most promising from the viewpoint of high critical temperature Tsub(c), high critical magnetic fields Hsub(c), and high critical currents and in estimating their transition temperature it is proposed to apply cybernetic methods of computer learning

  11. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    A. M. Nasukhova

    2014-01-01

    Full Text Available In article the review of the initial stage of researches of natural polyacetylene compounds is resulted. The high reactionary ability leading to fast oxidation and degradation of these compounds, especially at influence of Uf-light, oxygen of air, pH and other factors, has caused the serious difficulties connected with an establishment of structure and studying of their physical and chemical properties. Therefore the greatest quantity of works of this stage is connected with studying of essential oils of plants from families Apiaceae, Araliaceae, Asteraceae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae where have been found out, basically, diacetylene compounds. About development of physical and chemical methods of the analysis of possibility of similar researches have considerably extended. More than 2000 polyacetylenes are known today, from them more than 1100 are found out in plants fam. Asteraceae. Revolution in the field of molecular biology has allowed to study processes of biosynthesis of these compounds intensively.

  12. Aminopropyl thiophene compounds

    International Nuclear Information System (INIS)

    Goodman, M.M.; Knapp, F.F.

    1990-01-01

    This patent describes radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain

  13. Aminopropyl thiophene compounds

    Science.gov (United States)

    Goodman, Mark M.; Knapp, Jr., Furn F.

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  14. Hyperon compound nucleus

    International Nuclear Information System (INIS)

    Yamazaki, Toshimitsu.

    1987-11-01

    The formation of various hypernuclei from K - absorption at rest is discussed from the viewpoints of compound decay of highly excited hypernuclei in contrast to the direct reaction mechanism. Recent (stopped K - , π) experiments at KEK as well as old data of emulsion and bubble chamber experiments are discussed. Some future direction of hypernuclear spectroscopy is suggested. (author)

  15. Toxicology of perfluorinated compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stahl, Thorsten [Hessian State Laboratory, Wiesbaden (Germany); Mattern, Daniela; Brunn, Hubertus [Hessian State Laboratory, Giessen (Germany)

    2011-12-15

    Perfluorinated compounds [PFCs] have found a wide use in industrial products and processes and in a vast array of consumer products. PFCs are molecules made up of carbon chains to which fluorine atoms are bound. Due to the strength of the carbon/fluorine bond, the molecules are chemically very stable and are highly resistant to biological degradation; therefore, they belong to a class of compounds that tend to persist in the environment. These compounds can bioaccumulate and also undergo biomagnification. Within the class of PFC chemicals, perfluorooctanoic acid and perfluorosulphonic acid are generally considered reference substances. Meanwhile, PFCs can be detected almost ubiquitously, e.g., in water, plants, different kinds of foodstuffs, in animals such as fish, birds, in mammals, as well as in human breast milk and blood. PFCs are proposed as a new class of 'persistent organic pollutants'. Numerous publications allude to the negative effects of PFCs on human health. The following review describes both external and internal exposures to PFCs, the toxicokinetics (uptake, distribution, metabolism, excretion), and the toxicodynamics (acute toxicity, subacute and subchronic toxicities, chronic toxicity including carcinogenesis, genotoxicity and epigenetic effects, reproductive and developmental toxicities, neurotoxicity, effects on the endocrine system, immunotoxicity and potential modes of action, combinational effects, and epidemiological studies on perfluorinated compounds). (orig.)

  16. Chemical compounds in teak

    Directory of Open Access Journals (Sweden)

    Fernanda Viana da Silva Leonardo

    2015-09-01

    Full Text Available Quinone compounds are largely generated at extractive fraction of the woods in a complex and variable biological system. The literature has indications for many segments from food industry to pharmaceutical industry. Within the field of industrial use of wood, they are less desirable since they are treated only as incidental substances in production strings of pulp, paper, charcoal, and sawmill. In spite of its small amount, compared to other chemical compounds called essential, these substances have received special attention from researchers revealing a diverse range of offerings to market products textiles, pharmaceuticals, colorants, and other polymers, for which are being tested and employed. Quinones are found in fungi, lichens, and mostly in higher plants. Tectona grandis, usually called teak, is able to biosynthesize anthraquinones, which is a quinone compound, byproduct of secondary metabolism. This species provides wood that is much prized in the furniture sector and can also be exploited for metabolites to supply the market in quinone compounds and commercial development of new technologies, adding value to the plantations of this species within our country.

  17. Selenium-75-labelled foliate compounds

    International Nuclear Information System (INIS)

    1974-01-01

    A saturation method to analyze a foliate is presented; it uses competitive reaction of the compound to be measured and of a radioactive-labelled version of this compound with a reagent specific to this compound present in insufficient quantity to combine with the whole of the compound and its labelled version, separation of the bound compound from its non-bound homologue and measurement of the radioactivity concentration in the bound compound, the non-bound compound or both. The radioactive isotope used in the labelled foliate is selenium 75 [fr

  18. Radiological optimization

    International Nuclear Information System (INIS)

    Zeevaert, T.

    1998-01-01

    Radiological optimization is one of the basic principles in each radiation-protection system and it is a basic requirement in the safety standards for radiation protection in the European Communities. The objectives of the research, performed in this field at the Belgian Nuclear Research Centre SCK-CEN, are: (1) to implement the ALARA principles in activities with radiological consequences; (2) to develop methodologies for optimization techniques in decision-aiding; (3) to optimize radiological assessment models by validation and intercomparison; (4) to improve methods to assess in real time the radiological hazards in the environment in case of an accident; (5) to develop methods and programmes to assist decision-makers during a nuclear emergency; (6) to support the policy of radioactive waste management authorities in the field of radiation protection; (7) to investigate existing software programmes in the domain of multi criteria analysis. The main achievements for 1997 are given

  19. Unconstrained Optimization

    DEFF Research Database (Denmark)

    Frandsen, P. E.; Jonasson, K.; Nielsen, Hans Bruun

    1999-01-01

    This lecture note is intended for use in the course 04212 Optimization and Data Fitting at the Technincal University of Denmark. It covers about 25% of the curriculum. Hopefully, the note may be useful also to interested persons not participating in that course. The aim of the note is to give...... an introduction to algorithms for unconstrained optimization. We present Conjugate Gradient, Damped Newton and Quasi Newton methods together with the relevant theoretical background. The reader is assumed to be familiar with algorithms for solving linear and nonlinear system of equations, at a level corresponding...

  20. Compound semiconductor device modelling

    CERN Document Server

    Miles, Robert

    1993-01-01

    Compound semiconductor devices form the foundation of solid-state microwave and optoelectronic technologies used in many modern communication systems. In common with their low frequency counterparts, these devices are often represented using equivalent circuit models, but it is often necessary to resort to physical models in order to gain insight into the detailed operation of compound semiconductor devices. Many of the earliest physical models were indeed developed to understand the 'unusual' phenomena which occur at high frequencies. Such was the case with the Gunn and IMPATI diodes, which led to an increased interest in using numerical simulation methods. Contemporary devices often have feature sizes so small that they no longer operate within the familiar traditional framework, and hot electron or even quantum­ mechanical models are required. The need for accurate and efficient models suitable for computer aided design has increased with the demand for a wider range of integrated devices for operation at...

  1. Tripolar Mesoionic Compounds

    OpenAIRE

    Shuki, Araki; Jiro, Mizuya; Naomitsu, Aoyama; Yasuo, Butsugan

    1995-01-01

    Tripolar mesoionic compounds have been synthesized by the reaction of (1,3-diphenyltetrazol-5-ylio)cyclopentadienide (or -indenide) with the dicationic ether salts derived from mesoionic olates and trifluoromethanesulfonic anhydride. The structures of the newly prepared mesoionic systems are discussed on the basis of spectroscopic analysis; it is shown that the tripolar [tetrazolium-cyclopentadienide (or indenide)-tetrazolium] canonical structure contributes significantly to the ground state ...

  2. Oligosilanylated Antimony Compounds

    OpenAIRE

    Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; M?ller, Thomas; Baumgartner, Judith; Marschner, Christoph

    2015-01-01

    By reactions of magnesium oligosilanides with SbCl3, a number of oligosilanylated antimony compounds were obtained. When oligosilanyl dianions were used, either the expected cyclic disilylated halostibine was obtained or alternatively the formation of a distibine was observed. Deliberate formation of the distibine from the disilylated halostibine was achieved by reductive coupling with C8K. Computational studies of Sb?Sb bond energies, barriers of pyramidal inversion at Sb, and the conformati...

  3. Labelled compounds. (Pt. B)

    International Nuclear Information System (INIS)

    Buncel, E.; Jones, J.R.

    1991-01-01

    Since the end of World War II there has been a tremendous increase in the number of compounds that have been synthesized with radioactive or stable isotopes. They have found application in many diverse fields, so much so, that hardly a single area in pure and applied science has not benefited. Not surprisingly it has been reflected in appearance of related publications. The early proceedings of the Symposia on Advances in Trace Methodology were soon followed by various Euratom sponsored meetings in which methods of preparing and storing labelled compounds featured prominently. In due course a resurgence of interest in stable isotopes, brought about by their greater availability (also lower cost) and partly by development of new techniques such as gas chromatography - mass spectrometry (gc-ms), led to the publication of proceedings of several successful conferences. More recently conferences dealing with the synthesis and applications of isotopes and isotopically labelled compounds have been established on a regular basis. In addition to the proceedings of conferences and journal publications individuals left their mark by producing definitive texts, usually on specific nuclides. Only the classic two volume publication of Murray and Williams (Organic syntheses with isotopes, New York 1985), now over 30 years old and out of print, attempted to do justice to several nuclides. With the large amount of work that has been undertaken since then it seems unlikely that an updated edition could be produced. The alternative strategy was to ask scientists currently active to review specific areas and this is the approach adopted in the present series of monographs. In this way it is intended to cover the broad advances that have been made in the synthesis and applications of isotopes and isotopically labelled compounds in the physical and biomedical sciences. (author). refs.; figs.; tabs

  4. Process for compound transformation

    KAUST Repository

    Basset, Jean-Marie

    2016-12-29

    Embodiments of the present disclosure provide for methods of using a catalytic system to chemically transform a compound (e.g., a hydrocarbon). In an embodiment, the method does not employ grafting the catalyst prior to catalysis. In particular, embodiments of the present disclosure provide for a process of hydrocarbon (e.g., C1 to C20 hydrocarbon) metathesis (e.g., alkane, olefin, or alkyne metathesis) transformation, where the process can be conducted without employing grafting prior to catalysis.

  5. Compound Semiconductor Radiation Detector

    International Nuclear Information System (INIS)

    Kim, Y. K.; Park, S. H.; Lee, W. G.; Ha, J. H.

    2005-01-01

    In 1945, Van Heerden measured α, β and γ radiations with the cooled AgCl crystal. It was the first radiation measurement using the compound semiconductor detector. Since then the compound semiconductor has been extensively studied as radiation detector. Generally the radiation detector can be divided into the gas detector, the scintillator and the semiconductor detector. The semiconductor detector has good points comparing to other radiation detectors. Since the density of the semiconductor detector is higher than that of the gas detector, the semiconductor detector can be made with the compact size to measure the high energy radiation. In the scintillator, the radiation is measured with the two-step process. That is, the radiation is converted into the photons, which are changed into electrons by a photo-detector, inside the scintillator. However in the semiconductor radiation detector, the radiation is measured only with the one-step process. The electron-hole pairs are generated from the radiation interaction inside the semiconductor detector, and these electrons and charged ions are directly collected to get the signal. The energy resolution of the semiconductor detector is generally better than that of the scintillator. At present, the commonly used semiconductors as the radiation detector are Si and Ge. However, these semiconductor detectors have weak points. That is, one needs thick material to measure the high energy radiation because of the relatively low atomic number of the composite material. In Ge case, the dark current of the detector is large at room temperature because of the small band-gap energy. Recently the compound semiconductor detectors have been extensively studied to overcome these problems. In this paper, we will briefly summarize the recent research topics about the compound semiconductor detector. We will introduce the research activities of our group, too

  6. Bronzes and relative compounds

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    Preparation and the crystal structure of bronzes based on complex oxides of transition (Ti, V, Nb, Ta, Mo, W, Re, Ru and etc.) and alkali metals, as well as oxides of some other elements (Sr, In, La and etc.) are described. Peculiarities of formation of the structure of tetragonal, tungsten, molybdenum, vanadium bronzes and their analogs depending on the chemical composition of these compounds are considered

  7. Optimal transport

    CERN Document Server

    Eckmann, B

    2008-01-01

    At the close of the 1980s, the independent contributions of Yann Brenier, Mike Cullen and John Mather launched a revolution in the venerable field of optimal transport founded by G Monge in the 18th century, which has made breathtaking forays into various other domains of mathematics ever since. The author presents a broad overview of this area.

  8. Topology optimization

    DEFF Research Database (Denmark)

    Bendsøe, Martin P.; Sigmund, Ole

    2007-01-01

    Taking as a starting point a design case for a compliant mechanism (a force inverter), the fundamental elements of topology optimization are described. The basis for the developments is a FEM format for this design problem and emphasis is given to the parameterization of design as a raster image...

  9. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Shlomo Shamai (Shitz

    2009-01-01

    Full Text Available This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom (s.d.o.f. are derived for the degraded case with one receiver. Schemes to achieve the s.d.o.f. for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable s.d.o.f. is given for the general case.

  10. Antifungal compounds from cyanobacteria.

    Science.gov (United States)

    Shishido, Tânia K; Humisto, Anu; Jokela, Jouni; Liu, Liwei; Wahlsten, Matti; Tamrakar, Anisha; Fewer, David P; Permi, Perttu; Andreote, Ana P D; Fiore, Marli F; Sivonen, Kaarina

    2015-04-13

    Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  11. Toxic compounds in honey.

    Science.gov (United States)

    Islam, Md Nazmul; Khalil, Md Ibrahim; Islam, Md Asiful; Gan, Siew Hua

    2014-07-01

    There is a wealth of information about the nutritional and medicinal properties of honey. However, honey may contain compounds that may lead to toxicity. A compound not naturally present in honey, named 5-hydroxymethylfurfural (HMF), may be formed during the heating or preservation processes of honey. HMF has gained much interest, as it is commonly detected in honey samples, especially samples that have been stored for a long time. HMF is a compound that may be mutagenic, carcinogenic and cytotoxic. It has also been reported that honey can be contaminated with heavy metals such as lead, arsenic, mercury and cadmium. Honey produced from the nectar of Rhododendron ponticum contains alkaloids that can be poisonous to humans, while honey collected from Andromeda flowers contains grayanotoxins, which can cause paralysis of limbs in humans and eventually leads to death. In addition, Melicope ternata and Coriaria arborea from New Zealand produce toxic honey that can be fatal. There are reports that honey is not safe to be consumed when it is collected from Datura plants (from Mexico and Hungary), belladonna flowers and Hyoscamus niger plants (from Hungary), Serjania lethalis (from Brazil), Gelsemium sempervirens (from the American Southwest), Kalmia latifolia, Tripetalia paniculata and Ledum palustre. Although the symptoms of poisoning due to honey consumption may differ depending on the source of toxins, most common symptoms generally include dizziness, nausea, vomiting, convulsions, headache, palpitations or even death. It has been suggested that honey should not be considered a completely safe food. Copyright © 2013 John Wiley & Sons, Ltd.

  12. Antifungal Compounds from Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Tânia K. Shishido

    2015-04-01

    Full Text Available Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  13. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Kramer Gerhard

    2009-01-01

    Full Text Available Abstract This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom ( are derived for the degraded case with one receiver. Schemes to achieve the for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable is given for the general case.

  14. Nomenclature on an inorganic compound

    International Nuclear Information System (INIS)

    1998-10-01

    This book contains eleven chapters : which mention nomenclature of an inorganic compound with introduction and general principle on nomenclature of compound. It gives the description of grammar for nomenclature such as brackets, diagonal line, asterisk, and affix, element, atom and groups of atom, chemical formula, naming by stoichiometry, solid, neutral molecule compound, ion, a substituent, radical and name of salt, oxo acid and anion on introduction and definition of oxo acid, coordination compound like symbol of stereochemistry , boron and hydrogen compound and related compound.

  15. Numerical Optimization Using Desktop Computers

    Science.gov (United States)

    1980-09-11

    geophysical, optical and economic analysis to compute a life-cycle cost for a design with a stated energy capacity. NISCO stands for NonImaging ...more efficiently by nonimaging optical systems than by conventional image forming systems. The methodology of designing optimized ronimaging systems...compound parabolic concentrating iWelford, W. T. and Winston, R., The Optics of Nonimaging Concentrators, Light and Solar Energy, p. ix, Academic

  16. Carbohydrate degradation mechanisms and compounds from pretreated biomass

    DEFF Research Database (Denmark)

    Rasmussen, Helena

    The formation of inhibitors during pretreatment of lignocellulosic feedstocks is a persistent problem, and notably the compounds that retard enzymatic cellulose conversion represent an obstacle for achieving optimal enzymatic productivity and high glucose yields. Compounds with many chemical...... pretreated wheat straw after enzymatic treatment. It was found that formation of the oligophenolic degradation compounds were common across biomass sources as sugar cane bagasse and oil palm empty fruit bunches. These findings were in line with that the oligophenolic compounds arise from reactions involving...... functionalities are formed during biomass pretreatment, which gives possibilities for various chemical reactions to take place and hence formation of many new potential inhibitor compounds. This somehow overlooked contemplation formed the basis for the main hypothesis investigated in this work: Hypothesis 1...

  17. Degradation of air polluted by organic compounds

    International Nuclear Information System (INIS)

    Santoyo O, E.L.; Lizama S, B.E.; Vazquez A, O.; Luna C, P.C.; Arredondo H, S.

    1999-01-01

    According to the Mexican standard NOM-010-STPS-1994 it has been established concentrations of maximum permissible levels in workable air for styrene in the range 420-1710 mg/m 3 and for xylene between 218-870 mg/m 3 . In this work it is studied a biological treatment (bio filtration) for air polluted by xylene and styrene where the microorganisms are adhered at synthetic fiber, these degrade to the organic compounds that across in gaseous state and they are mineralized toward CO 2 and H 2 O. The characteristics of temperature, p H, concentration of organic compound and mineral parameters, as well as, the biomass quantity have been optimized for that bio filters efficiency were greater than those reported in other works. (Author)

  18. Competitive Analysis for Online Leasing Problem with Compound Interest Rate

    OpenAIRE

    Yang, Xingyu; Zhang, Weiguo; Xu, Weijun; Zhang, Yong

    2011-01-01

    We introduce the compound interest rate into the continuous version of the online leasing problem and discuss the generalized model by competitive analysis. On the one hand, the optimal deterministic strategy and its competitive ratio are obtained; on the other hand, a nearly optimal randomized strategy is constructed and a lower bound for the randomized competitive ratios is proved by Yao's principle. With the help of numerical examples, the theoretical results show that the interest rate pu...

  19. Optimal control

    CERN Document Server

    Aschepkov, Leonid T; Kim, Taekyun; Agarwal, Ravi P

    2016-01-01

    This book is based on lectures from a one-year course at the Far Eastern Federal University (Vladivostok, Russia) as well as on workshops on optimal control offered to students at various mathematical departments at the university level. The main themes of the theory of linear and nonlinear systems are considered, including the basic problem of establishing the necessary and sufficient conditions of optimal processes. In the first part of the course, the theory of linear control systems is constructed on the basis of the separation theorem and the concept of a reachability set. The authors prove the closure of a reachability set in the class of piecewise continuous controls, and the problems of controllability, observability, identification, performance and terminal control are also considered. The second part of the course is devoted to nonlinear control systems. Using the method of variations and the Lagrange multipliers rule of nonlinear problems, the authors prove the Pontryagin maximum principle for prob...

  20. Offset Compound Gear Drive

    Science.gov (United States)

    Stevens, Mark A.; Handschuh, Robert F.; Lewicki, David G.

    2010-01-01

    The Offset Compound Gear Drive is an in-line, discrete, two-speed device utilizing a special offset compound gear that has both an internal tooth configuration on the input end and external tooth configuration on the output end, thus allowing it to mesh in series, simultaneously, with both a smaller external tooth input gear and a larger internal tooth output gear. This unique geometry and offset axis permits the compound gear to mesh with the smaller diameter input gear and the larger diameter output gear, both of which are on the same central, or primary, centerline. This configuration results in a compact in-line reduction gear set consisting of fewer gears and bearings than a conventional planetary gear train. Switching between the two output ratios is accomplished through a main control clutch and sprag. Power flow to the above is transmitted through concentric power paths. Low-speed operation is accomplished in two meshes. For the purpose of illustrating the low-speed output operation, the following example pitch diameters are given. A 5.0 pitch diameter (PD) input gear to 7.50 PD (internal tooth) intermediate gear (0.667 reduction mesh), and a 7.50 PD (external tooth) intermediate gear to a 10.00 PD output gear (0.750 reduction mesh). Note that it is not required that the intermediate gears on the offset axis be of the same diameter. For this example, the resultant low-speed ratio is 2:1 (output speed = 0.500; product of stage one 0.667 reduction and stage two 0.750 stage reduction). The design is not restricted to the example pitch diameters, or output ratio. From the output gear, power is transmitted through a hollow drive shaft, which, in turn, drives a sprag during which time the main clutch is disengaged.

  1. Toxicology of alkylmercury compounds.

    Science.gov (United States)

    Aschner, Michael; Onishchenko, Natalia; Ceccatelli, Sandra

    2010-01-01

    Methylmercury is a global pollutant and potent neurotoxin whose abundance in the food chain mandates additional studies on the consequences and mechanisms of its toxicity to the central nervous system. Formulation of our new hypotheses was predicated on our appreciation for (a) the remarkable affinity of mercurials for the anionic form of sulfhydryl (-SH) groups, and (b) the essential role of thiols in protein biochemistry. The present chapter addresses pathways to human exposure of various mercury compounds, highlighting their neurotoxicity and potential involvement in neurotoxic injury and neurodegenerative changes, both in the developing and senescent brain. Mechanisms that trigger these effects are discussed in detail.

  2. Compound composite odontoma

    Directory of Open Access Journals (Sweden)

    S Kailasam

    2012-01-01

    Full Text Available Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. Frequently, it may interfere with the eruption of the teeth. This is a case report of a compound composite odontoma in a 10-year-old girl, which results in failure of eruption of the permanent upper right central incisor while the contralateral tooth had erupted. A calcified mass was seen in the radiograph and was provisionally diagnosed as odontoma following which the odontoma was enucleated. Routine follow-up was done for more than a year and no recurrence was seen. This case report indicates that early diagnosis and management ensures better prognosis.

  3. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    . This selection of strains was used in fermentations with the aim of identifying new interesting flavour producers. Fermentation profiles, volatile analyses, off-flavour identification and resistance to osmotic/oxidative stress have been addressed to highlight new candidates to use for industrial applications....... This resulted in the identification of Wickerhamomyces anomalus and Pichia kluyveri as high producers of esters fruity compounds, which contribute to enhance the complexity of wine and beer product. In addition the strain Debaromyces subglobosus showed high yields of aldehydes and fruity ketones, which...

  4. Antifouling Compounds from Marine Invertebrates.

    Science.gov (United States)

    Qi, Shu-Hua; Ma, Xuan

    2017-08-28

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  5. Antifouling Compounds from Marine Invertebrates

    OpenAIRE

    Qi, Shu-Hua; Ma, Xuan

    2017-01-01

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  6. Chemical predictive modelling to improve compound quality.

    Science.gov (United States)

    Cumming, John G; Davis, Andrew M; Muresan, Sorel; Haeberlein, Markus; Chen, Hongming

    2013-12-01

    The 'quality' of small-molecule drug candidates, encompassing aspects including their potency, selectivity and ADMET (absorption, distribution, metabolism, excretion and toxicity) characteristics, is a key factor influencing the chances of success in clinical trials. Importantly, such characteristics are under the control of chemists during the identification and optimization of lead compounds. Here, we discuss the application of computational methods, particularly quantitative structure-activity relationships (QSARs), in guiding the selection of higher-quality drug candidates, as well as cultural factors that may have affected their use and impact.

  7. Catalytic properties of niobium compounds

    International Nuclear Information System (INIS)

    Tanabe, K.; Iizuka, T.

    1983-04-01

    The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author) [pt

  8. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  9. Organometallic compounds in the environment

    National Research Council Canada - National Science Library

    Craig, P. J

    2003-01-01

    ... of Organometallic Species in the Environment 20 1.10 Stability of Organometallic Compounds in Biological Systems 1.11 G eneral Comments on the Toxicities of Organometallic Compounds 22 1.12 General Considerations on Environmental R eactivity of Organometallic Compounds 24 1.13 Microbial Biotransformation of Metals and M etalloids 25 1.13.1 Introduction 25 1...

  10. Goldenphilicity: Luminescent gold compounds

    International Nuclear Information System (INIS)

    Sansores, L.E.

    2002-01-01

    In the solids and molecules different types of bonds are presented depending on the involved atoms, covalent bonds are common among elements of open shell, where more bond orbitals are filled than anti bond orbitals. It is expected that ionic bonds among closed shell atoms which have charges of opposite sign. Bonds type Van der Waals are presented among molecules which have a bipolar moment. It would not be expected bonds among zero charge species, or more generally with the same nominal charge and in any case the attractive forces would be very small. In fact it is expected that two metallic cations to be repelled each other. There recently is evidence that in organic or organometallic compounds could exist attractive interactions between two cations of the d 8 -d 10 -s 2 families. These bonds are weak but stronger than those of Van der Waals. They are compared with the hydrogen bonds. In this work it was reviewed some examples in which the goldenphilicity plays an important role in the luminescence that the gold complexes present. Examples of mono, bi and trinuclear and the structures that these organometallic compounds could take are examined. (Author)

  11. Discrete optimization

    CERN Document Server

    Parker, R Gary

    1988-01-01

    This book treats the fundamental issues and algorithmic strategies emerging as the core of the discipline of discrete optimization in a comprehensive and rigorous fashion. Following an introductory chapter on computational complexity, the basic algorithmic results for the two major models of polynomial algorithms are introduced--models using matroids and linear programming. Further chapters treat the major non-polynomial algorithms: branch-and-bound and cutting planes. The text concludes with a chapter on heuristic algorithms.Several appendixes are included which review the fundamental ideas o

  12. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R

    1961-01-01

    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  13. Topological Derivatives in Shape Optimization

    CERN Document Server

    Novotny, Antonio André

    2013-01-01

    The topological derivative is defined as the first term (correction) of the asymptotic expansion of a given shape functional with respect to a small parameter that measures the size of singular domain perturbations, such as holes, inclusions, defects, source-terms and cracks. Over the last decade, topological asymptotic analysis has become a broad, rich and fascinating research area from both theoretical and numerical standpoints. It has applications in many different fields such as shape and topology optimization, inverse problems, imaging processing and mechanical modeling including synthesis and/or optimal design of microstructures, sensitivity analysis in fracture mechanics and damage evolution modeling. Since there is no monograph on the subject at present, the authors provide here the first account of the theory which combines classical sensitivity analysis in shape optimization with asymptotic analysis by means of compound asymptotic expansions for elliptic boundary value problems. This book is intende...

  14. Limits for the release of uranium compounds to the environment

    International Nuclear Information System (INIS)

    Lopez, F.; Ferruz, P.; Aguayo, A.

    1987-01-01

    A conservative criteria to be be followed by a Regulatory Body, in order to provide the limits of radioactive material release in the environment, When all the parameters are not available for the optimization of radiation protection is presented. This criteria can be applied to stablishment of radioactive release limits for uranium compounds from the nuclear fuel cycle facilities. (author)

  15. Volatile organic compounds

    International Nuclear Information System (INIS)

    Silseth, May Liss

    1998-01-01

    The goal is: Not more emission of volatile organic compounds (VOCs) than necessary. The items discussed in this presentation are the VOCs, how to calculate emission of VOCs, how to reduce or avoid them, and different recovery processes. The largest source of Norwegian emissions of non methane VOCs (NMVOCs) is offshore loading of raw petroleum. Emissions of VOCs should be reduced mainly for two reasons: (1) on sunny days NMVOCs may react with NOx to form ozon and smog close to the surface, (2) ozone and smog close to the surface may be harmful to plants and animals, and they are hazardous to human health. As for the calculation of VOC emissions, the VOCON project will release the calculation program HCGASS in 1999. This project is a cooperative project headed by SINTEF/Marintek

  16. Deposition of acidifying compounds

    International Nuclear Information System (INIS)

    Fowler, D.; Cape, J.N.; Sutton, M.A.; Mourne, R.; Hargreaves, K.J.; Duyzer, J.H.; Gallagher, M.W.

    1992-01-01

    Inputs of acidifying compounds to terrestrial ecosystems include deposition of the gases NO 2 , NO, HNO 2 , HNO 3 , NH 3 and SO 2 and the ions NO 3- , NH 4+ , SO 4 2- and H + in precipitation, cloud droplets and particles. Recent research has identified particular ecosystems and regions in which terrestrial effects are closely linked with specific deposition processes. This review paper identifies areas in which important developments have occurred during the last five years and attempts to show which aspects of the subject are most important for policy makers. Amongst the conclusions drawn, the authors advise that current uncertainties in estimates of S and N inputs by dry deposition should be incorporated in critical load calculations, and that, in regions dominated by wet deposition, spatial resolution of total inputs should be improved to match the current scales of information on landscape sensitivity to acidic inputs. 44 refs., 9 figs

  17. Total Synthesis of Marine Cyclic Enol-Phosphotriester Salinipostin Compounds

    Science.gov (United States)

    Zhao, Mingliang; Wei, Xianfeng; Liu, Xuemeng; Dong, Xueyang; Yu, Rilei; Wan, Shengbiao; Jiang, Tao

    2018-06-01

    Due to their structural diversity and variety of biological activities, marine natural products have been the subject of extensive study. These compounds, especially phospholipid polycyclic aromatic hydrocarbons, have a wide range of pharmacological applications, including embedded DNA and central nervous system, anti-tumor, anti-virus, anti-parasite, anti-bacterial, and antithrombotic effects. Unfortunately, the insufficient drug sources have limited the development of these compounds. In this study, we isolated salinpostin compounds from a fermentation solution of marine-derived Salinospora sp., which has a common bicyclic enol-phosphotriester core framework, as well as potent and selective antimalarial activities against P. falciparum with EC50 = 50 nmol L-1. The chemical synthesis of these compounds in greater quantities is necessary for their use in bioactivity studies. Thus we explored a short route with high yields and mild reaction conditions, which can generate combinatorial libraries for drug discovery and lead optimization. We developed a new total synthesis method for six cyclic enol-phosphotriester salinipotin compounds and their diastereomers. For the total synthesis of cyclipostin P, we prepared cyclic enol-phosphotriester salinipostin compounds in 10 steps from a readily accessible starting material, 1,3-dihydroxyacetone, and obtained an overall yield of 1.29%. We fully characterized these compounds by proton nuclear magnetic resonance (1H-NMR), carbon-13 NMR (13C-NMR), and high-resolution mass spectrometry (HRMS) analyses, and found they coincide absolutely with the same compounds reported previously.

  18. Special Heusler compounds for spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Balke, B.

    2007-07-01

    This work emphasizes the potential of Heusler compounds in a wide range of spintronic applications. Using electronic structure calculations it is possible to design compounds for specific applications. Examples for GMR and TMR applications, for spin injection into semiconductors, and for spin torque transfer applications will be shown. After a detailed introduction about spintronics and related materials chapter 5 reports about the investigation of new half-metallic compounds where the Fermi energy is tuned in the middle of the gap to result in more stable compounds for GMR and TMR applications. The bulk properties of the quaternary Heusler alloy Co{sub 2}Mn{sub 1-x}Fe{sub x}Si with the Fe concentration ranging from x=0 to 1 are reported and the results suggest that the best candidate for applications may be found at an iron concentration of about 50%. Due to the effect that in the Co{sub 2}Mn{sub 1-x}Fe{sub x}Si series the transition metal carrying the localized moment is exchanged and this might lead to unexpected effects on the magnetic properties if the samples are not completely homogeneous chapter 6 reports about the optimization of the Heusler compounds for GMR and TMR applications. The structural and magnetic properties of the quaternary Heusler alloy Co{sub 2}FeAl{sub 1-x}Si{sub x} with varying Si concentration are reported. From the combination of experimental (better order for high Si content) and theoretical findings (robust gap at x=0.5) it is concluded that a compound with an intermediate Si concentration close to x=0.5-0.7 would be best suited for spintronic applications, especially for GMR and TMR applications. In chapter 7 the detailed investigation of compounds for spin injection into semiconductors is reported. It is shown that the diluted magnetic semiconductors based on CoTiSb with a very low lattice mismatch among each other are interesting materials for spintronics applications like Spin-LEDs or other spin injection devices. Chapter 8 refers

  19. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors.

    Science.gov (United States)

    Akwi, Faith M; Watts, Paul

    2016-01-01

    In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 minutes and a small library of azo compounds was thus generated under these reaction conditions from couplers with aminated or hydroxylated aromatic systems. The scaled up synthesis of these compounds in PTFE tubing (i.d. 1.5 mm) was also investigated, where good reaction conversions ranging between 66-91% were attained.

  20. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors

    Directory of Open Access Journals (Sweden)

    Faith M. Akwi

    2016-09-01

    Full Text Available In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 minutes and a small library of azo compounds was thus generated under these reaction conditions from couplers with aminated or hydroxylated aromatic systems. The scaled up synthesis of these compounds in PTFE tubing (i.d. 1.5 mm was also investigated, where good reaction conversions ranging between 66–91% were attained.

  1. Statistical optimization of cultural conditions by response surface ...

    African Journals Online (AJOL)

    STORAGESEVER

    2009-08-04

    Aug 4, 2009 ... Full Length Research Paper. Statistical optimization of cultural conditions by response surface methodology for phenol degradation by a novel ... Phenol is a hydrocarbon compound that is highly toxic, ... Microorganism.

  2. Technology developments for a compound cycle engine

    Science.gov (United States)

    Bobula, George A.; Wintucky, William T.; Castor, J. G.

    1988-01-01

    The Compound Cycle Engine (CCE) is a highly turbocharged, power compounded power plant which combines the light weight pressure rise capability of a gas turbine with the high efficiency of a diesel. When optimized for a rotorcraft, the CCE will reduce fuel burned for a typical 2 hour (plus 30 min reserve) mission by 30 to 40 percent when compared to a conventional advanced technology gas turbine. The CCE can provide a 50 percent increase in range-payload product on this mission. Results of recent activities in a program to establish the technology base for a CCE are presented. The objective of this program is to research and develop those critical technologies which are necessary for the demonstration of a multicylinder diesel core in the early 1990s. A major accomplishment was the initial screening and identification of a lubricant which has potential for meeting the material wear rate limits of the application. An in-situ wear measurement system also was developed to provide accurate, readily obtainable, real time measurements of ring and liner wear. Wear data, from early single cylinder engine tests, are presented to show correlation of the in-situ measurements and the system's utility in determining parametric wear trends. A plan to demonstrate a compound cycle engine by the mid 1990s is included.

  3. TSTA compound cryopump

    International Nuclear Information System (INIS)

    Batzer, T.H.; Patrick, R.E.; Call, W.R.

    1980-01-01

    The Tritium System Test Assembly (TSTA), at the Los Alamos Scientific Laboratory, is intended to demonstrate realistic fuel supply and cleanup scenarios for future fusion reactors. The vacuum pumps must be capable of handling large quantities of reactor exhaust gases consisting largely of mixtures of hydrogen and helium isotopes. Cryocondensing pumps will not pump helium at 4.2 K; while cryosorption pumps using molecular sieves or charcoal have good helium pumping speed, the adsorbent clogs with condensed hydrogen while pumping mixtures of both. A solution to this problem is a compound design whereby the first stage condenses the hydrogen and the second, or sorption, stage pumps the helium. The TSTA pump designed at Lawrence Livermore National Laboratory uses argon gas to cryotrap the helium in the helium-hydrogen mixture. The argon is sprayed directly onto the 4.2 K surface at a rate proportional to the helium flow rate, permitting continuous pumping of the helium-hydrogen mixtures in a single-stage pump. However, the possibility of differential desorption as a first stage in the TSTA gas separation cycle required the inclusion of a first-stage hydrogen isotope condenser. The design, performance, and operating characteristics are discussed

  4. Pluto's Nonvolatile Chemical Compounds

    Science.gov (United States)

    Grundy, William M.; Binzel, Richard; Cook, Jason C.; Cruikshank, Dale P.; Dalle Ore, Cristina M.; Earle, Alissa M.; Ennico, Kimberly; Jennings, Donald; Howett, Carly; Kaiser, Ralf-Ingo; Linscott, Ivan; Lunsford, A. W.; Olkin, Catherine B.; Parker, Alex Harrison; Parker, Joel Wm.; Philippe, Sylvain; Protopapa, Silvia; Quirico, Eric; Reuter, D. C.; Schmitt, Bernard; Singer, Kelsi N.; Spencer, John R.; Stansberry, John A.; Stern, S. Alan; Tsang, Constantine; Verbiscer, Anne J.; Weaver, Harold A.; Weigle, G. E.; Young, Leslie

    2016-10-01

    Despite the migration of Pluto's volatile ices (N2, CO, and CH4) around the surface on seasonal timescales, the planet's non-volatile materials are not completely hidden from view. They occur in a variety of provinces formed over a wide range of timescales, including rugged mountains and chasms, the floors of mid-latitude craters, and an equatorial belt of especially dark and reddish material typified by the informally named Cthulhu Regio. NASA's New Horizons probe observed several of these regions at spatial resolutions as fine as 3 km/pixel with its LEISA imaging spectrometer, covering wavelengths from 1.25 to 2.5 microns. Various compounds that are much lighter than the tholin-like macromolecules responsible for the reddish coloration, but that are not volatile at Pluto surface temperatures such as methanol (CH3OH) and ethane (C2H6) have characteristic absorption bands within LEISA's wavelength range. This presentation will describe their geographic distributions and attempt to constrain their origins. Possibilities include an inheritance from Pluto's primordial composition (the likely source of H2O ice seen on Pluto's surface) or ongoing production from volatile precursors through photochemistry in Pluto's atmosphere or through radiolysis on Pluto's surface. New laboratory data inform the analysis.This work was supported by NASA's New Horizons project.

  5. [SIAM conference on optimization

    Energy Technology Data Exchange (ETDEWEB)

    1992-05-10

    Abstracts are presented of 63 papers on the following topics: large-scale optimization, interior-point methods, algorithms for optimization, problems in control, network optimization methods, and parallel algorithms for optimization problems.

  6. Tritium labeling of simple 7-membered ring compounds

    International Nuclear Information System (INIS)

    Hiltunen, J.; Peng, C.T.; Yang, Z.C.

    1990-01-01

    Seven-membered ring compounds, from cycloheptane to complex ring structures containing heteroatoms, substituents and fused phenyl rings, were labeled with tritium, using activated and adsorbed tritium. The 7-membered ring structures are generally stable towards reactions with tritium, which allows compounds like 1-benzosuberone, 1-aza-2-methoxy-1-cycloheptane, iminostilbene and clozapine to be labeled to reasonably high specific activities. The best method varies greatly from compound to compound. By optimizing the labeling conditions and use of efficient support exceptionally good results can be obtained. The Pd-on-alumina support gives consistently higher specific activity and less radioimpurity than other supports. Even molecules containing carbon-halogen bond and hydrogen bound to nitrogen can usually be labeled with tritium at stable positions and without dehalogenation. (author)

  7. Affixation and compounding in Hakka

    OpenAIRE

    Ungsitipoonporn, Siriopen

    2014-01-01

    This paper aims to present the internal structures of words in the Hakka language. Similar to other languages, affixation and compounding are outstanding in Hakka. In general, prefixes and suffixes are bound morphemes which do not occur independently, but in Hakka they sometimes appear as independent forms. Apart from single words, identifying compound words is of particular interest. Compound nouns can be made up of two or three words (characters) which ...

  8. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Mariano Fracchiolla

    2007-12-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  9. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Pasquale Montemurro

    2011-02-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  10. Structure Modification of an Active Azo-Compound as a Route to New Antimicrobial Compounds

    Directory of Open Access Journals (Sweden)

    Simona Concilio

    2017-05-01

    Full Text Available Some novel (phenyl-diazenylphenols 3a–g were designed and synthesized to be evaluated for their antimicrobial activity. A previously synthesized molecule, active against bacteria and fungi, was used as lead for modifications and optimization of the structure, by introduction/removal or displacement of hydroxyl groups on the azobenzene rings. The aim of this work was to evaluate the consequent changes of the antimicrobial activity and to validate the hypothesis that, for these compounds, a plausible mechanism could involve an interaction with protein receptors, rather than an interaction with membrane. All newly synthesized compounds were analyzed by 1H-NMR, DSC thermal analysis and UV-Vis spectroscopy. The in vitro minimal inhibitory concentrations (MIC of each compound was determined against Gram-positive and Gram-negative bacteria and Candida albicans. Compounds 3b and 3g showed the highest activity against S. aureus and C. albicans, with remarkable MIC values of 10 µg/mL and 3 µg/mL, respectively. Structure-activity relationship studies were capable to rationalize the effect of different substitutions on the phenyl ring of the azobenzene on antimicrobial activity.

  11. Comparison of methods for determining volatile compounds in milk, cheese, and whey powder

    Science.gov (United States)

    Solid phase microextraction (SPME) and gas chromatography-mass spectrometry (GC-MS) are commonly used for qualitative and quantitative analysis of volatile compounds in various dairy products, but conditions have to be adjusted for optimal SPME release while not generating new compounds that are abs...

  12. Antimicrobial compounds in tears.

    Science.gov (United States)

    McDermott, Alison M

    2013-12-01

    The tear film coats the cornea and conjunctiva and serves several important functions. It provides lubrication, prevents drying of the ocular surface epithelia, helps provide a smooth surface for refracting light, supplies oxygen and is an important component of the innate defense system of the eye providing protection against a range of potential pathogens. This review describes both classic antimicrobial compounds found in tears such as lysozyme and some more recently identified such as members of the cationic antimicrobial peptide family and surfactant protein-D as well as potential new candidate molecules that may contribute to antimicrobial protection. As is readily evident from the literature review herein, tears, like all mucosal fluids, contain a plethora of molecules with known antimicrobial effects. That all of these are active in vivo is debatable as many are present in low concentrations, may be influenced by other tear components such as the ionic environment, and antimicrobial action may be only one of several activities ascribed to the molecule. However, there are many studies showing synergistic/additive interactions between several of the tear antimicrobials and it is highly likely that cooperativity between molecules is the primary way tears are able to afford significant antimicrobial protection to the ocular surface in vivo. In addition to effects on pathogen growth and survival some tear components prevent epithelial cell invasion and promote the epithelial expression of innate defense molecules. Given the protective role of tears a number of scenarios can be envisaged that may affect the amount and/or activity of tear antimicrobials and hence compromise tear immunity. Two such situations, dry eye disease and contact lens wear, are discussed here. Copyright © 2013 Elsevier Ltd. All rights reserved.

  13. Analyzing compound and project progress through multi-objective-based compound quality assessment.

    Science.gov (United States)

    Nissink, J Willem M; Degorce, Sébastien

    2013-05-01

    Compound-quality scoring methods designed to evaluate multiple drug properties concurrently are useful to analyze and prioritize output from drug-design efforts. However, formalized multiparameter optimization approaches are not widely used in drug design. We rank molecules synthesized in drug-discovery projects using simple and aggregated desirability functions reflecting medicinal chemistry 'rules'. Our quality score deals transparently with missing data, a key requirement in drug-hunting projects where data availability is often limited. We further estimate confidence in the interpretation of such a compound-quality measure. Scores and associated confidences provide systematic insight in the quality of emerging chemical equity. Tracking quality of synthetic output over time yields valuable insight into the progress of drug-design teams, with potential applications in risk and resource management of a drug portfolio.

  14. PREPARATION AND PROPERTIES OF COMPOUND ARNEBIAE RADIX MICROEMULSION GEL.

    Science.gov (United States)

    Chen, Jing; He, Yanping; Gao, Ting; Zhang, Licheng; Zhao, Yuna

    2017-01-01

    Compound Arnebiae radix oil has been clinically applied to treat burns and scalds for a long time. However, it is unstable and inconvenient to use. The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Based on the solubility of Shikonin, the active component of Arnebiae radix and the results of phase studies, adequate ratio of each component in microemulsion was determined. The optimized microemulsion gel was prepared using Carbomer 940. The gels were characterized in terms of appearance, preliminary stability test and the content of Shikonin in the compound Arnebiae radix microemulsion gel with HPLC analysis. The optimized conditions for preparing microemulsion were Tween-80, glycerin, isopropyl myristate (IPM) with the ratio of 6:3:2. The optimal microemulsion gel was obtained with Carbomer 940 (1.0%). The prepared compound Arnebiae radix microemulsion gel showed good stability over time. It is more convenience in application than the previous used formulations.

  15. II-VI semiconductor compounds

    CERN Document Server

    1993-01-01

    For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

  16. Compound-heterozygous Marfan syndrome

    NARCIS (Netherlands)

    van Dijk, F. S.; Hamel, B. C.; Hilhorst-Hofstee, Y.; Mulder, B. J. M.; Timmermans, J.; Pals, G.; Cobben, J. M.

    2009-01-01

    We report two families in which the probands have compound-heterozygous Marfan syndrome (MFS). The proband of family I has the R2726W FBN1 mutation associated with isolated skeletal features on one allele and a pathogenic FBN1 mutation on the other allele. The phenotype of the compound-heterozygous

  17. Radioactive decay and labeled compounds

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This chapter on radioactive decay and labeled compounds has numerous intext equations and worked, sample problems. Topics covered include the following: terms and mathematics of radioactive decay; examples of calculations; graphs of decay equations; radioactivity or activity; activity measurements; activity decay; half-life determinations; labeled compounds. A 20 problem set is also included. 1 ref., 4 figs., 1 tab

  18. Radiolysis of other organic compounds

    International Nuclear Information System (INIS)

    Pikaev, A.K.

    1986-01-01

    Peculiarities of radiolysis of organic halogen, phosphorus, sulfur and nitrogen (including amines, amides, nitriles et al.) compounds in liquid phase are discussed. Intermediate and stable finish products of radiolysis of the given compounds, properties and radiochemical yields of these products are considered

  19. 2. Intermetallic compounds with lanthanides

    International Nuclear Information System (INIS)

    Elemans, J.B.A.A.

    1975-01-01

    Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

  20. Xenobiotic organic compounds in wastewater

    DEFF Research Database (Denmark)

    Eriksson, Eva; Baun, Anders; Henze, Mogens

    2002-01-01

    hundred of XOCs, among them mainly originating from hygiene products: chlorophenols, detergents and phthalates. Several compounds not deriving from hygiene products were also identified e.g. flame-retardants and drugs. A environmental hazard identification showed that a large number of compounds with high...

  1. Devices for collecting chemical compounds

    Science.gov (United States)

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  2. Conversion of Azides into Diazo Compounds in Water

    Science.gov (United States)

    Chou, Ho-Hsuan; Raines, Ronald T.

    2013-01-01

    Diazo compounds are in widespread use in synthetic organic chemistry, but have untapped potential in chemical biology. We report on the design and optimization of a phosphinoester that mediates the efficient conversion of azides into diazo compounds in phosphate buffer at neutral pH and room temperature. High yields are maintained in the presence of common nucleophilic or electrophilic functional groups, and reaction progress can be monitored by colorimetry. As azido groups are easy to install and maintain in biopolymers or their ligands, this new mode of azide reactivity could have substantial utility in chemical biology. PMID:24053717

  3. Recovery of aroma compounds from orange essential oil

    Directory of Open Access Journals (Sweden)

    Haypek E.

    2000-01-01

    Full Text Available The objective of this work was to study the recovery of aroma compounds present in the orange essential oil using experimental data from CUTRALE (a Brazilian Industry of Concentrated Orange Juice. The intention was to reproduce the industrial unit and afterwards to optimize the recovery of aroma compounds from orange essential oil by liquid-liquid extraction. The orange oil deterpenation was simulated using the commercial software PRO/II 4.0 version 1.0. The UNIFAC model was chosen for the calculation of the activity coefficients.

  4. Multi-angle compound imaging

    DEFF Research Database (Denmark)

    Jespersen, Søren Kragh; Wilhjelm, Jens Erik; Sillesen, Henrik

    1998-01-01

    This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared to conve......This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared...... to conventional B-mode imaging MACI offers better defined tissue boundaries and lower variance of the speckle pattern, resulting in an image with reduced random variations. Design and implementation of a compound imaging system is described, images of rubber tubes and porcine aorta are shown and effects...... on visualization are discussed. The speckle reduction is analyzed numerically and the results are found to be in excellent agreement with existing theory. An investigation of detectability of low-contrast lesions shows significant improvements compared to conventional imaging. Finally, possibilities for improving...

  5. EPR investigations on technetium compounds

    International Nuclear Information System (INIS)

    Abram, U.; Munze, R.; Kirmse, R.; Stach, J.

    1986-01-01

    Stimulated by the widespread use of the isotope /sup 99m/Tc in the field of nuclear medicine, there has been a substantial growth of interest in the chemistry of this man-made element. A particular need emerges for analytical methods allowing solution investigations of coordination compounds of technetium with low substance use. Considering these facts, Electron Paramagnetic Resonance Spectroscopy (EPR) appears to be a very suitable method because only very small amounts of the compounds are needed (lower than 1 mg). The resulting spectra give information regarding the valence state, symmetry and bonding properties of the compounds under study

  6. Industrial uses of boron compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pastor, H [Eurotungstene; Thevenot, F

    1978-06-01

    A review includes a section on the use in the chemical industry of some transition-metal borides as heterogeneous catalysts in the hydrogenation and dehydrogenation of organic compounds and in fuel cells.

  7. The demise of compound houses

    DEFF Research Database (Denmark)

    Andreasen, Jørgen; Eskemose Andersen, Jørgen

    2006-01-01

    of compound housing and analyses the advantages and disadvantages of life within such housing in Kumasi. Issues of privacy, image and communal life are usually cited by occupants dissatiesfied with life in compound houses, and the difficulty of extending them without spoiling the open spaces...... perceptions of what is acceptable urban life to the growing cohort of young African households. In addition, there is a need to explore innovative forms of tenure in order to secure the majority of Kumasi's population access to land for housing.......The compound house has long provided the accomodation required by low income households in West African cities. In Kumasi, Ghana, evidence suggests that no new compounds are being built. Instead, the city is being ringed by relatively affluent villa-style development while neighbourhoods dominated...

  8. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  9. Third Symposium on Macrocyclic Compounds

    International Nuclear Information System (INIS)

    1979-01-01

    At the Third Symposium on Macrocyclic Compounds there were sessions on facilitated transport, analytical applications, organic synthesis and reactions, phase transfer catalysis, and metal complexation. Abstracts of the individual presentations are included

  10. Quality control of labelled compounds

    International Nuclear Information System (INIS)

    Matucha, M.

    1979-01-01

    Some advantages and disadvantages of methods used for quality control of organic labelled compounds (1 31 I, 14 C) are shortly discussed. The methods used are electrophoresis, ultraviolet and infrared spectrometry, radiogas and thin-layer chromatography. (author)

  11. Compound cueing in free recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2013-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cueing in free recall. Specifically, the temporal contiguity effect should be greater when the two most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cueing in both conditional response probabilities and inter-response times. To help rule out a rehearsal-based account of these compound cueing effects, we conducted an experiment with immediate, delayed and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cueing was present in all conditions, and was not significantly influenced by the presence of interitem distractors. PMID:23957364

  12. Compound cuing in free recall.

    Science.gov (United States)

    Lohnas, Lynn J; Kahana, Michael J

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity effect should be greater when the 2 most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cuing in both conditional response probabilities and interresponse times. To help rule out a rehearsal-based account of these compound cuing effects, we conducted an experiment with immediate, delayed, and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cuing was present in all conditions, and was not significantly influenced by the presence of interitem distractors.

  13. Crystallographic properties of fertilizer compounds

    Energy Technology Data Exchange (ETDEWEB)

    Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

    1991-02-01

    This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

  14. Polishing compound for plastic surfaces

    Science.gov (United States)

    Stowell, M.S.

    1991-01-01

    This invention is comprised of a polishing compound for plastic materials. The compound includes approximately by approximately by weight 25 to 80 parts at least one petroleum distillate lubricant, 1 to 12 parts mineral spirits, 50 to 155 parts abrasive paste, and 15 to 60 parts water. Preferably, the compound includes approximately 37 to 42 parts at least one petroleum distillate lubricant, up to 8 parts mineral spirits, 95 to 110 parts abrasive paste, and 50 to 55 parts water. The proportions of the ingredients are varied in accordance with the particular application. The compound is used on PLEXIGLAS{trademark}, LEXAN{trademark}, LUCITE{trademark}, polyvinyl chloride (PVC), and similar plastic materials whenever a smooth, clear polished surface is desired.

  15. Phenolic Compounds in Brassica Vegetables

    Directory of Open Access Journals (Sweden)

    Pablo Velasco

    2010-12-01

    Full Text Available Phenolic compounds are a large group of phytochemicals widespread in the plant kingdom. Depending on their structure they can be classified into simple phenols, phenolic acids, hydroxycinnamic acid derivatives and flavonoids. Phenolic compounds have received considerable attention for being potentially protective factors against cancer and heart diseases, in part because of their potent antioxidative properties and their ubiquity in a wide range of commonly consumed foods of plant origin. The Brassicaceae family includes a wide range of horticultural crops, some of them with economic significance and extensively used in the diet throughout the world. The phenolic composition of Brassica vegetables has been recently investigated and, nowadays, the profile of different Brassica species is well established. Here, we review the significance of phenolic compounds as a source of beneficial compounds for human health and the influence of environmental conditions and processing mechanisms on the phenolic composition of Brassica vegetables.

  16. Fourth symposium on macrocyclic compounds

    International Nuclear Information System (INIS)

    Christensen, J.J.; Izatt, R.M.

    1980-01-01

    Both theoretical and experimental aspects of the properties and behavior of synthetic and naturally occurring macrocyclic compounds are covered in this symposium. This document contains abstracts of the papers

  17. Radiation curable hydantoin diacrylate compounds

    International Nuclear Information System (INIS)

    Seltzer, R.; DiPrima, J.F.

    1979-01-01

    The diacrylate compounds are liquid at room temperature, easily processable as adhesives, casting and laminating resins and when cured possess excellent resistance to water. These compositions are easily cured exposure to ionizing radiations

  18. Competitive Analysis for Online Leasing Problem with Compound Interest Rate

    Directory of Open Access Journals (Sweden)

    Xingyu Yang

    2011-01-01

    Full Text Available We introduce the compound interest rate into the continuous version of the online leasing problem and discuss the generalized model by competitive analysis. On the one hand, the optimal deterministic strategy and its competitive ratio are obtained; on the other hand, a nearly optimal randomized strategy is constructed and a lower bound for the randomized competitive ratios is proved by Yao's principle. With the help of numerical examples, the theoretical results show that the interest rate puts off the purchase date and diminishes the uncertainty involved in the decision making.

  19. Computational and Physical Analysis of Catalytic Compounds

    Science.gov (United States)

    Wu, Richard; Sohn, Jung Jae; Kyung, Richard

    2015-03-01

    Nanoparticles exhibit unique physical and chemical properties depending on their geometrical properties. For this reason, synthesis of nanoparticles with controlled shape and size is important to use their unique properties. Catalyst supports are usually made of high-surface-area porous oxides or carbon nanomaterials. These support materials stabilize metal catalysts against sintering at high reaction temperatures. Many studies have demonstrated large enhancements of catalytic behavior due to the role of the oxide-metal interface. In this paper, the catalyzing ability of supported nano metal oxides, such as silicon oxide and titanium oxide compounds as catalysts have been analyzed using computational chemistry method. Computational programs such as Gamess and Chemcraft has been used in an effort to compute the efficiencies of catalytic compounds, and bonding energy changes during the optimization convergence. The result illustrates how the metal oxides stabilize and the steps that it takes. The graph of the energy computation step(N) versus energy(kcal/mol) curve shows that the energy of the titania converges faster at the 7th iteration calculation, whereas the silica converges at the 9th iteration calculation.

  20. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  1. Compound Odontoma in young girl

    Directory of Open Access Journals (Sweden)

    Nurwahida Nurwahida

    2017-08-01

    Full Text Available Introduction. Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. These tumors are formed from enamel and dentin, and can have variable amounts of cement and pulp tissues. According to radiographic, microscopic, and clinical features, two types of odontomas are recognized: Complex and compound odontomas. Complex odontomas occur mostly in the posterior part of the mandible and compound odontomas in the anterior maxilla. Case Report. A young girl patient, 9 years old came to Department of Oral and Maxillofacial Surgery with a slow growing and asymptomatic swelling in her left posterior mandible for 5 years in his history taking. The panoramic radiograph show  a radioopacity and radiolucent lesion at the lower second molar region, with well-corticated limits. An insisional biopsi   confirmed  as compound odontoma. The surgery  performed with simple enucleation and curettage under general anaesthesia. Discussion. Compound odontomas are usually located in the anterior maxilla, over the crowns of unerupted teeth, or between the roots of erupted teeth. In this case report, Compound odontomas are found in the posterior mandible. Conclusion. Compound odontomas in the posterior mandible is a rare. The treatment of odontomas depends on the size of the lesion. The early diagnosis, the treatment of choice is conservative surgical enucleation and curettage and prognosis is excellent.

  2. Development and Investigation of NMR tools for chiral compound identification

    Energy Technology Data Exchange (ETDEWEB)

    Alam, Todd Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Electronic, Optical and Nano Materials; Lansdon, Rick [Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)

    2014-09-01

    The goal behind the assigned summer project was to investigate the ability of nuclear magnetic resonance spectroscopy (NMR) to identify enantiomers of select chiral organo-fluorophosphates (OFPs) compounds which are analogs of chemical warfare agents (CWAs, e.g. Sarin). This involved investigations utilizing chiral solvating agents (CSAs) and characterizing the binding phenomena with cyclodextrins. The resolution of OFPs enantiomers using NMR would be useful for research into toxicodynamics and toxicokinetics in biological systems due to the widely differing properties of the CWA enantiomers [1]. The optimization of decontamination abilities in the case of a CWA events, with this method’s potential rapidity and robustness, as well as the development of models correlating chiral compounds with CSAs for optimal resolution are all rational benefits of this research.

  3. Simulation of uranium and plutonium oxides compounds obtained in plasma

    Science.gov (United States)

    Novoselov, Ivan Yu.; Karengin, Alexander G.; Babaev, Renat G.

    2018-03-01

    The aim of this paper is to carry out thermodynamic simulation of mixed plutonium and uranium oxides compounds obtained after plasma treatment of plutonium and uranium nitrates and to determine optimal water-salt-organic mixture composition as well as conditions for their plasma treatment (temperature, air mass fraction). Authors conclude that it needs to complete the treatment of nitric solutions in form of water-salt-organic mixtures to guarantee energy saving obtainment of oxide compounds for mixed-oxide fuel and explain the choice of chemical composition of water-salt-organic mixture. It has been confirmed that temperature of 1200 °C is optimal to practice the process. Authors have demonstrated that condensed products after plasma treatment of water-salt-organic mixture contains targeted products (uranium and plutonium oxides) and gaseous products are environmental friendly. In conclusion basic operational modes for practicing the process are showed.

  4. Optimization modeling with spreadsheets

    CERN Document Server

    Baker, Kenneth R

    2015-01-01

    An accessible introduction to optimization analysis using spreadsheets Updated and revised, Optimization Modeling with Spreadsheets, Third Edition emphasizes model building skills in optimization analysis. By emphasizing both spreadsheet modeling and optimization tools in the freely available Microsoft® Office Excel® Solver, the book illustrates how to find solutions to real-world optimization problems without needing additional specialized software. The Third Edition includes many practical applications of optimization models as well as a systematic framework that il

  5. The in situ generation and reactive quench of diazonium compounds in the synthesis of azo compounds in microreactors

    OpenAIRE

    Faith M. Akwi; Paul Watts

    2016-01-01

    Summary In this paper, a micro-fluidic optimized process for the continuous flow synthesis of azo compounds is presented. The continuous flow synthesis of Sudan II azo dye was used as a model reaction for the study. At found optimal azo coupling reaction temperature and pH an investigation of the optimum flow rates of the reactants for the diazotization and azo coupling reactions in Little Things Factory-MS microreactors was performed. A conversion of 98% was achieved in approximately 2.4 min...

  6. Preparation and quality control of 186Re compounds

    International Nuclear Information System (INIS)

    Noto, M.G.; Amor, R.A.; Caviglia, D.A.; Ratner, M.T.; Schroder, A.M.; Rocco, J.C.; Mancini, A.C.

    1987-01-01

    The optimal conditions were investigated in order to label the methylendiphosphonate (MDP), hydroxyethylendiphosphonate (HEDP), pyrophosphonate (PYP) and ethylendiaminotetramethylenphosphoric (EDTMP) with 186 Re. The biodistribution of these compounds in experimental animals were studied to determine the most suitable therapeutic agent for its eventual use as pain palliative in patients with bone metastases. The biodistribution assays were performed in Wistar rats, and the 186 Re HEDP was finally chosen. (M.E.L.) [es

  7. Solubility of hydrogen in bio-oil compounds

    International Nuclear Information System (INIS)

    Qureshi, Muhammad Saad; Touronen, Jouni; Uusi-Kyyny, Petri; Richon, Dominique; Alopaeus, Ville

    2016-01-01

    Highlights: • Solubility of Hydrogen was measured in bio-oil compounds in the at temperatures from 342 to 473 K and pressures up to 16 MPa. • Phase equilibrium data were acquired using a visualization enabled continuous flow synthetic apparatus. • The measured solubility is modeled with Peng-Robinson EoS. - Abstract: The knowledge of accurate hydrogen solubility values in bio-oil compounds is essential for the design and optimization of hydroprocesses relevant to biofuel industry. This work reports the solubility of hydrogen in three industrially relevant bio-oil compounds (allyl alcohol, furan, and eugenol) at temperatures from 342 to 473 K and pressures up to 16 MPa. Phase equilibrium data were acquired using a continuous flow synthetic method. The method is based on the visual observation of the bubble point using a high resolution camera. The measured solubility is modeled with Peng-Robinson EoS with classical van der Waals one fluid mixing rules.

  8. Study of the CMR compounds in hazardous wastes

    International Nuclear Information System (INIS)

    Chollot, A.

    2007-01-01

    In order to limit the exposure of workers to carcinogenic, mutagen and reproduction-toxic compounds (CMR) and to optimize the safety needs in the field of hazardous industrial wastes, the INRS has decided to complete its knowledge in doing a sectorial inquiry titled 'study of the CMR compounds contained in wastes'. This study allows to obtain data relative to hazardous wastes and to the presence of CMR compounds into these hazardous wastes. The first part of this study gives the methodology used for doing this inquiry. The results, gathered in databases, are presented in tables and in synthetic schemes. The last part gives operational propositions it could be important to adopt to improve and/or to develop safety approaches adapted to the CMR risk and, particularly the transfer of the good data to workers. (O.M.)

  9. GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison

    Science.gov (United States)

    Ma, Chao; Wang, Lirong; Xie, Xiang-Qun

    2012-01-01

    Chemical similarity calculation plays an important role in compound library design, virtual screening, and “lead” optimization. In this manuscript, we present a novel GPU-accelerated algorithm for all-vs-all Tanimoto matrix calculation and nearest neighbor search. By taking advantage of multi-core GPU architecture and CUDA parallel programming technology, the algorithm is up to 39 times superior to the existing commercial software that runs on CPUs. Because of the utilization of intrinsic GPU instructions, this approach is nearly 10 times faster than existing GPU-accelerated sparse vector algorithm, when Unity fingerprints are used for Tanimoto calculation. The GPU program that implements this new method takes about 20 minutes to complete the calculation of Tanimoto coefficients between 32M PubChem compounds and 10K Active Probes compounds, i.e., 324G Tanimoto coefficients, on a 128-CUDA-core GPU. PMID:21692447

  10. Osmotic Compounds Enhance Antibiotic Efficacy against Acinetobacter baumannii Biofilm Communities.

    Science.gov (United States)

    Falghoush, Azeza; Beyenal, Haluk; Besser, Thomas E; Omsland, Anders; Call, Douglas R

    2017-10-01

    Biofilm-associated infections are a clinical challenge, in part because a hydrated matrix protects the bacterial community from antibiotics. Herein, we evaluated how different osmotic compounds (maltodextrin, sucrose, and polyethylene glycol [PEG]) enhance antibiotic efficacy against Acinetobacter baumannii biofilm communities. Established (24-h) test tube biofilms (strain ATCC 17978) were treated with osmotic compounds in the presence or absence of 10× the MIC of different antibiotics (50 μg/ml tobramycin, 20 μg/ml ciprofloxacin, 300 μg/ml chloramphenicol, 30 μg/ml nalidixic acid, or 100 μg/ml erythromycin). Combining antibiotics with hypertonic concentrations of the osmotic compounds for 24 h reduced the number of biofilm bacteria by 5 to 7 log ( P baumannii strains were similarly treated with 400-Da PEG and tobramycin, resulting in a mean 2.7-log reduction in recoverable bacteria compared with tobramycin treatment alone. Multivariate regression models with data from different osmotic compounds and nine antibiotics demonstrated that the benefit from combining hypertonic treatments with antibiotics is a function of antibiotic mass and lipophilicity ( r 2 > 0.82; P baumannii and Escherichia coli K-12. Augmenting topical antibiotic therapies with a low-mass hypertonic treatment may enhance the efficacy of antibiotics against wound biofilms, particularly when using low-mass hydrophilic antibiotics. IMPORTANCE Biofilms form a barrier that protects bacteria from environmental insults, including exposure to antibiotics. We demonstrated that multiple osmotic compounds can enhance antibiotic efficacy against Acinetobacter baumannii biofilm communities, but viscosity is a limiting factor, and the most effective compounds have lower molecular mass. The synergism between osmotic compounds and antibiotics is also dependent on the hydrophobicity and mass of the antibiotics. The statistical models presented herein provide a basis for predicting the optimal combination of

  11. Dual-pulse frequency compounded superharmonic imaging.

    Science.gov (United States)

    van Neer, Paul L M J; Danilouchkine, Mikhail G; Matte, Guillaume M; van der Steen, Anton F W; de Jong, Nico

    2011-11-01

    Tissue second-harmonic imaging is currently the default mode in commercial diagnostic ultrasound systems. A new modality, superharmonic imaging (SHI), combines the third through fifth harmonics originating from nonlinear wave propagation through tissue. SHI could further improve the resolution and quality of echographic images. The superharmonics have gaps between the harmonics because the transducer has a limited bandwidth of about 70% to 80%. This causes ghost reflection artifacts in the superharmonic echo image. In this work, a new dual-pulse frequency compounding (DPFC) method to eliminate these artifacts is introduced. In the DPFC SHI method, each trace is constructed by summing two firings with slightly different center frequencies. The feasibility of the method was established using a single-element transducer. Its acoustic field was modeled in KZK simulations and compared with the corresponding measurements obtained with a hydrophone apparatus. Subsequently, the method was implemented on and optimized for a setup consisting of an interleaved phased-array transducer (44 elements at 1 MHz and 44 elements at 3.7 MHz, optimized for echocardiography) and a programmable ultrasound system. DPFC SHI effectively suppresses the ghost reflection artifacts associated with imaging using multiple harmonics. Moreover, compared with the single-pulse third harmonic, DPFC SHI improved the axial resolution by 3.1 and 1.6 times at the -6-dB and -20-dB levels, respectively. Hence, DPFC offers the possibility of generating harmonic images of a higher quality at a cost of a moderate frame rate reduction.

  12. Synthesis and structural characterization of actinide oxalate compounds

    International Nuclear Information System (INIS)

    Tamain, C.

    2011-01-01

    Oxalic acid is a well-known reagent to recover actinides thanks to the very low solubility of An(IV) and An(III) oxalate compounds in acidic solution. Therefore, considering mixed-oxide fuel or considering minor actinides incorporation in ceramic fuel materials for transmutation, oxalic co-conversion is convenient to synthesize mixed oxalate compounds, precursors of oxide solid solutions. As the existing oxalate single crystal syntheses are not adaptable to the actinide-oxalate chemistry or to their manipulation constrains in gloves box, several original crystal growth methods were developed. They were first validate and optimized on lanthanides and uranium before the application to transuranium elements. The advanced investigations allow to better understand the syntheses and to define optimized chemical conditions to promote crystal growth. These new crystal growth methods were then applied to a large number of mixed An1(IV)-An2(III) or An1(IV)-An2(IV) systems and lead to the formation of the first original mixed An1(IV)-An2(III) and An1(IV)-An2(IV) oxalate single crystals. Finally thanks to the first thorough structural characterizations of these compounds, single crystal X-ray diffraction, EXAFS or micro-RAMAN, the particularly weak oxalate-actinide compounds structural database is enriched, which is essential for future studied nuclear fuel cycles. (author) [fr

  13. Diazo compounds in the chemistry of fullerenes

    International Nuclear Information System (INIS)

    Tuktarov, Airat R; Dzhemilev, Usein M

    2010-01-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  14. Diazo compounds in the chemistry of fullerenes

    Science.gov (United States)

    Tuktarov, Airat R.; Dzhemilev, Usein M.

    2010-09-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  15. Diazo compounds in the chemistry of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Tuktarov, Airat R; Dzhemilev, Usein M [Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, Ufa (Russian Federation)

    2010-09-14

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  16. Method for purifying bidentate organophosphorus compounds

    International Nuclear Information System (INIS)

    Schulz, W.W.

    1977-01-01

    Bidentate organophosphorus compounds useful for extracting actinide elements from acidic nuclear waste solutions are purified of undesirable acidic impurities by contacting the compounds with ethylene glycol which preferentially extracts the impurities found in technical grade bidentate compounds

  17. Extraterrestrial Organic Compounds in Meteorites

    Science.gov (United States)

    Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

    2003-01-01

    Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

  18. Vanadium Compounds as PTP Inhibitors

    Directory of Open Access Journals (Sweden)

    Elsa Irving

    2017-12-01

    Full Text Available Phosphotyrosine signaling is regulated by the opposing actions of protein tyrosine kinases (PTKs and protein tyrosine phosphatases (PTPs. Here we discuss the potential of vanadium derivatives as PTP enzyme inhibitors and metallotherapeutics. We describe how vanadate in the V oxidized state is thought to inhibit PTPs, thus acting as a pan-inhibitor of this enzyme superfamily. We discuss recent developments in the biological and biochemical actions of more complex vanadium derivatives, including decavanadate and in particular the growing number of oxidovanadium compounds with organic ligands. Pre-clinical studies involving these compounds are discussed in the anti-diabetic and anti-cancer contexts. Although in many cases PTP inhibition has been implicated, it is also clear that many such compounds have further biochemical effects in cells. There also remain concerns surrounding off-target toxicities and long-term use of vanadium compounds in vivo in humans, hindering their progress through clinical trials. Despite these current misgivings, interest in these chemicals continues and many believe they could still have therapeutic potential. If so, we argue that this field would benefit from greater focus on improving the delivery and tissue targeting of vanadium compounds in order to minimize off-target toxicities. This may then harness their full therapeutic potential.

  19. Optimal Pollution, Optimal Population, and Sustainability

    OpenAIRE

    Ulla Lehmijoki

    2012-01-01

    This paper develops a long-run consumer optimization model with endogenous pollution and endogenous population. The positive check increases mortality if pollution increases. The optimal path is sustainable if it provides non-decreasing consumption for a non-decreasing population. As usually, optimality and sustainability may conflict; with population endogenous to pollution, this conflict may ultimately lead the human species toward self-imposed extinction. Not even technical progress can wa...

  20. Metal alkyls programmed to generate metal alkylidenes by α-H abstraction: prognosis from NMR chemical shift† †Electronic supplementary information (ESI) available: Experimental and computational details, NMR spectra, results of NMR calculations and NCS analysis, graphical representation of shielding tensors, molecular orbital diagrams of selected compounds, optimized structures for all calculated species. See DOI: 10.1039/c7sc05039a

    Science.gov (United States)

    Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru

    2018-01-01

    Metal alkylidenes, which are key organometallic intermediates in reactions such as olefination or alkene and alkane metathesis, are typically generated from metal dialkyl compounds [M](CH2R)2 that show distinctively deshielded chemical shifts for their α-carbons. Experimental solid-state NMR measurements combined with DFT/ZORA calculations and a chemical shift tensor analysis reveal that this remarkable deshielding originates from an empty metal d-orbital oriented in the M–Cα–Cα′ plane, interacting with the Cα p-orbital lying in the same plane. This π-type interaction inscribes some alkylidene character into Cα that favors alkylidene generation via α-H abstraction. The extent of the deshielding and the anisotropy of the alkyl chemical shift tensors distinguishes [M](CH2R)2 compounds that form alkylidenes from those that do not, relating the reactivity to molecular orbitals of the respective molecules. The α-carbon chemical shifts and tensor orientations thus predict the reactivity of metal alkyl compounds towards alkylidene generation. PMID:29675237

  1. The structures of binary compounds

    CERN Document Server

    Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

    1990-01-01

    - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

  2. Catalytic applications of niobium compounds

    International Nuclear Information System (INIS)

    Wright, C.J.; England, W.A.

    1984-01-01

    This article examines the potential uses of niobium, and its compounds, as catalysts in chemical processing. The word potential is deliberately chosen because in 1978 none of the world's twenty-five major catalysts (1) contained niobium. On the other hand, catalysts containing molybdenum and vanadium, neighbors of niobium in the periodic table, realized over 80 x 10 6 of sales in that same year. At the same time many of the patents for niobium catalysts cover applications in which niobium improves the activity of, or substitutes for, molybdenum based compounds. With favorable cost differentials and improvements in understanding, niobium may be able to replace molybdenum in some its traditional uses

  3. Cytotoxic Compounds from Aloe megalacantha

    Directory of Open Access Journals (Sweden)

    Negera Abdissa

    2017-07-01

    Full Text Available Phytochemical investigation of the ethyl acetate extract of the roots of Aloe megalacantha led to the isolation of four new natural products—1,8-dimethoxynepodinol (1, aloesaponarin III (2, 10-O-methylchrysalodin (3 and methyl-26-O-feruloyl-oxyhexacosanate (4—along with ten known compounds. All purified metabolites were characterized by NMR, mass spectrometric analyses and comparison with literature data. The isolates were evaluated for their cytotoxic activity against a human cervix carcinoma cell line KB-3-1 and some of them exhibited good activity, with aloesaponarin II (IC50 = 0.98 µM being the most active compound.

  4. Antiprotozoal compounds from Asparagus africanus

    DEFF Research Database (Denmark)

    Oketch-Rabah, H A; Dossaji, S F; Christensen, S B

    1997-01-01

    Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl)-bisphenol.......Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl...

  5. Applications of combinatorial optimization

    CERN Document Server

    Paschos, Vangelis Th

    2013-01-01

    Combinatorial optimization is a multidisciplinary scientific area, lying in the interface of three major scientific domains: mathematics, theoretical computer science and management. The three volumes of the Combinatorial Optimization series aims to cover a wide range of topics in this area. These topics also deal with fundamental notions and approaches as with several classical applications of combinatorial optimization. "Applications of Combinatorial Optimization" is presenting a certain number among the most common and well-known applications of Combinatorial Optimization.

  6. Compounds formed by treatment of corn (Zea mays) with nitrous acid.

    Science.gov (United States)

    Archer, M C; Hansen, T J; Tannenbaum, S R

    1980-01-01

    Nitrohexane has been identified as a major product formed following treatment of corn (Zea mays) with nitrous acid. Preliminary evidence suggests that another compound isolated from the nitrosated corn is an unsaturated nitrolic acid. As an aid to the analysis of N-nitro compounds, we have characterized the response of a chemiluminescence detector (Thermal Energy Analyzer) as a function of pyrolysis chamber temperature for several nitrosamines and for an aliphatic C-nitroso compound, an aromatic C-nitro compound, a nitramine and an alkyl nitrite. The response-temperature profiles are valuable in distinguishing among the various compounds and in optimizing the sensitivity of the detector for use in chromatography. Other tests, including photolysis and stability toward nitrite-scavenging reagents, further aid in distinguishing among the various compounds.

  7. Computational Study on Spirocyclic Compounds as Energetic Materials (I)

    Energy Technology Data Exchange (ETDEWEB)

    Seok, Won K. [Dongguk Univ., Seoul (Korea, Republic of)

    2014-04-15

    The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro heptane and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro heptane, were fully optimized without symmetry constraints at HF/6-31G level of theory. A bisected conformation with respect to the ring is preferred with a C{sub 2} symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 g/cm{sup 3} using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, P{sub C-J} = 127 kbar for compound, D = 7871 m/s, P{sub C-J} = 307 kbar for compound, and D = 6975 m/s, P{sub C-J} = 170 kbar for 60% compound with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

  8. Statistical molecular design of balanced compound libraries for QSAR modeling.

    Science.gov (United States)

    Linusson, A; Elofsson, M; Andersson, I E; Dahlgren, M K

    2010-01-01

    A fundamental step in preclinical drug development is the computation of quantitative structure-activity relationship (QSAR) models, i.e. models that link chemical features of compounds with activities towards a target macromolecule associated with the initiation or progression of a disease. QSAR models are computed by combining information on the physicochemical and structural features of a library of congeneric compounds, typically assembled from two or more building blocks, and biological data from one or more in vitro assays. Since the models provide information on features affecting the compounds' biological activity they can be used as guides for further optimization. However, in order for a QSAR model to be relevant to the targeted disease, and drug development in general, the compound library used must contain molecules with balanced variation of the features spanning the chemical space believed to be important for interaction with the biological target. In addition, the assays used must be robust and deliver high quality data that are directly related to the function of the biological target and the associated disease state. In this review, we discuss and exemplify the concept of statistical molecular design (SMD) in the selection of building blocks and final synthetic targets (i.e. compounds to synthesize) to generate information-rich, balanced libraries for biological testing and computation of QSAR models.

  9. Occurrence and abatement of volatile sulfur compounds during biogas production.

    Science.gov (United States)

    Andersson, Fräs Annika T; Karlsson, Anna; Svensson, Bo H; Ejlertsson, Jörgen

    2004-07-01

    Volatile sulfur compounds (VSCs) in biogas originating from a biogas production plant and from a municipal sewage water treatment plant were identified. Samples were taken at various stages of the biogas-producing process, including upgrading the gas to vehicle-fuel quality. Solid-phase microextraction was used for preconcentration of the VSCs, which were subsequently analyzed using gas chromatography in combination with mass spectrometry. Other volatile organic compounds present also were identified. The most commonly occurring VSCs in the biogas were hydrogen sulfide, carbonyl sulfide, methanethiol, dimethyl sulfide, and dimethyl disulfide, and hydrogen sulfide was not always the most abundant sulfur (S) compound. Besides VSCs, oxygenated organic compounds were commonly present (e.g., ketones, alcohols, and esters). The effect of adding iron chloride to the biogas reactor on the occurrence of VSCs also was investigated. It was found that additions of 500-g/m3 substrate gave an optimal removal of VSCs. Also, the use of a prefermentation step could reduce the amount of VSCs formed in the biogas process. Moreover, in the carbon dioxide scrubber used for upgrading the gas, VSCs were removed efficiently, leaving traces (ppbv levels). The scrubber also removed other organic compounds.

  10. Compound

    Indian Academy of Sciences (India)

    Selen Bilgea,*, Zeynel Kılıça, Zeliha Hayvalıa, Tuncer Hökelekb and Serap Safranb. aDepartment of Chemistry, Faculty of Science, Ankara University, Tandoğan, Ankara 06100, Turkey. bDepartment of Physics, Hacettepe University, Beytepe, Ankara 06800, Turkey. e-mail: sbilge@science.ankara.edu.tr. Contents: Tables.

  11. Drug metabolism and pharmacokinetic diversity of ranunculaceae medicinal compounds.

    Science.gov (United States)

    Hao, Da-Cheng; Ge, Guang-Bo; Xiao, Pei-Gen; Wang, Ping; Yang, Ling

    2015-01-01

    The wide-reaching distributed angiosperm family Ranunculaceae has approximately 2200 species in around 60 genera. Chemical components of this family include several representative groups: benzylisoquinoline alkaloid (BIA), ranunculin, triterpenoid saponin and diterpene alkaloid, etc. Their extensive clinical utility has been validated by traditional uses of thousands of years and current evidence-based medicine studies. Drug metabolism and pharmacokinetic (DMPK) studies of plant-based natural products are an indispensable part of comprehensive medicinal plant exploration, which could facilitate conservation and sustainable utilization of Ranunculaceae pharmaceutical resources, as well as new chemical entity development with improved DMPK parameters. However, DMPK characteristics of Ranunculaceaederived medicinal compounds have not been summarized. Black cohosh (Cimicifuga) and goldenseal (Hydrastis) raise concerns of herbdrug interaction. DMPK studies of other Ranunculaceae genera, e.g., Nigella, Delphinium, Aconitum, Trollius, and Coptis, are also rapidly increasing and becoming more and more clinically relevant. In this contribution, we highlight the up-to-date awareness, as well as the challenges around the DMPK-related issues in optimization of drug development and clinical practice of Ranunculaceae compounds. Herb-herb interaction of Ranunculaceae herb-containing traditional Chinese medicine (TCM) formula could significantly influence the in vivo pharmacokinetic behavior of compounds thereof, which may partially explain the complicated therapeutic mechanism of TCM formula. Although progress has been made on revealing the absorption, distribution, metabolism, excretion and toxicity (ADME/T) of Ranunculaceae compounds, there is a lack of DMPK studies of traditional medicinal genera Aquilegia, Thalictrum and Clematis. Fluorescent probe compounds could be promising substrate, inhibitor and/or inducer in future DMPK studies of Ranunculaceae compounds. A better

  12. Global Optimization using Interval Analysis : Interval Optimization for Aerospace Applications

    NARCIS (Netherlands)

    Van Kampen, E.

    2010-01-01

    Optimization is an important element in aerospace related research. It is encountered for example in trajectory optimization problems, such as: satellite formation flying, spacecraft re-entry optimization and airport approach and departure optimization; in control optimization, for example in

  13. Bacterial degradation of fluorinated compounds

    NARCIS (Netherlands)

    Ferreira, Maria Isabel Martins

    2007-01-01

    Fluorine was produced for the first time by Henri Moissan in 1886, for which he received the Nobel Prize in chemistry in 1906. The unique properties of fluorine have led to the development of fluorine chemistry and numerous synthetic fluorinated compounds have been prepared and tested for different

  14. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  15. Antifouling Compounds from Marine Macroalgae.

    Science.gov (United States)

    Dahms, Hans Uwe; Dobretsov, Sergey

    2017-08-28

    Marine macroalgae produce a wide variety of biologically-active metabolites that have been developed into commercial products, such as antibiotics, immunosuppressive, anti-inflammatory, cytotoxic agents, and cosmetic products. Many marine algae remain clean over longer periods of time, suggesting their strong antifouling potential. Isolation of biogenic compounds and the determination of their structure could provide leads for the development of environmentally-friendly antifouling paints. Isolated substances with potent antifouling activity belong to fatty acids, lipopeptides, amides, alkaloids, lactones, steroids, terpenoids, and pyrroles. It is unclear as yet to what extent symbiotic microorganisms are involved in the synthesis of these compounds. Algal secondary metabolites have the potential to be produced commercially using genetic and metabolic engineering techniques. This review provides an overview of publications from 2010 to February 2017 about antifouling activity of green, brown, and red algae. Some researchers were focusing on antifouling compounds of brown macroalgae, while metabolites of green algae received less attention. Several studies tested antifouling activity against bacteria, microalgae and invertebrates, but in only a few studies was the quorum sensing inhibitory activity of marine macroalgae tested. Rarely, antifouling compounds from macroalgae were isolated and tested in an ecologically-relevant way.

  16. Students' Categorizations of Organic Compounds

    Science.gov (United States)

    Domin, Daniel S.; Al-Masum, Mohammad; Mensah, John

    2008-01-01

    Categorization is a fundamental psychological ability necessary for problem solving and many other higher-level cognitive tasks. In organic chemistry, students must establish groupings of different chemical compounds in order not only to solve problems, but also to understand course content. Classic models of categorization emphasize similarity as…

  17. Compound Cuing in Free Recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity…

  18. First flush of dissolved compounds

    DEFF Research Database (Denmark)

    Krebs, P.; Holzer, P.; Huisman, J.L.

    1999-01-01

    . It is known that since the wave celerity is higher than the flow velocity of the water, the increase of flow rate induced through rain runoff is recognised earlier at a certain downstream section of the combined sewer than the concentration increase of typical rain-water compounds originating from surface...

  19. Mechanical Design Optimization Using Advanced Optimization Techniques

    CERN Document Server

    Rao, R Venkata

    2012-01-01

    Mechanical design includes an optimization process in which designers always consider objectives such as strength, deflection, weight, wear, corrosion, etc. depending on the requirements. However, design optimization for a complete mechanical assembly leads to a complicated objective function with a large number of design variables. It is a good practice to apply optimization techniques for individual components or intermediate assemblies than a complete assembly. Analytical or numerical methods for calculating the extreme values of a function may perform well in many practical cases, but may fail in more complex design situations. In real design problems, the number of design parameters can be very large and their influence on the value to be optimized (the goal function) can be very complicated, having nonlinear character. In these complex cases, advanced optimization algorithms offer solutions to the problems, because they find a solution near to the global optimum within reasonable time and computational ...

  20. Oil Reservoir Production Optimization using Optimal Control

    DEFF Research Database (Denmark)

    Völcker, Carsten; Jørgensen, John Bagterp; Stenby, Erling Halfdan

    2011-01-01

    Practical oil reservoir management involves solution of large-scale constrained optimal control problems. In this paper we present a numerical method for solution of large-scale constrained optimal control problems. The method is a single-shooting method that computes the gradients using the adjo...... reservoir using water ooding and smart well technology. Compared to the uncontrolled case, the optimal operation increases the Net Present Value of the oil field by 10%.......Practical oil reservoir management involves solution of large-scale constrained optimal control problems. In this paper we present a numerical method for solution of large-scale constrained optimal control problems. The method is a single-shooting method that computes the gradients using...

  1. Optimization of freeform lightpipes for light-emitting-diode projectors.

    Science.gov (United States)

    Fournier, Florian; Rolland, Jannick

    2008-03-01

    Standard nonimaging components used to collect and integrate light in light-emitting-diode-based projector light engines such as tapered rods and compound parabolic concentrators are compared to optimized freeform shapes in terms of transmission efficiency and spatial uniformity. We show that the simultaneous optimization of the output surface and the profile shape yields transmission efficiency within the étendue limit up to 90% and spatial uniformity higher than 95%, even for compact sizes. The optimization process involves a manual study of the trends for different shapes and the use of an optimization algorithm to further improve the performance of the freeform lightpipe.

  2. Method Development and Validation for UHPLC-MS-MS Determination of Hop Prenylflavonoids in Human Serum

    OpenAIRE

    Yuan, Yang; Qiu, Xi; Nikolic, Dejan; Dahl, Jeffrey H.; van Breemen, Richard B.

    2012-01-01

    Hops (Humulus lupulus L.) are used in the brewing of beer, and hop extracts containing prenylated compounds such as xanthohumol and 8-prenylnaringenin are under investigation as dietary supplements for cancer chemoprevention and for the management of hot flashes in menopausal women. To facilitate clinical studies of hop safety and efficacy, a selective, sensitive, and fast ultra-high pressure liquid chromatography tandem mass spectrometry (UHPLC-MS-MS) method was developed and validated for t...

  3. Use of labeled compounds in tracer experiments

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    The use of radiotracers in research has become common. This chapter looks at some of the underlying assumptions and advantages of labeled compounds: advantages of radiotracers; availability of suitable tracers and labeled compounds; purity of labeled compounds; autoradiolysis; storage of labeled compounds; detection systems for chromatography and electrophoretic methods. 14 refs., 2 figs

  4. Peroxide organometallic compounds and their transformations

    International Nuclear Information System (INIS)

    Razuvaev, G.A.; Brilkina, T.G.

    1976-01-01

    A survey is given experimental works on synthesis and reactions of peroxide organometallic compounds. Reactions have been considered of organometallic compounds with oxygen and organic peroxides which result in formation of both peroxide and non-peroxide products. Possible routes and mechanisms of chemical transformations of peroxide organometallic compounds have been discussed. Reactions of organometallic compounds with oxygen and peroxides have been considered

  5. Particle Swarm Optimization Toolbox

    Science.gov (United States)

    Grant, Michael J.

    2010-01-01

    The Particle Swarm Optimization Toolbox is a library of evolutionary optimization tools developed in the MATLAB environment. The algorithms contained in the library include a genetic algorithm (GA), a single-objective particle swarm optimizer (SOPSO), and a multi-objective particle swarm optimizer (MOPSO). Development focused on both the SOPSO and MOPSO. A GA was included mainly for comparison purposes, and the particle swarm optimizers appeared to perform better for a wide variety of optimization problems. All algorithms are capable of performing unconstrained and constrained optimization. The particle swarm optimizers are capable of performing single and multi-objective optimization. The SOPSO and MOPSO algorithms are based on swarming theory and bird-flocking patterns to search the trade space for the optimal solution or optimal trade in competing objectives. The MOPSO generates Pareto fronts for objectives that are in competition. A GA, based on Darwin evolutionary theory, is also included in the library. The GA consists of individuals that form a population in the design space. The population mates to form offspring at new locations in the design space. These offspring contain traits from both of the parents. The algorithm is based on this combination of traits from parents to hopefully provide an improved solution than either of the original parents. As the algorithm progresses, individuals that hold these optimal traits will emerge as the optimal solutions. Due to the generic design of all optimization algorithms, each algorithm interfaces with a user-supplied objective function. This function serves as a "black-box" to the optimizers in which the only purpose of this function is to evaluate solutions provided by the optimizers. Hence, the user-supplied function can be numerical simulations, analytical functions, etc., since the specific detail of this function is of no concern to the optimizer. These algorithms were originally developed to support entry

  6. In-flight performance optimization for rotorcraft with redundant controls

    Science.gov (United States)

    Ozdemir, Gurbuz Taha

    A conventional helicopter has limits on performance at high speeds because of the limitations of main rotor, such as compressibility issues on advancing side or stall issues on retreating side. Auxiliary lift and thrust components have been suggested to improve performance of the helicopter substantially by reducing the loading on the main rotor. Such a configuration is called the compound rotorcraft. Rotor speed can also be varied to improve helicopter performance. In addition to improved performance, compound rotorcraft and variable RPM can provide a much larger degree of control redundancy. This additional redundancy gives the opportunity to further enhance performance and handling qualities. A flight control system is designed to perform in-flight optimization of redundant control effectors on a compound rotorcraft in order to minimize power required and extend range. This "Fly to Optimal" (FTO) control law is tested in simulation using the GENHEL model. A model of the UH-60, a compound version of the UH-60A with lifting wing and vectored thrust ducted propeller (VTDP), and a generic compound version of the UH-60A with lifting wing and propeller were developed and tested in simulation. A model following dynamic inversion controller is implemented for inner loop control of roll, pitch, yaw, heave, and rotor RPM. An outer loop controller regulates airspeed and flight path during optimization. A Golden Section search method was used to find optimal rotor RPM on a conventional helicopter, where the single redundant control effector is rotor RPM. The FTO builds off of the Adaptive Performance Optimization (APO) method of Gilyard by performing low frequency sweeps on a redundant control for a fixed wing aircraft. A method based on the APO method was used to optimize trim on a compound rotorcraft with several redundant control effectors. The controller can be used to optimize rotor RPM and compound control effectors through flight test or simulations in order to

  7. Pyrolysis mechanism of microalgae Nannochloropsis sp. based on model compounds and their interaction

    International Nuclear Information System (INIS)

    Wang, Xin; Tang, Xiaohan; Yang, Xiaoyi

    2017-01-01

    Highlights: • Pyrolysis experiments were conducted by model compounds of algal components. • Interaction affected little bio-crude yield of model compounds co-pyrolysis. • Some interaction pathways between microalgae components were recommended. • N-heterocyclic compounds were further pyrolysis products of Maillard reaction products. • Surfactant synthesis (lipid-amino acids and lipid-glucose) between algal components. - Abstract: Pyrolysis is one of important pathways to convert microalgae to liquid biofuels and key components of microalgae have different chemical composition and structure, which provides a barrier for large-scale microalgae-based liquid biofuel application. Microalgae component pyrolysis mechanism should be researched to optimal pyrolysis process parameters. In this study, single pyrolysis and co-pyrolysis of microalgal components (model compounds castor oil, soybean protein and glucose) were conducted to reveal interaction between them by thermogrametric analysis and bio-crude evaluation. Castor oil (model compound of lipid) has higher pyrolysis temperature than other model compounds and has the maximum contribution to bio-crude formation. Bio-crude from soybean protein has higher N-heterocyclic compounds as well as phenols, which could be important aromatic hydrocarbon source during biorefineries and alternative aviation biofuel production. Potential interaction pathways based on model compounds are recommended including further decomposition of Maillard reaction products (MRPs) and surfactant synthesis, which indicate that glucose played an important role on pyrolysis of microalgal protein and lipid components. The results should provide necessary information for microalgae pyrolysis process optimization and large-scale pyrolysis reactor design.

  8. Response of Bioluminescent Bacteria to Alkyltin Compounds.

    Science.gov (United States)

    1987-12-01

    found in the butyltiri series of compounds; tributyltin was (’Stimes more toxic than dibutyltin and (- 50 times more toxic than (mono)butyltin. When...correlations between compounds, tributyltin was -35 tine more Kicrotxit and fish bLoessays for pure toxic than dibutyltin end -750 times More compounds and...the compounds as a decrease in toxicity (5) tributyltin compounds ea -150 tines more and a method to study synergistic andtoxic than trinethyltia

  9. Conceptual Design and Performance Analysis for a Large Civil Compound Helicopter

    Science.gov (United States)

    Russell, Carl; Johnson, Wayne

    2012-01-01

    A conceptual design study of a large civil compound helicopter is presented. The objective is to determine how a compound helicopter performs when compared to both a conventional helicopter and a tiltrotor using a design mission that is shorter than optimal for a tiltrotor and longer than optimal for a helicopter. The designs are generated and analyzed using conceptual design software and are further evaluated with a comprehensive rotorcraft analysis code. Multiple metrics are used to determine the suitability of each design for the given mission. Plots of various trade studies and parameter sweeps as well as comprehensive analysis results are presented. The results suggest that the compound helicopter examined for this study would not be competitive with a tiltrotor or conventional helicopter, but multiple possibilities are identified for improving the performance of the compound helicopter in future research.

  10. Ultrasound-Assisted Extraction of Total Phenolic Compounds from Inula helenium

    Directory of Open Access Journals (Sweden)

    Jin Wang

    2013-01-01

    Full Text Available Ultrasound-assisted extraction (UAE of phenolic compounds from Inula helenium was studied. Effects of ethanol concentration, ultrasonic time, solid-liquid ratio, and number of extractions were investigated. An orthogonal array was constructed to optimize UAE process. The optimized extraction conditions were as follows: ethanol concentration, 30%; solid-liquid ratio, 1 : 20; number of extractions, 2 times; extraction time, 30 min. Under the optimal conditions, the yield of total phenolic compounds and chlorogenic acid was 6.13±0.58 and 1.32±0.17 mg/g, respectively. The results showed that high amounts of phenolic compounds can be extracted from I. helenium by ultrasound-assisted extraction technology.

  11. Euler's fluid equations: Optimal control vs optimization

    International Nuclear Information System (INIS)

    Holm, Darryl D.

    2009-01-01

    An optimization method used in image-processing (metamorphosis) is found to imply Euler's equations for incompressible flow of an inviscid fluid, without requiring that the Lagrangian particle labels exactly follow the flow lines of the Eulerian velocity vector field. Thus, an optimal control problem and an optimization problem for incompressible ideal fluid flow both yield the same Euler fluid equations, although their Lagrangian parcel dynamics are different. This is a result of the gauge freedom in the definition of the fluid pressure for an incompressible flow, in combination with the symmetry of fluid dynamics under relabeling of their Lagrangian coordinates. Similar ideas are also illustrated for SO(N) rigid body motion.

  12. Load flow optimization and optimal power flow

    CERN Document Server

    Das, J C

    2017-01-01

    This book discusses the major aspects of load flow, optimization, optimal load flow, and culminates in modern heuristic optimization techniques and evolutionary programming. In the deregulated environment, the economic provision of electrical power to consumers requires knowledge of maintaining a certain power quality and load flow. Many case studies and practical examples are included to emphasize real-world applications. The problems at the end of each chapter can be solved by hand calculations without having to use computer software. The appendices are devoted to calculations of line and cable constants, and solutions to the problems are included throughout the book.

  13. Optimal Training Systems STTR

    National Research Council Canada - National Science Library

    Best, Brad; Lovett, Marsha

    2005-01-01

    .... Using an optimal model of task performance subject to human constraints may be a more efficient way to develop models of skilled human performance for use in training, especially since optimal models...

  14. Optimal Alarm Systems

    Data.gov (United States)

    National Aeronautics and Space Administration — An optimal alarm system is simply an optimal level-crossing predictor that can be designed to elicit the fewest false alarms for a fixed detection probability. It...

  15. Optimization under Uncertainty

    KAUST Repository

    Lopez, Rafael H.

    2016-01-01

    in optimization, the so called the reliability based design. Subsequently, we present the risk optimization approach, which includes the expected costs of failure in the objective function. After that the basic description of each approach is given, the projects

  16. Pathway Design, Engineering, and Optimization.

    Science.gov (United States)

    Garcia-Ruiz, Eva; HamediRad, Mohammad; Zhao, Huimin

    The microbial metabolic versatility found in nature has inspired scientists to create microorganisms capable of producing value-added compounds. Many endeavors have been made to transfer and/or combine pathways, existing or even engineered enzymes with new function to tractable microorganisms to generate new metabolic routes for drug, biofuel, and specialty chemical production. However, the success of these pathways can be impeded by different complications from an inherent failure of the pathway to cell perturbations. Pursuing ways to overcome these shortcomings, a wide variety of strategies have been developed. This chapter will review the computational algorithms and experimental tools used to design efficient metabolic routes, and construct and optimize biochemical pathways to produce chemicals of high interest.

  17. Generalized nonimaging compound elliptical and compound hyperbolic luminaire designs for pair-overlap illumination applications.

    Science.gov (United States)

    Georlette, O; Gordon, J M

    1994-07-01

    Generalized nonimaging compound elliptical luminaires (CEL's) and compound hyperbolic luminaires (CHL's) are developed for pair-overlap illumination applications. A comprehensive analysis of CEL's and CHL's is presented. This includes the possibility of reflector truncation, as well as the extreme direction that spans the full range from positive to negative. Negative extreme direction devices have been overlooked in earlier studies and are shown to be well suited to illumination problems for which large cutoff angles are required. Flux maps can be calculated analytically without the need for computer ray tracing. It is demonstrated that, for a broad range of cutoff angles, adjacent pairs of CEL's and CHL's can generate highly uniform far-field illuminance while maintaining maximal lighting efficiency and excellent glare control. The trade-off between luminaire compactness and flux homogeneity is also illustrated. For V troughs, being a special case of CHL's and being well suited to simple, inexpensive fabri ation, we identify geometries that closely approach the performance characteristics of the optimized CEL's and CHL's.

  18. Pseudolinear functions and optimization

    CERN Document Server

    Mishra, Shashi Kant

    2015-01-01

    Pseudolinear Functions and Optimization is the first book to focus exclusively on pseudolinear functions, a class of generalized convex functions. It discusses the properties, characterizations, and applications of pseudolinear functions in nonlinear optimization problems.The book describes the characterizations of solution sets of various optimization problems. It examines multiobjective pseudolinear, multiobjective fractional pseudolinear, static minmax pseudolinear, and static minmax fractional pseudolinear optimization problems and their results. The authors extend these results to locally

  19. Optimization algorithms and applications

    CERN Document Server

    Arora, Rajesh Kumar

    2015-01-01

    Choose the Correct Solution Method for Your Optimization ProblemOptimization: Algorithms and Applications presents a variety of solution techniques for optimization problems, emphasizing concepts rather than rigorous mathematical details and proofs. The book covers both gradient and stochastic methods as solution techniques for unconstrained and constrained optimization problems. It discusses the conjugate gradient method, Broyden-Fletcher-Goldfarb-Shanno algorithm, Powell method, penalty function, augmented Lagrange multiplier method, sequential quadratic programming, method of feasible direc

  20. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  1. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  2. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  3. The Electrochemistry of Organophosphorus Compounds.

    Science.gov (United States)

    1988-01-20

    of hydrogen on the electrode surface. Mechanistkc views are further developed with the addition of water resulting in the formation of...the exclusive vlide product. Furthermore, carbonvl compounds were added to the electrolyses to react with the electrochemically-generated ylides via...the Wittig reaction. The resulting olefins were found to catalytically isomerize from the Z isomer to the E isomer upon reduction. The role of water

  4. Compound semiconductor optical waveguide switch

    Science.gov (United States)

    Spahn, Olga B.; Sullivan, Charles T.; Garcia, Ernest J.

    2003-06-10

    An optical waveguide switch is disclosed which is formed from III-V compound semiconductors and which has a moveable optical waveguide with a cantilevered portion that can be bent laterally by an integral electrostatic actuator to route an optical signal (i.e. light) between the moveable optical waveguide and one of a plurality of fixed optical waveguides. A plurality of optical waveguide switches can be formed on a common substrate and interconnected to form an optical switching network.

  5. A bitumen compound for pavements

    Energy Technology Data Exchange (ETDEWEB)

    Kanadzava, K.; Simagata, R.

    1982-08-17

    A bitumen compound is proposed which is produced through addition of finely ground coal ash to a bituminous material and subsequent homogenization of the mixture. The following may be used as the bituminous material: solid petroleum bitumen (a penetration of 10 to 150), soft petroleum bitumen (a penetration of 150 to 500), a semioxidized bitumen, a mixture of semioxidized and directly distilled bitumen, bitumen diluted by a petroleum distillate, bituminous mixtures which include rubber, tar, synthetic resins and so on. It is best to use wastes from central thermal electric power plants (TETs), which operate on coal, with a great content of oxides of aluminum, iron and calcium, as the coal ash. The ash is added to the bitumen in a volume of 10 to 40 percent. The compound may include a surfactant (PAV), dispersers, additives which increase the stability to layering and others. The compound is marked by increased resistance to softening in the summer, reduced brittleness at low temperatures and good adhesion to a filler.

  6. Polyfluoroalkyl compounds in landfill leachates

    International Nuclear Information System (INIS)

    Busch, Jan; Ahrens, Lutz; Sturm, Renate; Ebinghaus, Ralf

    2010-01-01

    Polyfluoroalkyl compounds (PFCs) are widely used in industry and consumer products. These products could end up finally in landfills where their leachates are a potential source for PFCs into the aqueous environment. In this study, samples of untreated and treated leachate from 22 landfill sites in Germany were analysed for 43 PFCs. ΣPFC concentrations ranged from 31 to 12,819 ng/L in untreated leachate and 4-8060 ng/L in treated leachate. The dominating compounds in untreated leachate were perfluorobutanoic acid (PFBA) (mean contribution 27%) and perfluorobutane sulfonate (PFBS) (24%). The discharge of PFCs into the aqueous environment depended on the cleaning treatment systems. Membrane treatments (reverse osmosis and nanofiltrations) and activated carbon released lower concentrations of PFCs into the environment than cleaning systems using wet air oxidation or only biological treatment. The mass flows of ΣPFCs into the aqueous environment ranged between 0.08 and 956 mg/day. - The first comprehensive survey of polyfluoroalkyl compounds (PFCs) in landfill leachates.

  7. Optimization and optimal control in automotive systems

    CERN Document Server

    Kolmanovsky, Ilya; Steinbuch, Maarten; Re, Luigi

    2014-01-01

    This book demonstrates the use of the optimization techniques that are becoming essential to meet the increasing stringency and variety of requirements for automotive systems. It shows the reader how to move away from earlier  approaches, based on some degree of heuristics, to the use of  more and more common systematic methods. Even systematic methods can be developed and applied in a large number of forms so the text collects contributions from across the theory, methods and real-world automotive applications of optimization. Greater fuel economy, significant reductions in permissible emissions, new drivability requirements and the generally increasing complexity of automotive systems are among the criteria that the contributing authors set themselves to meet. In many cases multiple and often conflicting requirements give rise to multi-objective constrained optimization problems which are also considered. Some of these problems fall into the domain of the traditional multi-disciplinary optimization applie...

  8. Studying the propensity of compounds to supersaturate

    DEFF Research Database (Denmark)

    Palmelund, Henrik; Madsen, Cecilie Maria; Christensen, Jakob Plum

    2016-01-01

    Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations of supersatura......Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations...... of supersaturation to study has previously been very inconsistent. This makes comparisons between studies and compounds difficult, as the propensity of compounds to supersaturate varies greatly. This study presents a standardized method to study the supersaturation of drug compounds. The method allows, both......, for a ranking of compounds according to their supersaturation propensity and the effectiveness of precipitation inhibitors. The time-concentration profile of supersaturation and precipitation was studied in situ for 4 different concentrations for 6 model compounds (albendazole, aprepitant, danazol, felodipine...

  9. Optimization of the Analytical Method Using HPLC with Fluorescence Detection to Determine Selected Polycyclic Aromatic Compounds in Clean Water Samples; Optimizacion del Metodo Analitico mediante HPLC con Detector de Fluorescencia para la Determinacion de Ciertos Compuestos Aromaticos Policiclicos en Muestras de Aguas Limpias

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Alonso, S.; Perez Pastor, R. M.

    2013-10-01

    A study on the comparison and evaluation of 3 miniaturized extraction methods for the determination of selected PACs in clear waters is presented. Three types of liquid-liquid extraction were used for chromatographic analysis by HPLC with fluorescence detection. The main objective was the optimization and development of simple, rapid and low cost methods, minimizing the use of extracting solvent volume. The work also includes a study on the scope of the methods developed at low and high levels of concentration and intermediate precision. (Author)

  10. Compounding medications in a rural setting: an interprofessional perspective

    Directory of Open Access Journals (Sweden)

    Taylor S

    2018-04-01

    Full Text Available Selina Taylor,1 Catherine Hays,1 Beverley Glass2 1Mount Isa Centre for Rural and Remote Health, James Cook University, Mount Isa, QLD, Australia; 2College of Medicine and Dentistry, James Cook University, Townsville, QLD, Australia Background: Interprofessional learning (IPL which focuses on the pharmacist’s role in specialty practices as part of a multidisciplinary health care team has not been explored. This study aimed to determine health care students’ understanding of the role of the pharmacist in compounding medications to optimize health outcomes for patients in rural and remote health care services.Methods: Four workshops followed by focus group interviews were conducted with undergraduate pharmacy, medical, nursing, physiotherapy, dentistry, Aboriginal public health, and speech pathology students (n=15. After an introductory lecture, students working in multidisciplinary teams undertook to compound three products. Focus groups were held at the end of the compounding workshops to explore students’ understanding and perceptions of these compounding activities. Thematic analysis was undertaken on the qualitative data obtained from the focus groups.Results: Student participants responded positively both to the opportunity to undertake a compounding exercise and being part of an interprofessional team, perceiving benefit for their future rural and remote health practice. Four major themes emerged from the qualitative analysis: improved knowledge and understanding; application to practice; interprofessional collaboration; and rural, remote, and Indigenous context. Students acknowledged that the workshops improved their understanding of the role of the pharmacist in compounding and how they, as part of a multidisciplinary team, could deliver better health outcomes for patients with special needs, especially in a rural and remote context.Conclusion: This study highlights that workshops of this nature have a role to play in developing

  11. Methods of mathematical optimization

    Science.gov (United States)

    Vanderplaats, G. N.

    The fundamental principles of numerical optimization methods are reviewed, with an emphasis on potential engineering applications. The basic optimization process is described; unconstrained and constrained minimization problems are defined; a general approach to the design of optimization software programs is outlined; and drawings and diagrams are shown for examples involving (1) the conceptual design of an aircraft, (2) the aerodynamic optimization of an airfoil, (3) the design of an automotive-engine connecting rod, and (4) the optimization of a 'ski-jump' to assist aircraft in taking off from a very short ship deck.

  12. Optimization theory with applications

    CERN Document Server

    Pierre, Donald A

    1987-01-01

    Optimization principles are of undisputed importance in modern design and system operation. They can be used for many purposes: optimal design of systems, optimal operation of systems, determination of performance limitations of systems, or simply the solution of sets of equations. While most books on optimization are limited to essentially one approach, this volume offers a broad spectrum of approaches, with emphasis on basic techniques from both classical and modern work.After an introductory chapter introducing those system concepts that prevail throughout optimization problems of all typ

  13. Concepts of combinatorial optimization

    CERN Document Server

    Paschos, Vangelis Th

    2014-01-01

    Combinatorial optimization is a multidisciplinary scientific area, lying in the interface of three major scientific domains: mathematics, theoretical computer science and management.  The three volumes of the Combinatorial Optimization series aim to cover a wide range  of topics in this area. These topics also deal with fundamental notions and approaches as with several classical applications of combinatorial optimization.Concepts of Combinatorial Optimization, is divided into three parts:- On the complexity of combinatorial optimization problems, presenting basics about worst-case and randomi

  14. Introduction to Continuous Optimization

    DEFF Research Database (Denmark)

    Andreasson, Niclas; Evgrafov, Anton; Patriksson, Michael

    optimal solutions for continuous optimization models. The main part of the mathematical material therefore concerns the analysis and linear algebra that underlie the workings of convexity and duality, and necessary/sufficient local/global optimality conditions for continuous optimization problems. Natural...... algorithms are then developed from these optimality conditions, and their most important convergence characteristics are analyzed. The book answers many more questions of the form “Why?” and “Why not?” than “How?”. We use only elementary mathematics in the development of the book, yet are rigorous throughout...

  15. labelling of some pharmaceutical compounds with radioiodine

    International Nuclear Information System (INIS)

    Ahmed, N.F.M.

    2001-01-01

    electrophilic radioiodination of three of medically important compounds namely, pindolol (Pin) , benzamide (s(-)BZM) and lysuride (LIS) was carried out by using several oxidizing agents such as chloramine- T, iodogen, iodine monochloride at room temperature and hydrogen peroxide at 100 0 C. the factors affecting the percent radiochemical yield such as substrate concentration, Ph, oxidizing agent concentration , reaction time and the concentration of K1 carrier were studied. the conditions, which gave high radiochemical yield, were summarized in one reaction to give the optimum radiochemical yield . optimization of the radiochemical yield resulted in 90% for radioiodobenzamide ( * IBZM) when the reaction was carried out in 0.1 M phosphate buffer (Ph-3) or in ammonium acetate buffer (ph=4) for 5 minutes reaction time . A radiochemical yield of 50% of * IPIN was obtained when the reaction was carried out in 0.1 M phosphate buffer (Ph=7) for 30 min. a radiochemical yield of 70% of * ILIS was obtained when the reaction was affected in 0.1 M phosphate buffer (Ph=7) within 30 min reaction time

  16. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new

  17. Evolutionary constrained optimization

    CERN Document Server

    Deb, Kalyanmoy

    2015-01-01

    This book makes available a self-contained collection of modern research addressing the general constrained optimization problems using evolutionary algorithms. Broadly the topics covered include constraint handling for single and multi-objective optimizations; penalty function based methodology; multi-objective based methodology; new constraint handling mechanism; hybrid methodology; scaling issues in constrained optimization; design of scalable test problems; parameter adaptation in constrained optimization; handling of integer, discrete and mix variables in addition to continuous variables; application of constraint handling techniques to real-world problems; and constrained optimization in dynamic environment. There is also a separate chapter on hybrid optimization, which is gaining lots of popularity nowadays due to its capability of bridging the gap between evolutionary and classical optimization. The material in the book is useful to researchers, novice, and experts alike. The book will also be useful...

  18. Interactive Topology Optimization

    DEFF Research Database (Denmark)

    Nobel-Jørgensen, Morten

    Interactivity is the continuous interaction between the user and the application to solve a task. Topology optimization is the optimization of structures in order to improve stiffness or other objectives. The goal of the thesis is to explore how topology optimization can be used in applications...... on theory of from human-computer interaction which is described in Chapter 2. Followed by a description of the foundations of topology optimization in Chapter 3. Our applications for topology optimization in 2D and 3D are described in Chapter 4 and a game which trains the human intuition of topology...... optimization is presented in Chapter 5. Topology optimization can also be used as an interactive modeling tool with local control which is presented in Chapter 6. Finally, Chapter 7 contains a summary of the findings and concludes the dissertation. Most of the presented applications of the thesis are available...

  19. Particle Swarm Optimization

    Science.gov (United States)

    Venter, Gerhard; Sobieszczanski-Sobieski Jaroslaw

    2002-01-01

    The purpose of this paper is to show how the search algorithm known as particle swarm optimization performs. Here, particle swarm optimization is applied to structural design problems, but the method has a much wider range of possible applications. The paper's new contributions are improvements to the particle swarm optimization algorithm and conclusions and recommendations as to the utility of the algorithm, Results of numerical experiments for both continuous and discrete applications are presented in the paper. The results indicate that the particle swarm optimization algorithm does locate the constrained minimum design in continuous applications with very good precision, albeit at a much higher computational cost than that of a typical gradient based optimizer. However, the true potential of particle swarm optimization is primarily in applications with discrete and/or discontinuous functions and variables. Additionally, particle swarm optimization has the potential of efficient computation with very large numbers of concurrently operating processors.

  20. The discovery of bioisoster compound for plumbagin using the knowledge-based rational method

    Science.gov (United States)

    Jeong, Seo Hee; Choi, Jung Sup; Ko, Young Kwan; Kang, Nam Sook

    2015-04-01

    Arabidopsis thaliana 7-Keto-8-AminoPelargonic Acid Synthase (AtKAPAS) is a crucial herbicide target, and AtKAPAS inhibitors are widely available in the agrochemical market. The herbicide plumbagin is known as a potent inhibitor for AtKAPAS but it is extremely toxic. In this study, we identified the metabolic site of plumbagin and also performed a similarity-based library analysis using 2D fingerprints and a docking study. Four compounds as virtual hits were derived from plumbagin. Treatment of Digitaria ciliaris with compound 2, one of four hit compounds, stunted the growth of leaves and the leaf tissue was desiccated or burned within three days. Thus, we expect that compound 2 will be developed as a new herbicide and additionally our strategy will provide helpful information for optimizing lead compounds.

  1. Analysis of Volatile Compounds from Solanumbetaceum Cav. Fruits from Panama by Head-Space Micro Extraction

    Directory of Open Access Journals (Sweden)

    Armando A. Durant

    2013-01-01

    Full Text Available The characterization of the volatile compounds of two varieties of Solanum betaceum Cav. by means of headspace solid-phase microextraction (HS-SPME coupled with gas chromatography-mass spectrometry ( GC-MS i s presented. The HS-SPME method for extraction of the volatiles compounds was optimized by using a 2 3 central composite design. Maximum extraction of volatile compounds was achieved by using a divinylbenzene-carboxen-polydimethylsiloxane (DVB/CAR/PDMS fiber, extraction temperature 76° C, incubation time 44 min, and extraction time of 46 min. The main types of compounds detected in both varieties are terpenoids, followed by aromatics, esters, and aldehydes. Golden-yellow cultivars contained higher levels of esters and terpenes, while the reddish-purple variety contained a significant amount of aromatic compounds. The data structure of the chemical information obtained as well as the relationship between variables was evaluated by means of principal component analysis and cluster analysis.

  2. The venom optimization hypothesis revisited.

    Science.gov (United States)

    Morgenstern, David; King, Glenn F

    2013-03-01

    Animal venoms are complex chemical mixtures that typically contain hundreds of proteins and non-proteinaceous compounds, resulting in a potent weapon for prey immobilization and predator deterrence. However, because venoms are protein-rich, they come with a high metabolic price tag. The metabolic cost of venom is sufficiently high to result in secondary loss of venom whenever its use becomes non-essential to survival of the animal. The high metabolic cost of venom leads to the prediction that venomous animals may have evolved strategies for minimizing venom expenditure. Indeed, various behaviors have been identified that appear consistent with frugality of venom use. This has led to formulation of the "venom optimization hypothesis" (Wigger et al. (2002) Toxicon 40, 749-752), also known as "venom metering", which postulates that venom is metabolically expensive and therefore used frugally through behavioral control. Here, we review the available data concerning economy of venom use by animals with either ancient or more recently evolved venom systems. We conclude that the convergent nature of the evidence in multiple taxa strongly suggests the existence of evolutionary pressures favoring frugal use of venom. However, there remains an unresolved dichotomy between this economy of venom use and the lavish biochemical complexity of venom, which includes a high degree of functional redundancy. We discuss the evidence for biochemical optimization of venom as a means of resolving this conundrum. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Volatile flavor compounds in yogurt: a review.

    Science.gov (United States)

    Cheng, Hefa

    2010-11-01

    Considerable knowledge has been accumulated on the volatile compounds contributing to the aroma and flavor of yogurt. This review outlines the production of the major flavor compounds in yogurt fermentation and the analysis techniques, both instrumental and sensory, for quantifying the volatile compounds in yogurt. The volatile compounds that have been identified in plain yogurt are summarized, with the few key aroma compounds described in detail. Most flavor compounds in yogurt are produced from lipolysis of milkfat and microbiological transformations of lactose and citrate. More than 100 volatiles, including carbonyl compounds, alcohols, acids, esters, hydrocarbons, aromatic compounds, sulfur-containing compounds, and heterocyclic compounds, are found in yogurt at low to trace concentrations. Besides lactic acid, acetaldehyde, diacetyl, acetoin, acetone, and 2-butanone contribute most to the typical aroma and flavor of yogurt. Extended storage of yogurt causes off-flavor development, which is mainly attributed to the production of undesired aldehydes and fatty acids during lipid oxidation. Further work on studying the volatile flavor compounds-matrix interactions, flavor release mechanisms, and the synergistic effect of flavor compounds, and on correlating the sensory properties of yogurt with the compositions of volatile flavor compounds are needed to fully elucidate yogurt aroma and flavor.

  4. Structural investigation of a new antimicrobial thiazolidine compound

    Energy Technology Data Exchange (ETDEWEB)

    Cozar, I. B.; Pîrnău, A. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Street, RO-400293 Cluj-Napoca (Romania); Vedeanu, N.; Nastasă, C. [Iuliu Hatieganu University of Medicine and Pharmacy, Faculty of Pharmacy, RO-400023 Cluj-Napoca (Romania)

    2013-11-13

    Thiazoles and their derivatives have attracted the interest over the last decades because of their varied biological activities: antibacterial, antiviral, antifungal, inflammation or in the treatment of allergies. A new synthesized compound 3-[2-(4-Methyl-2-phenyl-thiazol-5-yl)-2-oxo-ethyl]-thazolidine-2,4-dione was investigated by FT-IR, FT-Raman, {sup 1}H, {sup 13}C NMR spectroscopies and also by DFT calculations at B3LYP/6-31G(d) level of theory. The very good correlation found between the experimental and theoretical data shows that the optimized molecular structure is very close to reality. Also the NMR spectra show a monomeric behaviour of this compound in solutions.

  5. Nitrogen Compounds in Radiation Chemistry

    International Nuclear Information System (INIS)

    Sims, H.E.; Dey, G.R.; Vaudey, C.E.; Peaucelle, C.; Boucher, J.L.; Toulhoat, N.; Bererd, N.; Koppenol, W.H.; Janata, E.; Dauvois, V.; Durand, D.; Legand, S.; Roujou, J.L.; Doizi, D.; Dannoux, A.; Lamouroux, C.

    2009-01-01

    Water radiolysis in presence of N 2 is probably the topic the most controversy in the field of water radiolysis. It still exists a strong discrepancy between the different reports of ammonia formation by water radiolysis in presence of N 2 and moreover in absence of oxygen there is no agreement on the formation or not of nitrogen oxide like NO 2 - and NO 3 -. These discrepancies come from multiple sources: - the complexity of the reaction mechanisms where nitrogen is involved - the experimental difficulties - and, the irradiation conditions. The aim of the workshop is to capitalize the knowledge needed to go further in simulations and understanding the problems caused (or not) by the presence of nitrogen / water in the environment of radioactive materials. Implications are evident in terms of corrosion, understanding of biological systems and atmospheric chemistry under radiation. Topics covered include experimental and theoretical approaches, application and fundamental researches: - Nitrate and Ammonia in radiation chemistry in nuclear cycle; - NOx in biological systems and atmospheric chemistry; - Formation of Nitrogen compounds in Nuclear installations; - Nitrogen in future power plant projects (Gen4, ITER...) and large particle accelerators. This document gathers the transparencies available for 7 of the presentations given at this workshop. These are: - H.E SIMS: 'Radiation Chemistry of Nitrogen Compounds in Nuclear Power Plant'; - G.R. DEY: 'Nitrogen Compounds Formation in the Radiolysis of Aqueous Solutions'; - C.E. VAUDEY et al.: 'Radiolytic corrosion of nuclear graphite studied with the dedicated gas irradiation cell of IPNL'; - J.L. BOUCHER: 'Roles and biosynthesis of NO in eukaryotes and prokaryotes'; - W.H. KOPPENOL: 'Chemistry of NOx'; - E. JANATA: 'Yield of OH in N 2 O saturated aqueous solution'; - V. DAUVOIS: 'Analytical strategy for the study of radiolysis gases'

  6. DNA modification by alkylating compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kruglyakova, E.E.

    1985-09-01

    Results are given for research on the physico-chemical properties of alkylating compounds - nitroso alkyl ureas (NAU) which possess a broad spectrum of biological activity, such as mutagenic, carcinogenic, and anti-tumor action that is due to the alkylation and carbamoylation of DNA as well as other cellular components. Identified chemical products of NAU interaction with DNA and its components are cited. Structural conversions of a DNA macromolecule resulting from its chemical modification are examined. NAU are used to discuss possible biological consequences of DNA modification. 148 references.

  7. Unpacking Noun-Noun Compounds

    DEFF Research Database (Denmark)

    Smith, Viktor; Barratt, Daniel; Zlatev, Jordan

    2014-01-01

    In two complementary experiments we took an integrated approach to a set of tightly interwoven, yet rarely combined questions concerning the spontaneous interpretation of novel (unfamiliar) noun-noun compounds (NNCs) when encountered in isolation, and possible (re)interpretations of novel as well...... concerning the relations between semantics and pragmatics, as well as system and usage, and psycholinguistic issues concerning the processing of NNCs. New insights and methodological tools are also provided for supporting future best practices in the field of food naming and labelling...

  8. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  9. Selenium-containing indolyl compounds

    DEFF Research Database (Denmark)

    Casaril, Angela M; Ignasiak, Marta T; Chuang, Christine Y

    2017-01-01

    materials, including extracellular matrix (ECM) proteins, within the artery wall. Here we investigated the potential of selenium-containing indoles to afford protection against these oxidants, by determining rate constants (k) for their reaction, and quantifying the extent of damage on isolated ECM proteins......Tyr on HCAEC-ECM were also reduced. These data demonstrate that the novel selenium-containing compounds show high reactivity with oxidants and may modulate oxidative and nitrosative damage at sites of inflammation, contributing to a reduction in tissue dysfunction and atherogenesis....

  10. Benzimidazoles: A biologically active compounds

    Directory of Open Access Journals (Sweden)

    Salahuddin

    2017-02-01

    Full Text Available Synthesis of commercially available benzimidazole involves condensation of o-phenylenediamine with formic acid. The most prominent benzimidazole compound in nature is N-riosyldimethylbenzimidazole, which serves as a axial ligand for cobalt in vitamin B12. The benzimidazole and its derivatives play a very important role as a therapeutic agent e.g. antiulcer and anthelmintic drugs. Apart from this the benzimidazole derivatives exhibit pharmacological activities such as antimicrobial, antiviral, anticancer, anti-inflammatory, analgesic, etc. The substituted benzimidazoles are summarized in this review to know about the chemistry as well as pharmacological activities.

  11. Characterisation of selected volatile organic compounds in ...

    African Journals Online (AJOL)

    GCMS), was used to identify volatile compounds at three different temperatures. Fifty volatile compounds, inclusive of 14 acids, 14 alcohols, and 22 esters were identified and quantified in the two brands of indigenous banana beer samples. Only 12 ...

  12. Genetic effects of organic mercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C

    1967-01-01

    Studies on the genetic and developmental effects of organic mercury compounds on lilies, drosophila, and ice were carried out. It was found that chromosomal and developmental abnormalities were correlated with the administration of mercury compounds.

  13. Butyl Rubber: Compound Development and Characterization

    National Research Council Canada - National Science Library

    Sloan, James

    2000-01-01

    ...), to develop the standard butyl rubber compound. The strategy of this work was to compound- and compression-mold high-quality, uniform butyl rubber experimental sheets and to evaluate their cure properties, mechanical properties...

  14. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying; He, Hongping; Schulz, Stefan; Liu, Xin; Fusetani, Nobushino; Xiong, Hairong; Xiao, Xiang; Qian, Peiyuan

    2010-01-01

    of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared

  15. Aroma compounds in fresh cut pomegranate arils.

    Science.gov (United States)

    Little published information exists regarding flavor and aroma compounds in pomegranate (Punica granatum). Although arils have fruity and sweet characteristics, we found no publications describing actual compounds responsible for their typical flavor. Since most commercial usage of pomegranates in...

  16. [Determination of flavor compounds in foxtail millet wine by gas chromatography-mass spectrometry coupled with headspace solid phase microextraction].

    Science.gov (United States)

    Liu, Jingke; Zhang, Aixia; Li, Shaohui; Zhao, Wei; Zhang, Yuzong; Xing, Guosheng

    2017-11-08

    To comprehensively understand flavor compounds and aroma characteristics of foxtail millet wine, extraction conditions were optimized with 85 μm polyacrylate (PA), 100 μm polydimethylsiloxane (PDMS), 75 μm carboxen (CAR)/PDMS and 50/30 μm divinylbenzene (DVB)/CAR/PDMS fibers. The flavor compounds in foxtail millet wine were investigated by gas chromatography-mass spectrometry (GC-MS) coupled with headspace solid phase microextraction (HS-SPME), and the odor characteristics and intensity were analyzed by odor active values (OAVs). The samples of 8 mL were placed in headspace vials with 1.5 g NaCl, then the headspace vials were heated at 60℃ for 40 min. Using HS-SPME with different fibers, a total of 55 flavor compounds were identified from the samples, including alcohols, esters, benzene derivatives, hydrocarbons, acids, aldehydes, ketones, terpenes, phenols and heterocycle compounds. The main flavor compounds were alcohols compounds. According to their OAVs, phenylethyl alcohol, styrene, 1-methyl-naphthalene, 2-methyl-naphthalene, benzaldehyde, benzeneacetaldehyde and 2-methoxy-phenol were established to be odor-active compounds. Phenylethyl alcohol and benzeneacetaldehyde were the most prominent odor-active compounds. PA and PDMS fibers had good extraction effect for polar and nonpolar compounds, respectively. CAR/PDMS and DVB/CAR/PDMS provided a similar compounds profile for moderate polar compounds. This research comprehensively determined flavor compounds of foxtail millet wine, and provided theoretical basis for product development and quality control.

  17. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines.

  18. The Stability of Bioactive Compounds in Spaceflight Foods

    Science.gov (United States)

    Cooper, M. R.; Douglas, G. L.

    2017-01-01

    . Because of the limited number of foods with high concentrations of the bioactive compounds, additional menu variety, formulation optimization, and reduced temperature storage will be required to ensure delivery of several bioactive compounds in the space food system. Validation of stability to five years will enable provisioning of these functional foods within the space food system for a mission to Mars.

  19. Semiconducting compounds and devices incorporating same

    Science.gov (United States)

    Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

    2016-01-19

    Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

  20. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1976-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction which is at least enriched with one of the compounds of the mixture. 17 claims, no drawings

  1. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1975-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction that is at least enriched with one of the compounds of the mixture. (U.S.)

  2. Thin films of mixed metal compounds

    Science.gov (United States)

    Mickelsen, Reid A.; Chen, Wen S.

    1985-01-01

    A compositionally uniform thin film of a mixed metal compound is formed by simultaneously evaporating a first metal compound and a second metal compound from independent sources. The mean free path between the vapor particles is reduced by a gas and the mixed vapors are deposited uniformly. The invention finds particular utility in forming thin film heterojunction solar cells.

  3. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  4. Superconductivity in graphite intercalation compounds

    International Nuclear Information System (INIS)

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P.M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-01-01

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC 6 and YbC 6 in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition

  5. Antimicrobial compounds of porcine mucosa

    Science.gov (United States)

    Kotenkova, E. A.; Lukinova, E. A.; Fedulova, L. V.

    2017-09-01

    The aim of the study was to investigate porcine oral cavity mucosa (OCM), nasal cavity mucosa (NCM), rectal mucosa (RM) and tongue mucosa (TM) as sources of antimicrobial compounds. Ultrafiltrates with MW >30 kDa, MW 5-30 kDa and MW 30 kDa, the zone of microbial growth inhibition was 7.5 mm, for the MW<5 kDa fraction, it was 7 mm, and for MW 5-30 kDa fraction, it was 4.5 mm. No significant differences were found in high molecular weight proteomic profile, while qualitative and quantitative differences were observed in the medium and low molecular weight areas, especially in OCM and NCM. HPLC showed 221 tissue-specific peptides in OCM, 156 in NCM, 225 in RM, but only 5 in TM. The results observed confirmed porcine mucous tissues as a good source of antimicrobial compounds, which could be an actual alternative for reduction of microbial spoilage of foods.

  6. Workshop on Computational Optimization

    CERN Document Server

    2015-01-01

    Our everyday life is unthinkable without optimization. We try to minimize our effort and to maximize the achieved profit. Many real world and industrial problems arising in engineering, economics, medicine and other domains can be formulated as optimization tasks. This volume is a comprehensive collection of extended contributions from the Workshop on Computational Optimization 2013. It presents recent advances in computational optimization. The volume includes important real life problems like parameter settings for controlling processes in bioreactor, resource constrained project scheduling, problems arising in transport services, error correcting codes, optimal system performance and energy consumption and so on. It shows how to develop algorithms for them based on new metaheuristic methods like evolutionary computation, ant colony optimization, constrain programming and others.

  7. Optimal placement of capacito

    Directory of Open Access Journals (Sweden)

    N. Gnanasekaran

    2016-06-01

    Full Text Available Optimal size and location of shunt capacitors in the distribution system plays a significant role in minimizing the energy loss and the cost of reactive power compensation. This paper presents a new efficient technique to find optimal size and location of shunt capacitors with the objective of minimizing cost due to energy loss and reactive power compensation of distribution system. A new Shark Smell Optimization (SSO algorithm is proposed to solve the optimal capacitor placement problem satisfying the operating constraints. The SSO algorithm is a recently developed metaheuristic optimization algorithm conceptualized using the shark’s hunting ability. It uses a momentum incorporated gradient search and a rotational movement based local search for optimization. To demonstrate the applicability of proposed method, it is tested on IEEE 34-bus and 118-bus radial distribution systems. The simulation results obtained are compared with previous methods reported in the literature and found to be encouraging.

  8. Optimization of Inventory

    OpenAIRE

    PROKOPOVÁ, Nikola

    2017-01-01

    The subject of this thesis is optimization of inventory in selected organization. Inventory optimization is a very important topic in each organization because it reduces storage costs. At the beginning the inventory theory is presented. It shows the meaning and types of inventory, inventory control and also different methods and models of inventory control. Inventory optimization in the enterprise can be reached by using models of inventory control. In the second part the company on which is...

  9. Search engine optimization

    OpenAIRE

    Marolt, Klemen

    2013-01-01

    Search engine optimization techniques, often shortened to “SEO,” should lead to first positions in organic search results. Some optimization techniques do not change over time, yet still form the basis for SEO. However, as the Internet and web design evolves dynamically, new optimization techniques flourish and flop. Thus, we looked at the most important factors that can help to improve positioning in search results. It is important to emphasize that none of the techniques can guarantee high ...

  10. LOGISTICS OPTIMIZATION USING ONTOLOGIES

    OpenAIRE

    Hendi , Hayder; Ahmad , Adeel; Bouneffa , Mourad; Fonlupt , Cyril

    2014-01-01

    International audience; Logistics processes involve complex physical flows and integration of different elements. It is widely observed that the uncontrolled processes can decline the state of logistics. The optimization of logistic processes can support the desired growth and consistent continuity of logistics. In this paper, we present a software framework for logistic processes optimization. It primarily defines logistic ontologies and then optimize them. It intends to assist the design of...

  11. Optimization and approximation

    CERN Document Server

    Pedregal, Pablo

    2017-01-01

    This book provides a basic, initial resource, introducing science and engineering students to the field of optimization. It covers three main areas: mathematical programming, calculus of variations and optimal control, highlighting the ideas and concepts and offering insights into the importance of optimality conditions in each area. It also systematically presents affordable approximation methods. Exercises at various levels have been included to support the learning process.

  12. Dictionary descent in optimization

    OpenAIRE

    Temlyakov, Vladimir

    2015-01-01

    The problem of convex optimization is studied. Usually in convex optimization the minimization is over a d-dimensional domain. Very often the convergence rate of an optimization algorithm depends on the dimension d. The algorithms studied in this paper utilize dictionaries instead of a canonical basis used in the coordinate descent algorithms. We show how this approach allows us to reduce dimensionality of the problem. Also, we investigate which properties of a dictionary are beneficial for t...

  13. POSTDOC : THE HUMAN OPTIMIZATION

    OpenAIRE

    Satish Gajawada

    2013-01-01

    This paper is dedicated to everyone who is interested in the Artificial Intelligence. John Henry Holland proposed Genetic Algorithm in the early 1970s. Ant Colony Optimization was proposed by Marco Dorigo in 1992. Particle Swarm Optimization was introduced by Kennedy and Eberhart in 1995. Storn and Price introduced Differential Evolution in 1996. K.M. Passino introduced Bacterial Foraging Optimization Algorithm in 2002. In 2003, X.L. Li proposed Artificial Fish Swarm Algorithm....

  14. Antioxidant Phenolic Compounds from Pu-erh Tea

    Directory of Open Access Journals (Sweden)

    Shu Shan Du

    2012-11-01

    Full Text Available Eight compounds were isolated from the water extract of Pu-erh tea and their structures were elucidated by NMR and MS as gallic acid (1, (+-catechin (2, (−-epicatechin (3, (−-epicatechin-3-O-gallate (4, (−-epigallocatechin-3-O-gallate (5, (−-epiafzelechin- 3-O-gallate (6, kaempferol (7, and quercetin (8. Their in vitro antioxidant activities were assessed by the DPPH and ABTS scavenging methods with microplate assays. The relative order of DPPH scavenging capacity for these compounds was compound 8 > compound 7 > compound 1 > compound 6 > compound 4 ≈ compound 5 > compound 2 > VC (reference > compound 3, and that of ABTS scavenging capacity was compound 1 > compound 2 > compound 7 ≈ compound 8 > compound 6 > compound 5 > compound 4 > VC (reference > compound 3. The results showed that these phenolic compounds contributed to the antioxidant activity of Pu-erh tea.

  15. Optimization with Extremal Dynamics

    International Nuclear Information System (INIS)

    Boettcher, Stefan; Percus, Allon G.

    2001-01-01

    We explore a new general-purpose heuristic for finding high-quality solutions to hard discrete optimization problems. The method, called extremal optimization, is inspired by self-organized criticality, a concept introduced to describe emergent complexity in physical systems. Extremal optimization successively updates extremely undesirable variables of a single suboptimal solution, assigning them new, random values. Large fluctuations ensue, efficiently exploring many local optima. We use extremal optimization to elucidate the phase transition in the 3-coloring problem, and we provide independent confirmation of previously reported extrapolations for the ground-state energy of ±J spin glasses in d=3 and 4

  16. Maintenance optimization after RCM

    International Nuclear Information System (INIS)

    Doyle, E.K.; Lee, C.-G.; Cho, D.

    2005-01-01

    Variant forms of RCM (Reliability Centered Maintenance) have been the maintenance optimizing tools of choice in industry for the last 20 years. Several such optimization techniques have been implemented at the Bruce Nuclear Station. Further cost refinement of the Station preventive maintenance strategy whereby decisions are based on statistical analysis of historical failure data are now being evaluated. The evaluation includes a requirement to demonstrate that earlier optimization projects have long term positive impacts. This proved to be a significant challenge. Eventually a methodology was developed using Crowe/AMSAA (Army Materials Systems Analysis Activity) plots to justify expenditures on further optimization efforts. (authors)

  17. Sequential stochastic optimization

    CERN Document Server

    Cairoli, Renzo

    1996-01-01

    Sequential Stochastic Optimization provides mathematicians and applied researchers with a well-developed framework in which stochastic optimization problems can be formulated and solved. Offering much material that is either new or has never before appeared in book form, it lucidly presents a unified theory of optimal stopping and optimal sequential control of stochastic processes. This book has been carefully organized so that little prior knowledge of the subject is assumed; its only prerequisites are a standard graduate course in probability theory and some familiarity with discrete-paramet

  18. Optimization under Uncertainty

    KAUST Repository

    Lopez, Rafael H.

    2016-01-06

    The goal of this poster is to present the main approaches to optimization of engineering systems in the presence of uncertainties. We begin by giving an insight about robust optimization. Next, we detail how to deal with probabilistic constraints in optimization, the so called the reliability based design. Subsequently, we present the risk optimization approach, which includes the expected costs of failure in the objective function. After that the basic description of each approach is given, the projects developed by CORE are presented. Finally, the main current topic of research of CORE is described.

  19. Beam optimization: improving methodology

    International Nuclear Information System (INIS)

    Quinteiro, Guillermo F.

    2004-01-01

    Different optimization techniques commonly used in biology and food technology allow a systematic and complete analysis of response functions. In spite of the great interest in medical and nuclear physics in the problem of optimizing mixed beams, little attention has been given to sophisticate mathematical tools. Indeed, many techniques are perfectly suited to the typical problem of beam optimization. This article is intended as a guide to the use of two methods, namely Response Surface Methodology and Simplex, that are expected to fasten the optimization process and, meanwhile give more insight into the relationships among the dependent variables controlling the response

  20. Integer and combinatorial optimization

    CERN Document Server

    Nemhauser, George L

    1999-01-01

    Rave reviews for INTEGER AND COMBINATORIAL OPTIMIZATION ""This book provides an excellent introduction and survey of traditional fields of combinatorial optimization . . . It is indeed one of the best and most complete texts on combinatorial optimization . . . available. [And] with more than 700 entries, [it] has quite an exhaustive reference list.""-Optima ""A unifying approach to optimization problems is to formulate them like linear programming problems, while restricting some or all of the variables to the integers. This book is an encyclopedic resource for such f

  1. Optimization : insights and applications

    CERN Document Server

    Brinkhuis, Jan

    2005-01-01

    This self-contained textbook is an informal introduction to optimization through the use of numerous illustrations and applications. The focus is on analytically solving optimization problems with a finite number of continuous variables. In addition, the authors provide introductions to classical and modern numerical methods of optimization and to dynamic optimization. The book's overarching point is that most problems may be solved by the direct application of the theorems of Fermat, Lagrange, and Weierstrass. The authors show how the intuition for each of the theoretical results can be s

  2. Initiating statistical maintenance optimization

    International Nuclear Information System (INIS)

    Doyle, E. Kevin; Tuomi, Vesa; Rowley, Ian

    2007-01-01

    Since the 1980 s maintenance optimization has been centered around various formulations of Reliability Centered Maintenance (RCM). Several such optimization techniques have been implemented at the Bruce Nuclear Station. Further cost refinement of the Station preventive maintenance strategy includes evaluation of statistical optimization techniques. A review of successful pilot efforts in this direction is provided as well as initial work with graphical analysis. The present situation reguarding data sourcing, the principle impediment to use of stochastic methods in previous years, is discussed. The use of Crowe/AMSAA (Army Materials Systems Analysis Activity) plots is demonstrated from the point of view of justifying expenditures in optimization efforts. (author)

  3. Stochastic optimization methods

    CERN Document Server

    Marti, Kurt

    2008-01-01

    Optimization problems arising in practice involve random model parameters. This book features many illustrations, several examples, and applications to concrete problems from engineering and operations research.

  4. Bioavailability of dietary phenolic compounds: Review

    Directory of Open Access Journals (Sweden)

    Erick Gutiérrez-Grijalva Paul Gutiérrez-Grijalva

    2015-12-01

    Full Text Available Phenolic compounds are ubiquitous in plant-based foods. High dietary intake of fruits, vegetables and cereals is related to a decreased rate in chronic diseases. Phenolic compounds are thought to be responsible, at least in part, for those health effects. Nonetheless, phenolic compounds bioaccessibility and biotransformation is often not considered in these studies; thus, a precise mechanism of action of phenolic compounds is not known. In this review we aim to present a comprehensive knowledge of the metabolic processes through which phenolic compounds go after intake.

  5. Lead optimization of a pyridine-carboxamide series as DGAT-1 inhibitors.

    Science.gov (United States)

    Ting, Pauline C; Lee, Joe F; Zorn, Nicolas; Kim, Hyunjin M; Aslanian, Robert G; Lin, Mingxiang; Smith, Michelle; Walker, Scott S; Cook, John; Van Heek, Margaret; Lachowicz, Jean

    2013-02-15

    The structure-activity relationship studies of a novel series of carboxylic acid derivatives of pyridine-carboxamides as DGAT-1 inhibitors is described. The optimization of the initial lead compound 6 based on in vitro and in vivo activity led to the discovery of key compounds 10j and 17h. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Optimization and Optimal Control in Automotive Systems

    NARCIS (Netherlands)

    Waschl, H.; Kolmanovsky, I.V.; Steinbuch, M.; Re, del L.

    2014-01-01

    This book demonstrates the use of the optimization techniques that are becoming essential to meet the increasing stringency and variety of requirements for automotive systems. It shows the reader how to move away from earlier approaches, based on some degree of heuristics, to the use of more and

  7. The formation of lithium diarylargentates from arylsilver compounds and the corresponding aryllithium compounds

    NARCIS (Netherlands)

    Blenkers, J.; Hofstee, H.K.; Boersma, J.; Kerk, G.J.M. van der

    1979-01-01

    Diarylsilverlithium compounds of the type Ar2AgLi are formed by treating arylsilver compounds with the corresponding aryllithium compounds. Cryoscopy in benzene shows that the Ar2AgLi compounds are associated into dimers. NMR spectroscopic data indicate that only one type of aryl group is present in

  8. Impact of different drying trajectories on degradation of nutritional compounds in broccoli (Brassica oleracea var. italica)

    NARCIS (Netherlands)

    Jin, X.; Oliviero, T.; Sman, van der R.G.M.; Verkerk, R.; Dekker, M.; Boxtel, van A.J.B.

    2014-01-01

    This work concerns the degradation of the nutritional compounds glucoraphanin (GR) and vitamin C (Vc), and the inactivation of the enzyme myrosinase (MYR) in broccoli (Brassica oleracea var. italica) during drying with air temperatures in the range of 30e60 C. Dynamic optimization is applied to find

  9. Diffusion mechanisms in intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Larikov, L N [ANU, Inst. Metallofiziki, Kiev (Ukraine)

    1992-08-01

    Recent research aimed at the identification of the principal mechanisms of diffusion in intermetallics is reviewed. In particular, attention is given to the effect of the type of interatomic bond on the contribution of different mechanisms to diffusion in ordered metallic compounds. Results of an analysis of experimental determinations of diffusion coefficients D(A) and D(B) in binary intermetallics (CuZn, Cu3Sn, AuCd, AgZn, AgMg, InSb, GaSb, AlSb, Fe3Al, FeAl, FeAl3, Ni3Al, Ni3Nb, FeSn, FeSn2, Ni3Sn2, Ni3Sn4, Co3Sn2, CoSn, CoSn2, and CoGa) are presented, and it is shown that the D(A)/D(B) ratio differs substantially for different diffusion mechanisms. 60 refs.

  10. Antimicrobial compounds from Alpinia conchigera.

    Science.gov (United States)

    Aziz, Ahmad Nazif; Ibrahim, Halijah; Rosmy Syamsir, Devi; Mohtar, Mastura; Vejayan, Jaya; Awang, Khalijah

    2013-02-13

    The rhizome of Alpinia conchigerahas been used as a condiment in the northern states of Peninsular Malaysia and occasionally in folk medicine in the east coast to treat fungal infections. In some states of Peninsular Malaysia, the rhizomes are consumed as a post-partum medicine and the young shoots are prepared into a vegetable dish. This study aimed to investigate the chemical constituents of the pseudostems and rhizomes of Malaysian Alpinia conchigera and to evaluate the antimicrobial activity of the dichloromethane (DCM) extracts of the pseudostems, rhizomes and the isolated compounds against three selected fungi and five strains of Staphylococcus aureus. The dried and ground pseudostems (0.8kg) and rhizomes (1.0kg) were successively extracted in Soxhlet extractor using n-hexane, dichloromethane (DCM) and methanol. The n-hexane and DCM extracts of the pseudostem and rhizome were subjected to isolation and purification using column chromatography on silica gel using a stepwise gradient system (n-hexane to methanol). Briefly, a serial two fold dilutions of the test materials dissolved in DMSO were prepared prior to addition of 100μl overnight microbial suspension (108 cfu/ml) followed by incubation at 37°C (bacteria) or 26°C (dermatophytes and candida) for 24h. The highest concentration of DMSO remaining after dilution (5%, v/v) caused no inhibition to bacterial/candida/dermatophytes' growth. Antibiotic cycloheximide was used as reference for anticandidal and antidermatophyte comparison while oxacilin was used as reference for antibacterial testing. DMSO served as negative control. Turbidity was taken as indication of growth, thus the lowest concentration which remains clear after macroscopic evaluation was taken as the minimum inhibitory concentration (MIC). The isolation of n-hexane and DCM extracts of the rhizomes and pseudostems of Alpinia conchigera via column chromatography yielded two triterpenes isolated as a mixture of stigmasterol and

  11. Compound induction electric rotating machine

    Energy Technology Data Exchange (ETDEWEB)

    Decesare, D

    1987-07-28

    The present invention generally relates to dynamo-electric machines cabable of operating in a generator mode or in a motor mode and more specifically, to increased efficiency compound interaction AC and/or DC dynamo-electric machines. This patent describes such a machine having a distributed armature winding in a cylindrical rotor wound to form axial and substantially radial winding portions and including permanent and/or electromagnets to couple magnetic flux into the peripheral or circumferential surface of the rotor, and to provide interaction between a magnetic field formed beyond the rotor axial surfaces and the rotor to thereby enhance the total induction of flux into the rotor for improved, more efficient operation. 28 figs.,

  12. METHOD OF RECOVERING URANIUM COMPOUNDS

    Science.gov (United States)

    Poirier, R.H.

    1957-10-29

    S>The recovery of uranium compounds which have been adsorbed on anion exchange resins is discussed. The uranium and thorium-containing residues from monazite processed by alkali hydroxide are separated from solution, and leached with an alkali metal carbonate solution, whereby the uranium and thorium hydrorides are dissolved. The carbonate solution is then passed over an anion exchange resin causing the uranium to be adsorbed while the thorium remains in solution. The uranium may be recovered by contacting the uranium-holding resin with an aqueous ammonium carbonate solution whereby the uranium values are eluted from the resin and then heating the eluate whereby carbon dioxide and ammonia are given off, the pH value of the solution is lowered, and the uranium is precipitated.

  13. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-05-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  14. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-01-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  15. The toxicology of uranium compounds

    International Nuclear Information System (INIS)

    Brickner, D.

    1988-11-01

    This review of literature presents and criticises the current knowledge relevant to risk assessment in cases of human exposure to natural uranium compounds due to industrial accidents. The major risk of high uranium exposure is renal-tubular damage which may lead to acute renal insufficiency and death. Radiation damage is not expected in these circumstances. In this review the metabolism of uranium in the body, the health effects and the possible medical treatment are discussed, with an emphasis on relatively large exposure of short duration. The current ICRP lung model does not represent all the factors affecting the kinetics of uranium oxides in the respiratory tract. The significance of these factors, not represented by the model, for risk assessment in such exposures, is not known. The current recommendations for treatment are not scientifically based. Further investigations are urgently needed to enable a rational medical preparadness

  16. Compound process fuel cycle concept

    International Nuclear Information System (INIS)

    Ikegami, Tetsuo

    2005-01-01

    Mass flow of light water reactor spent fuel for a newly proposed nuclear fuel cycle concept 'Compound Process Fuel Cycle' has been studied in order to assess the capacity of the concept for accepting light water reactor spent fuels, taking an example for boiling water reactor mixed oxide spent fuel of 60 GWd/t burn-up and for a fast reactor core of 3 GW thermal output. The acceptable heavy metal of boiling water reactor mixed oxide spent fuel is about 3.7 t/y/reactor while the burn-up of the recycled fuel is about 160 GWd/t and about 1.6 t/y reactor with the recycled fuel burn-up of about 300 GWd/t, in the case of 2 times recycle and 4 times recycle respectively. The compound process fuel cycle concept has such flexibility that it can accept so much light water reactor spent fuels as to suppress the light water reactor spent fuel pile-up if not so high fuel burn-up is expected, and can aim at high fuel burn-up if the light water reactor spent fuel pile-up is not so much. Following distinctive features of the concept have also been revealed. A sort of ideal utilization of boiling water reactor mixed oxide spent fuel might be achieved through this concept, since both plutonium and minor actinide reach equilibrium state beyond 2 times recycle. Changes of the reactivity coefficients during recycles are mild, giving roughly same level of reactivity coefficients as the conventional large scale fast breeder core. Both the radio-activity and the heat generation after 4 year cooling and after 4 times recycle are less than 2.5 times of those of the pre recycle fuel. (author)

  17. Food processing strategies to enhance phenolic compounds bioaccessibility and bioavailability in plant-based foods.

    Science.gov (United States)

    Ribas-Agustí, Albert; Martín-Belloso, Olga; Soliva-Fortuny, Robert; Elez-Martínez, Pedro

    2017-06-13

    Phenolic compounds are important constituents of plant-based foods, as their presence is related to protective effects on health. To exert their biological activity, phenolic compounds must be released from the matrix during digestion in an absorbable form (bioaccessible) and finally absorbed and transferred to the bloodstream (bioavailable). Chemical structure and matrix interactions are some food-related factors that hamper phenolic compounds bioaccessibility and bioavailability, and that can be counteracted by food processing. It has been shown that food processing can induce chemical or physical modifications in food that enhance phenolic compounds bioaccessibility and bioavailability. These changes include: (i) chemical modifications into more bioaccessible and bioavailable forms; (ii) cleavage of covalent or hydrogen bonds or hydrophobic forces that attach phenolic compounds to matrix macromolecules; (iii) damaging microstructural barriers such as cell walls that impede the release from the matrix; and (iv) create microstructures that protect phenolic compounds until they are absorbed. Indeed, food processing can produce degradation of phenolic compounds, however, it is possible to counteract it by modulating the operating conditions in favor of increased bioaccessibility and bioavailability. This review compiles the current knowledge on the effects of processing on phenolic compounds bioaccessibility or bioavailability, while suggesting new guidelines in the search of optimal processing conditions as a step forward towards the design of healthier foods.

  18. Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database

    Directory of Open Access Journals (Sweden)

    Wang J

    2016-12-01

    Full Text Available Jing Wang,1,* Chunxia Qiao,1,* He Xiao,1 Zhou Lin,1 Yan Li,1 Jiyan Zhang,1 Beifen Shen,1 Tinghuan Fu,2 Jiannan Feng1 1Department of Molecular Immunology, Beijing Institute of Basic Medical Sciences, 2First Affiliated Hospital of PLA General Hospital, Beijing, People’s Republic of China *These authors contributed equally to this work Abstract: According to the three-dimensional (3D complex structure of (hIL-6·hIL-6R·gp 1302 and the binding orientation of hIL-6, three compounds with high affinity to hIL-6R and bioactivity to block hIL-6 in vitro were screened theoretically from the chemical databases, including 3D-Available Chemicals Directory (ACD and MDL Drug Data Report (MDDR, by means of the computer-guided virtual screening method. Using distance geometry, molecular modeling and molecular dynamics trajectory analysis methods, the binding mode and binding energy of the three compounds were evaluated theoretically. Enzyme-linked immunosorbent assay analysis demonstrated that all the three compounds could block IL-6 binding to IL-6R specifically. However, only compound 1 could effectively antagonize the function of hIL-6 and inhibit the proliferation of XG-7 cells in a dose-dependent manner, whereas it showed no cytotoxicity to SP2/0 or L929 cells. These data demonstrated that the compound 1 could be a promising candidate of hIL-6 antagonist. Keywords: virtual screening, structural optimization, human interlukin-6, small molecular antagonist, XG-7 cells, apoptosis

  19. Numerical Optimization in Microfluidics

    DEFF Research Database (Denmark)

    Jensen, Kristian Ejlebjærg

    2017-01-01

    Numerical modelling can illuminate the working mechanism and limitations of microfluidic devices. Such insights are useful in their own right, but one can take advantage of numerical modelling in a systematic way using numerical optimization. In this chapter we will discuss when and how numerical...... optimization is best used....

  20. Optimization of surface maintenance

    International Nuclear Information System (INIS)

    Oeverland, E.

    1990-01-01

    The present conference paper deals with methods of optimizing the surface maintenance of steel-made offshore installations. The paper aims at identifying important approaches to the problems regarding the long-range planning of an economical and cost effective maintenance program. The methods of optimization are based on the obtained experiences from the maintenance of installations on the Norwegian continental shelf. 3 figs

  1. Implementing optimal thinning strategies

    Science.gov (United States)

    Kurt H. Riitters; J. Douglas Brodie

    1984-01-01

    Optimal thinning regimes for achieving several management objectives were derived from two stand-growth simulators by dynamic programming. Residual mean tree volumes were then plotted against stand density management diagrams. The results supported the use of density management diagrams for comparing, checking, and implementing the results of optimization analyses....

  2. Economically optimal thermal insulation

    Energy Technology Data Exchange (ETDEWEB)

    Berber, J.

    1978-10-01

    Exemplary calculations to show that exact adherence to the demands of the thermal insulation ordinance does not lead to an optimal solution with regard to economics. This is independent of the mode of financing. Optimal thermal insulation exceeds the values given in the thermal insulation ordinance.

  3. Optimizing Plutonium stock management

    International Nuclear Information System (INIS)

    Niquil, Y.; Guillot, J.

    1997-01-01

    Plutonium from spent fuel reprocessing is reused in new MOX assemblies. Since plutonium isotopic composition deteriorates with time, it is necessary to optimize plutonium stock management over a long period, to guarantee safe procurement, and contribute to a nuclear fuel cycle policy at the lowest cost. This optimization is provided by the prototype software POMAR

  4. Optimal Aging and Death

    DEFF Research Database (Denmark)

    Dalgaard, Carl-Johan Lars; Strulik, Holger

    2010-01-01

    This study introduces physiological aging into a simple model of optimal intertemporal consumption. In this endeavor we draw on the natural science literature on aging. According to the purposed theory, the speed of the aging process and the time of death are endogenously determined by optimal...

  5. Asymptotically Optimal Agents

    OpenAIRE

    Lattimore, Tor; Hutter, Marcus

    2011-01-01

    Artificial general intelligence aims to create agents capable of learning to solve arbitrary interesting problems. We define two versions of asymptotic optimality and prove that no agent can satisfy the strong version while in some cases, depending on discounting, there does exist a non-computable weak asymptotically optimal agent.

  6. Natural selection and optimality

    International Nuclear Information System (INIS)

    Torres, J.L.

    1989-01-01

    It is assumed that Darwin's principle translates into optimal regimes of operation along metabolical pathways in an ecological system. Fitness is then defined in terms of the distance of a given individual's thermodynamic parameters from their optimal values. The method is illustrated testing maximum power as a criterion of merit satisfied in ATP synthesis. (author). 26 refs, 2 figs

  7. Optimization in power systems

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Geraldo R.M. da [Sao Paulo Univ., Sao Carlos, SP (Brazil). Escola de Engenharia

    1994-12-31

    This paper discusses, partially, the advantages and the disadvantages of the optimal power flow. It shows some of the difficulties of implementation and proposes solutions. An analysis is made comparing the power flow, BIGPOWER/CESP, and the optimal power flow, FPO/SEL, developed by the author, when applied to the CEPEL-ELETRONORTE and CESP systems. (author) 8 refs., 5 tabs.

  8. Symbiotic Optimization of Behavior

    Science.gov (United States)

    2015-05-01

    SYMBIOTIC OPTIMIZATION OF BEHAVIOR UNIVERSITY OF WASHINGTON MAY 2015 FINAL TECHNICAL REPORT APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED...2014 4. TITLE AND SUBTITLE SYMBIOTIC OPTIMIZATION OF BEHAVIOR 5a. CONTRACT NUMBER FA8750-12-1-0304 5b. GRANT NUMBER N/A 5c. PROGRAM ELEMENT

  9. Perceptually optimal color reproduction

    NARCIS (Netherlands)

    Yendrikhovskij, S.N.; Blommaert, F.J.J.; Ridder, de H.; Rogowitz, B.E.; Pappas, T.N.

    1998-01-01

    What requirements do people place on optimal color reproduction of real-life scenes? We suggest that when people look at images containing familiar categories of objects, two primary factors shape their subjective impression of how optimal colors are reproduced: perceived naturalness and perceived

  10. Optimization of genetic transformation with Agrobacterium rhizogenes

    International Nuclear Information System (INIS)

    Blanco, M.; Valverde, R.; Gomez, L.

    2002-01-01

    To optimize the genetic transformation efficiency using Agrobacterium rhizogenes, carrot sections inoculated with the Agrobacterium strain A4TC were co-cultivated with acetosyringone, phloroglucinol, and a mix of both. Acetosyringone is one of the phenolic compounds produced by plant tissues in response to wounding, which induces the transfer of T-DNA from the agrobacteria to the plant. Phloroglucinol is also a phenolic compound; however, it has a synergistic action with auxins by partially inhibiting cytokinin activity. The highest transformation efficiency (75%) was obtained with acetosyringone (100 mM) in combination with phloroglucinol (25 mg l - 1 ). In general, a 6-day co-cultivation, independently of treatments, induced the best transformation rate. Inclusion of 100 mg l - 1 kanamycin efficiently discriminated transformed roots from non-transgenic ones. This paper also presents a novel bacterial elimination method, by which Agrobacterium can be completely eliminated in 48 h with Cefotaxime at a dosage of 500 mg l - 1 . Author [es

  11. Analysis and Identification of Aptamer-Compound Interactions with a Maximum Relevance Minimum Redundancy and Nearest Neighbor Algorithm.

    Science.gov (United States)

    Wang, ShaoPeng; Zhang, Yu-Hang; Lu, Jing; Cui, Weiren; Hu, Jerry; Cai, Yu-Dong

    2016-01-01

    The development of biochemistry and molecular biology has revealed an increasingly important role of compounds in several biological processes. Like the aptamer-protein interaction, aptamer-compound interaction attracts increasing attention. However, it is time-consuming to select proper aptamers against compounds using traditional methods, such as exponential enrichment. Thus, there is an urgent need to design effective computational methods for searching effective aptamers against compounds. This study attempted to extract important features for aptamer-compound interactions using feature selection methods, such as Maximum Relevance Minimum Redundancy, as well as incremental feature selection. Each aptamer-compound pair was represented by properties derived from the aptamer and compound, including frequencies of single nucleotides and dinucleotides for the aptamer, as well as the constitutional, electrostatic, quantum-chemical, and space conformational descriptors of the compounds. As a result, some important features were obtained. To confirm the importance of the obtained features, we further discussed the associations between them and aptamer-compound interactions. Simultaneously, an optimal prediction model based on the nearest neighbor algorithm was built to identify aptamer-compound interactions, which has the potential to be a useful tool for the identification of novel aptamer-compound interactions. The program is available upon the request.

  12. Bolt Thread Stress Optimization

    DEFF Research Database (Denmark)

    Pedersen, Niels Leergaard

    2012-01-01

    of threads and therefore indirectly the bolt fatigue life. The root shape is circular, and from shape optimization for minimum stress concentration it is well known that the circular shape is seldom optimal. An axisymmetric Finite Element (FE) formulation is used to analyze the bolted connection, and a study...... is performed to establish the need for contact modeling with regard to finding the correct stress concentration factor. Optimization is performed with a simple parameterization with two design variables. Stress reduction of up to 9% is found in the optimization process, and some similarities are found...... in the optimized designs leading to the proposal of a new standard. The reductions in the stress are achieved by rather simple changes made to the cutting tool....

  13. Overall bolt stress optimization

    DEFF Research Database (Denmark)

    Pedersen, Niels Leergaard

    2013-01-01

    The state of stress in bolts and nuts with International Organization for Standardization metric thread design is examined and optimized. The assumed failure mode is fatigue, so the applied preload and the load amplitude together with the stress concentrations define the connection strength....... Maximum stress in the bolt is found at the fillet under the head, at the thread start, or at the thread root. To minimize the stress concentration, shape optimization is applied. Nut shape optimization also has a positive effect on the maximum stress. The optimization results show that designing a nut......, which results in a more evenly distribution of load along the engaged thread, has a limited influence on the maximum stress due to the stress concentration at the first thread root. To further reduce the maximum stress, the transition from bolt shank to the thread must be optimized. Stress reduction...

  14. Workshop on Computational Optimization

    CERN Document Server

    2016-01-01

    This volume is a comprehensive collection of extended contributions from the Workshop on Computational Optimization 2014, held at Warsaw, Poland, September 7-10, 2014. The book presents recent advances in computational optimization. The volume includes important real problems like parameter settings for controlling processes in bioreactor and other processes, resource constrained project scheduling, infection distribution, molecule distance geometry, quantum computing, real-time management and optimal control, bin packing, medical image processing, localization the abrupt atmospheric contamination source and so on. It shows how to develop algorithms for them based on new metaheuristic methods like evolutionary computation, ant colony optimization, constrain programming and others. This research demonstrates how some real-world problems arising in engineering, economics, medicine and other domains can be formulated as optimization tasks.

  15. Flight plan optimization

    Science.gov (United States)

    Dharmaseelan, Anoop; Adistambha, Keyne D.

    2015-05-01

    Fuel cost accounts for 40 percent of the operating cost of an airline. Fuel cost can be minimized by planning a flight on optimized routes. The routes can be optimized by searching best connections based on the cost function defined by the airline. The most common algorithm that used to optimize route search is Dijkstra's. Dijkstra's algorithm produces a static result and the time taken for the search is relatively long. This paper experiments a new algorithm to optimize route search which combines the principle of simulated annealing and genetic algorithm. The experimental results of route search, presented are shown to be computationally fast and accurate compared with timings from generic algorithm. The new algorithm is optimal for random routing feature that is highly sought by many regional operators.

  16. System performance optimization

    International Nuclear Information System (INIS)

    Bednarz, R.J.

    1978-01-01

    The System Performance Optimization has become an important and difficult field for large scientific computer centres. Important because the centres must satisfy increasing user demands at the lowest possible cost. Difficult because the System Performance Optimization requires a deep understanding of hardware, software and workload. The optimization is a dynamic process depending on the changes in hardware configuration, current level of the operating system and user generated workload. With the increasing complication of the computer system and software, the field for the optimization manoeuvres broadens. The hardware of two manufacturers IBM and CDC is discussed. Four IBM and two CDC operating systems are described. The description concentrates on the organization of the operating systems, the job scheduling and I/O handling. The performance definitions, workload specification and tools for the system stimulation are given. The measurement tools for the System Performance Optimization are described. The results of the measurement and various methods used for the operating system tuning are discussed. (Auth.)

  17. Optimized manufacturable porous materials

    DEFF Research Database (Denmark)

    Andreassen, Erik; Andreasen, Casper Schousboe; Jensen, Jakob Søndergaard

    Topology optimization has been used to design two-dimensional material structures with specific elastic properties, but optimized designs of three-dimensional material structures are more scarsely seen. Partly because it requires more computational power, and partly because it is a major challenge...... to include manufacturing constraints in the optimization. This work focuses on incorporating the manufacturability into the optimization procedure, allowing the resulting material structure to be manufactured directly using rapid manufacturing techniques, such as selective laser melting/sintering (SLM....../S). The available manufacturing methods are best suited for porous materials (one constituent and void), but the optimization procedure can easily include more constituents. The elasticity tensor is found from one unit cell using the homogenization method together with a standard finite element (FE) discretization...

  18. Modern optimization with R

    CERN Document Server

    Cortez, Paulo

    2014-01-01

    The goal of this book is to gather in a single document the most relevant concepts related to modern optimization methods, showing how such concepts and methods can be addressed using the open source, multi-platform R tool. Modern optimization methods, also known as metaheuristics, are particularly useful for solving complex problems for which no specialized optimization algorithm has been developed. These methods often yield high quality solutions with a more reasonable use of computational resources (e.g. memory and processing effort). Examples of popular modern methods discussed in this book are: simulated annealing; tabu search; genetic algorithms; differential evolution; and particle swarm optimization. This book is suitable for undergraduate and graduate students in Computer Science, Information Technology, and related areas, as well as data analysts interested in exploring modern optimization methods using R.

  19. Production of rare ginsenosides (compound Mc, compound Y and aglycon protopanaxadiol) by β-glucosidase from Dictyoglomus turgidum that hydrolyzes β-linked, but not α-linked, sugars in ginsenosides.

    Science.gov (United States)

    Lee, Gi-Woong; Kim, Kyoung-Rok; Oh, Deok-Kun

    2012-09-01

    Optimal hydrolytic activity of β-glucosidase from Dictyoglomus turgidum for the ginsenoside Rd was at pH 5.5 and 80 °C, with a half-life of ~11 h. The enzyme hydrolysed β-linked, but not α-linked, sugar moieties of ginsenosides. It produced the rare ginsenosides, aglycon protopanaxadiol (APPD), compounds Y, and Mc, via three unique transformation pathways: Rb(1) → Rd → F(2) → compound K → APPD, Rb(2) → compound Y, and Rc → compound Mc. The enzyme converted 0.5 mM Rb(2) and 0.5 mM Rc to 0.5 mM compound Y and 0.5 mM compound Mc after 3 h, respectively, with molar conversion yields of 100 %.

  20. Comparative evaluation of maceration and ultrasonic-assisted extraction of phenolic compounds from fresh olives.

    Science.gov (United States)

    Deng, Junlin; Xu, Zhou; Xiang, Chunrong; Liu, Jing; Zhou, Lijun; Li, Tian; Yang, Zeshen; Ding, Chunbang

    2017-07-01

    Ultrasonic-assisted extraction (UAE) and maceration extraction (ME) were optimized using response surface methodology (RSM) for total phenolic compounds (TPC) from fresh olives. The main phenolic compounds and antioxidant activity of TPC were also investigated. The optimized result for UAE was 22mL/g of liquid-solid ratio, 47°C of extraction temperature and 30min of extraction time, 7.01mg/g of yielding, and for ME was 24mL/g of liquid-solid ratio, 50°C of extraction temperature and 4.7h of extraction time, 5.18mg/g of yielding. The HPLC analysis revealed that the extracts by UAE and ME possessed 14 main phenolic compounds, and UAE exhibited more amounts of all phenols than ME. The most abundant phenolic compounds in olive extracts were hydroxytyrosol, oleuropein and rutin. Both extracts showed excellent antioxidant activity in a dose-dependent manner. Taken together, UAE could effectively increase the yield of phenolic compounds from olives. In addition these phenolic compounds could be used as a potential source of natural antioxidants. Copyright © 2017 Elsevier B.V. All rights reserved.