WorldWideScience

Sample records for characterization chemical optimization

  1. Isolation, culture optimization and physico-chemical characterization of laccase enzyme from Pleurotus fossulatus.

    Science.gov (United States)

    Chowdhury, P; Hari, R; Chakraborty, B; Mandal, B; Naskar, S; Das, Nirmalendu

    2014-01-15

    Pleurotus fossulatus (Cooke) Sace is member of oyster mushroom can produced extracellular laccase (benzenediol: oxygen oxidoreductase; EC 1.10.3.2) in submerged fermentation. To analyze the optimum production for laccase P. fossulatus was cultured both in stationary and shaking condition in different media. Partial purification of laccase was done after 0-80% ammonium sulphate precipitation, followed by DEAE (Diethylaminoethyl) Sephadex (A-50) anion exchange chromatography. Potato-sucrose peptone (PSP) medium and Potato-dextrose (PD) medium showed highest laccase production in shaking and stationary conditions, respectively. Though the time required for optimum laccase production in stationary condition was much more than the shaking condition but the amount of laccase was about 2.75t greater in former condition. The laccase produced in stationary condition was more stable than the enzyme produced in shaking condition. The partially purified enzyme showed highest affinity towards o-dianisidine than guaiacol and ABTS (2,2'-Azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) as evidenced by their K(m). The physico-chemical properties of the laccase suggested the significance of this enzyme in industrial applications.

  2. Optimization of chemical sulfation, structural characterization and anticoagulant activity of Agaricus bisporus fucogalactan.

    Science.gov (United States)

    Román, Yony; Iacomini, Marcello; Sassaki, Guilherme L; Cipriani, Thales R

    2016-08-01

    A fucogalactan (E) was isolated from aqueous extract of Agaricus bisporus. The monosaccharide composition, methylation, and NMR analyses showed it is constituted by a (1→6)-linked α-d-Galp main-chain, partially methylated at O-3, and partially substituted at O-2 by non-reducing end-units of α-l-Fucp or α-d-Galp. HPSEC analysis showed it had Mw of 1.28×10(4)gmol(-1). The polysaccharide was sulfated modifying reaction time, molar ratio of sulfation agent to hydroxyl group on the polysaccharide (ηClSO3H/OH ratio), and ratio of total reaction volume to weight of sample (VT/w ratio; μLmg(-1)). The degree of substitution (DS) was evaluated for all sulfated derivatives. The sulfated fucogalactan with the highest DS value (2.83) had the best anticoagulant activity on Activated Partial Thromboplastin Time (APTT) and Protrombin Time (PT) assays. This sulfated fucogalactan, named E100, was obtained with the optimal conditions of ηClSO3H/OH ratio of 18, VT/w ratio of 100, in 6h of reaction. The results showed that E100 produces a linear increment of APTT for concentrations of 15-45μgmL(-1), whereas PT was almost constant between 20 and 400μgmL(-1), suggesting an anticoagulant activity via inhibition of the intrinsic pathway of blood coagulation. NMR and methylation analyses showed that α-d-Galp units of the main chain were greatly sulfated on 2-O-, 3-O-, and 4-O-positions.

  3. Optimal control for chemical engineers

    CERN Document Server

    Upreti, Simant Ranjan

    2013-01-01

    Optimal Control for Chemical Engineers gives a detailed treatment of optimal control theory that enables readers to formulate and solve optimal control problems. With a strong emphasis on problem solving, the book provides all the necessary mathematical analyses and derivations of important results, including multiplier theorems and Pontryagin's principle.The text begins by introducing various examples of optimal control, such as batch distillation and chemotherapy, and the basic concepts of optimal control, including functionals and differentials. It then analyzes the notion of optimality, de

  4. Deposition and characterization of CuInSe{sub 2} films for solar cells using an optimized chemical route

    Energy Technology Data Exchange (ETDEWEB)

    Berruet, M. [Division Corrosion, INTEMA, CONICET, Facultad de Ingenieria, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina); Schreiner, W.H. [Laboratorio de Superficies e Interfases, Departamento de Fisica, Universidade Federal do Parana, 81531-990 Curitiba, PR (Brazil); Cere, S. [Division Corrosion, INTEMA, CONICET, Facultad de Ingenieria, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina); Vazquez, M., E-mail: mvazquez@fi.mdp.edu.ar [Division Corrosion, INTEMA, CONICET, Facultad de Ingenieria, Universidad Nacional de Mar del Plata, Juan B. Justo 4302, B7608FDQ Mar del Plata (Argentina)

    2011-02-10

    Research highlights: > CuInSe{sub 2} has been deposited on glass by optimizing some parameters in the SILAR method. > Renewing the precursors after 40 cycles improves the composition of the deposit. > Photoelectrochemical tests and Mott-Schottky analysis confirm p-type conduction. > The quality of the material shows potential for application in solar cell devices. - Abstract: CuInSe{sub 2} (CISe) thin films have been deposited on glass using successive ionic layer adsorption and reaction (SILAR). The as-deposited films are treated at 400 deg. C in argon atmosphere and etched in KCN solution to remove detrimental secondary phases. The preparation and temperature of the precursor solutions, the duration of the reaction cycles and the duration of the annealing stage have been optimized. The films have been characterized employing grazing incident X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and energy dispersive scanning spectroscopy. Relevant semiconductor parameters have been calculated. Photoelectrochemical tests confirm p-type conduction. The films are crystalline and the stoichiometry can be improved by renewing the precursor solution after completing half of the cycles, annealing for 90 min and later etching in KCN. The quality of the material seems to be promising for application in solar cell devices.

  5. Development of chemical and biological processes for production of bioethanol. Optimization of the wet oxidation process and characterization of products

    Energy Technology Data Exchange (ETDEWEB)

    Bjerre, A.B.; Skammelsen Schmidt, A.

    1997-02-01

    The combination of the wet oxidation pretreatment process and alkaline hydrolysis was investigated in order to efficiently solubilize the hemicellulose, degrade the lignin, and open the solid crystalline cellulose structure of wheat straw lignocellulose without generating fermentation inhibitors. The effects of temperature, oxygen pressure, reaction time, and concentration of straw were evaluated. The degree of lignin degradation and hemicellulose solubilization increased with the reaction temperature and time. The optimum conditions were 15 minutes at 185 deg. C, producing 9.8 g/L hemicellulose. For quantification of the solubilized hemicellulose the best overall acid hydrolysis was obtained by treatment with 4 %w/v sulfuric acid for 10 minutes. The Aminex HPX-87H column was less sensitive towards impurities than the Aminex HPX-87P column. HPX-87H gave improved recovery and reproducibility, and was chosen for routine quantification of hydrolyzed hemicellulose sugars. The purity of the solid cellulose fraction also improved with higher temperature. The optimum condition for obtaining enzymatic convertible cellulose (90%) was 10 minutes at 170 deg. C using a high carbonate concentration. The hemicellulose yield and recovery were significantly reduced under these conditions indicating that a simultaneous optimal utilization of the hemicellulose and cellulose was difficult. The oxygen pressure and sodium carbonate concentration had little effect on the solubilization of hemicellulose, however, by combining wet oxidation with alkaline hydrolysis the formation of 2-furfural, a known microbial inhibitor, was minimal. Much more hemicellulose and lignin were solubilized from the straw by wet oxidation than by steaming(an alternative process). More cellulose was solubilized (and degraded) by steaming than by wet oxidation. Overall carbohydrates `losses` of 20.1% for steaming and 16.2% for wet oxidation were found. More 2-furfural was formed by steaming than by wet oxidation.

  6. Ecological optimization of endoreversible chemical engines

    Directory of Open Access Journals (Sweden)

    Dan Xia, Lingen Chen, Fengrui Sun

    2011-09-01

    Full Text Available Optimal ecological performances of endoreversible chemical engine cycles with both linear and diffusive mass transfer laws are derived by taking an ecological optimization criterion as the objective, which consists of maximizing a function representing the best compromise between the power output and entropy production rate of the chemical engines. Numerical examples are given to show the effects of mass-reservoir chemical potential ratio and mass-transfer coefficient ratio on the ecological function versus the efficiency characteristic of the cycles. The results can provide some theoretical guidelines for the design of practical chemical engines.

  7. Chemical optimization algorithm for fuzzy controller design

    CERN Document Server

    Astudillo, Leslie; Castillo, Oscar

    2014-01-01

    In this book, a novel optimization method inspired by a paradigm from nature is introduced. The chemical reactions are used as a paradigm to propose an optimization method that simulates these natural processes. The proposed algorithm is described in detail and then a set of typical complex benchmark functions is used to evaluate the performance of the algorithm. Simulation results show that the proposed optimization algorithm can outperform other methods in a set of benchmark functions. This chemical reaction optimization paradigm is also applied to solve the tracking problem for the dynamic model of a unicycle mobile robot by integrating a kinematic and a torque controller based on fuzzy logic theory. Computer simulations are presented confirming that this optimization paradigm is able to outperform other optimization techniques applied to this particular robot application

  8. An Efficient Chemical Reaction Optimization Algorithm for Multiobjective Optimization.

    Science.gov (United States)

    Bechikh, Slim; Chaabani, Abir; Ben Said, Lamjed

    2015-10-01

    Recently, a new metaheuristic called chemical reaction optimization was proposed. This search algorithm, inspired by chemical reactions launched during collisions, inherits several features from other metaheuristics such as simulated annealing and particle swarm optimization. This fact has made it, nowadays, one of the most powerful search algorithms in solving mono-objective optimization problems. In this paper, we propose a multiobjective variant of chemical reaction optimization, called nondominated sorting chemical reaction optimization, in an attempt to exploit chemical reaction optimization features in tackling problems involving multiple conflicting criteria. Since our approach is based on nondominated sorting, one of the main contributions of this paper is the proposal of a new quasi-linear average time complexity quick nondominated sorting algorithm; thereby making our multiobjective algorithm efficient from a computational cost viewpoint. The experimental comparisons against several other multiobjective algorithms on a variety of benchmark problems involving various difficulties show the effectiveness and the efficiency of this multiobjective version in providing a well-converged and well-diversified approximation of the Pareto front.

  9. Chemical Data Assimilation &Optimized Earth Observation

    Science.gov (United States)

    Lary, D.

    2003-04-01

    Issues such as ozone depletion, acid rain, and photochemical smog are all of considerable environmental importance. These issues are studied using the dual approach of observations and numerical modelling. In making balanced assessments of these issues it is vital to make the best use of all the information available to us, both theoretical and observational. This is a non-trivial task. The technique of "data assimilation" is a powerful tool which allows us to address this issue. It is revolutionising the way we can study atmospheric chemistry. Data assimilation allows us to simultaneously make good use of however many observations are available to us, our theoretical understanding, and any apriori information we have, within a mathematical framework. It even allows us to infer information about chemical constituents which are not observed. It is a technique which is set to grow in importance. It is also applicable to any system for which we have both observations, a deterministic model, and estimates of uncertainty. Such applications could be from laboratory kinetics to metabolic pathways. Looking ahead we can envision Data assimilation as part of a Optimized Earth Observation System by developing a dynamic data retrieval control system. The dynamic data retrieval control system will dynamically adapt the what, where, and when for the observations made in an online fashion to maximize information content, minimize uncertainty in characterizing the system’s state vector, and minimize both the required storage and data processing time for a given observation capability (with the possibility of even directing unmanned sub-orbital platforms, drones, to make additional observations). This is particularly desirable to facilitate the dynamic tracking of evolving sharp gradients, for example, those in chemical tracer fields often located at the polar vortex edge, the tropopause and the day-night division. The basic idea is the desire for symbiotic communication to

  10. Optimization of a Chemical Reaction Train

    Directory of Open Access Journals (Sweden)

    Bahar Sansar

    2010-01-01

    Full Text Available This project consists of the optimization of a chemical reactor train. The reactor considered here is the continuous stirred tank reactor (CSTR, one of the reactor models used in engineering. Given the design equation for the CSTR and the cost function for a reactor, the following values are determined; the optimum number of reactors in the reaction train, the volume of each reactor and the total cost.

  11. A characterization of optimal entanglement witnesses

    CERN Document Server

    Qi, Xiaofei

    2011-01-01

    In this paper, we present a characterization of optimal entanglement witnesses in terms of positive maps and then provide a general method of checking optimality of entanglement witnesses. Applying it, we obtain new indecomposable optimal witnesses which have no spanning property. These also provide new examples which support a recent conjecture saying that the so-called structural physical approximations to optimal positive maps (optimal entanglement witnesses) give entanglement breaking maps (separable states).

  12. Chemical Reaction Optimization for Max Flow Problem

    Directory of Open Access Journals (Sweden)

    Reham Barham

    2016-08-01

    Full Text Available This study presents an algorithm for MaxFlow problem using "Chemical Reaction Optimization algorithm (CRO". CRO is a recently established meta-heuristics algorithm for optimization, inspired by the nature of chemical reactions. The main concern is to find the best maximum flow value at which the flow can be shipped from the source node to the sink node in a flow network without violating any capacity constraints in which the flow of each edge remains within the upper bound value of the capacity. The proposed MaxFlow-CRO algorithm is presented, analyzed asymptotically and experimental test is conducted. Asymptotic runtime is derived theoretically. The algorithm is implemented using JAVA programming language. Results show a good performance with a complexity of O(I E2, for I iterations and E edges. The number of iterations I in the algorithm, is an important factor that will affect the results obtained. As number of iterations is increased, best possible max-Flow value is obtained.

  13. A New Optimal Control System Design for Chemical Processes

    Institute of Scientific and Technical Information of China (English)

    丛二丁; 胡明慧; 涂善东; 邵惠鹤

    2013-01-01

    Based on frequency response and convex optimization, a novel optimal control system was developed for chemical processes. The feedforward control is designed to improve the tracking performance of closed loop chemical systems. The parametric model is not required because the system directly utilizes the frequency response of the loop transfer function, which can be measured accurately. In particular, the extremal values of magnitude and phase can be solved according to constrained quadratic programming optimizer and convex optimization. Simula-tion examples show the effectiveness of the method. The design method is simple and easily adopted in chemical industry.

  14. A Hybrid Mutation Chemical Reaction Optimization Algorithm for Global Numerical Optimization

    Directory of Open Access Journals (Sweden)

    Ransikarn Ngambusabongsopa

    2015-01-01

    Full Text Available This paper proposes a hybrid metaheuristic approach that improves global numerical optimization by increasing optimal quality and accelerating convergence. This algorithm involves a recently developed process for chemical reaction optimization and two adjustment operators (turning and mutation operators. Three types of mutation operators (uniform, nonuniform, and polynomial were combined with chemical reaction optimization and turning operator to find the most appropriate framework. The best solution among these three options was selected to be a hybrid mutation chemical reaction optimization algorithm for global numerical optimization. The optimal quality, convergence speed, and statistical hypothesis testing of our algorithm are superior to those previous high performance algorithms such as RCCRO, HP-CRO2, and OCRO.

  15. Characterizing Molecular Interactions in Chemical Systems.

    Science.gov (United States)

    Günther, David; Boto, Roberto A; Contreras-Garcia, Juila; Piquemal, Jean-Philip; Tierny, Julien

    2014-12-01

    Interactions between atoms have a major influence on the chemical properties of molecular systems. While covalent interactions impose the structural integrity of molecules, noncovalent interactions govern more subtle phenomena such as protein folding, bonding or self assembly. The understanding of these types of interactions is necessary for the interpretation of many biological processes and chemical design tasks. While traditionally the electron density is analyzed to interpret the quantum chemistry of a molecular system, noncovalent interactions are characterized by low electron densities and only slight variations of them--challenging their extraction and characterization. Recently, the signed electron density and the reduced gradient, two scalar fields derived from the electron density, have drawn much attention in quantum chemistry since they enable a qualitative visualization of these interactions even in complex molecular systems and experimental measurements. In this work, we present the first combinatorial algorithm for the automated extraction and characterization of covalent and noncovalent interactions in molecular systems. The proposed algorithm is based on a joint topological analysis of the signed electron density and the reduced gradient. Combining the connectivity information of the critical points of these two scalar fields enables to visualize, enumerate, classify and investigate molecular interactions in a robust manner. Experiments on a variety of molecular systems, from simple dimers to proteins or DNA, demonstrate the ability of our technique to robustly extract these interactions and to reveal their structural relations to the atoms and bonds forming the molecules. For simple systems, our analysis corroborates the observations made by the chemists while it provides new visual and quantitative insights on chemical interactions for larger molecular systems.

  16. 40 CFR 792.135 - Physical and chemical characterization studies.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 31 2010-07-01 2010-07-01 true Physical and chemical characterization... A Study § 792.135 Physical and chemical characterization studies. (a) All provisions of the GLPs shall apply to physical and chemical characterization studies designed to determine...

  17. Ultrasonic microspectroscopy characterization of chemically tempered glass

    Science.gov (United States)

    Arakawa, Mototaka; Kushibiki, Jun-ichi; Ohashi, Yuji

    2017-01-01

    We evaluated the elastic properties of the compressive stress (CS) layer of chemically tempered glass by ultrasonic microspectroscopy (UMS) in a very high frequency (VHF) range. Two commercial aluminosilicate glass specimens were prepared, and one of them was chemically tempered. Changes in elastic properties in the CS layer with the residual stress introduced by the exchange of Na+ ions for larger K+ ions were estimated by precisely measuring the densities and longitudinal and shear velocities for both the tempered and nontempered specimens. Using a single-layer model for the surface layer, we observed drastic increases in bulk-wave velocities and significant decreases in attenuation coefficients. We determined that the average elastic properties, namely, the elastic constants c 11 and c 44, and the density of the surface layer, were 9.6 and 7.1, and 1.2% larger than those of the nontempered specimen, respectively. We also estimated the distributions of the elastic properties according to the complementary error function (CEF) for the distribution of K+ ion concentration. Furthermore, using a line-focus-beam (LFB) system, we measured the frequency characteristics of the velocity (V LSAW) of leaky surface acoustic waves (LSAWs) on a water-loaded surface of the tempered specimen and clarified that the distributions of the elastic properties did not follow the CEF. The LFB system can be used for analyzing/determining details of the surface properties and is a promising tool for evaluating and characterizing chemically tempered glass and tempering process conditions.

  18. Using Chemicals to Optimize Conformance Control in Fractured Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Seright, Randall S.; Liang, Jenn-Tai; Schrader, Richard; Hagstrom II, John; Wang, Ying; Kumar, Ananad; Wavrik, Kathryn

    2001-10-29

    This report describes work performed during the third and final year of the project, Using Chemicals to Optimize Conformance Control in Fractured Reservoirs. This research project had three objectives. The first objective was to develop a capability to predict and optimize the ability of gels to reduce permeability to water more than that to oil or gas. The second objective was to develop procedures for optimizing blocking agent placement in wells where hydraulic fractures cause channeling problems. The third objective was to develop procedures to optimize blocking agent placement in naturally fractured reservoirs.

  19. Optimal patch code design via device characterization

    Science.gov (United States)

    Wu, Wencheng; Dalal, Edul N.

    2012-01-01

    In many color measurement applications, such as those for color calibration and profiling, "patch code" has been used successfully for job identification and automation to reduce operator errors. A patch code is similar to a barcode, but is intended primarily for use in measurement devices that cannot read barcodes due to limited spatial resolution, such as spectrophotometers. There is an inherent tradeoff between decoding robustness and the number of code levels available for encoding. Previous methods have attempted to address this tradeoff, but those solutions have been sub-optimal. In this paper, we propose a method to design optimal patch codes via device characterization. The tradeoff between decoding robustness and the number of available code levels is optimized in terms of printing and measurement efforts, and decoding robustness against noises from the printing and measurement devices. Effort is drastically reduced relative to previous methods because print-and-measure is minimized through modeling and the use of existing printer profiles. Decoding robustness is improved by distributing the code levels in CIE Lab space rather than in CMYK space.

  20. Chemically optimizing operational efficiency of molecular rotary motors.

    Science.gov (United States)

    Conyard, Jamie; Cnossen, Arjen; Browne, Wesley R; Feringa, Ben L; Meech, Stephen R

    2014-07-09

    Unidirectional molecular rotary motors that harness photoinduced cis-trans (E-Z) isomerization are promising tools for the conversion of light energy to mechanical motion in nanoscale molecular machines. Considerable progress has been made in optimizing the frequency of ground-state rotation, but less attention has been focused on excited-state processes. Here the excited-state dynamics of a molecular motor with electron donor and acceptor substituents located to modify the excited-state reaction coordinate, without altering its stereochemistry, are studied. The substituents are shown to modify the photochemical yield of the isomerization without altering the motor frequency. By combining 50 fs resolution time-resolved fluorescence with ultrafast transient absorption spectroscopy the underlying excited-state dynamics are characterized. The Franck-Condon excited state relaxes in a few hundred femtoseconds to populate a lower energy dark state by a pathway that utilizes a volume conserving structural change. This is assigned to pyramidalization at a carbon atom of the isomerizing bridging double bond. The structure and energy of the dark state thus reached are a function of the substituent, with electron-withdrawing groups yielding a lower energy longer lived dark state. The dark state is coupled to the Franck-Condon state and decays on a picosecond time scale via a coordinate that is sensitive to solvent friction, such as rotation about the bridging bond. Neither subpicosecond nor picosecond dynamics are sensitive to solvent polarity, suggesting that intramolecular charge transfer and solvation are not key driving forces for the rate of the reaction. Instead steric factors and medium friction determine the reaction pathway, with the sterically remote substitution primarily influencing the energetics. Thus, these data indicate a chemical method of optimizing the efficiency of operation of these molecular motors without modifying their overall rotational frequency.

  1. A Novel Real-time Optimization Methodology for Chemical Plants

    Institute of Scientific and Technical Information of China (English)

    黄静雯; 李宏光

    2012-01-01

    In this paper, a novel approach termed process goose queue (PGQ) is suggested to deal with real-time optimization (RTO) of chemical plants. Taking advantage of the ad-hoc structure of PGQ which imitates biologic nature of flying wild geese, a chemical plant optimization problem can be re-formulated as a combination of a multi-layer PGQ and a PGQ-Objective according to the relationship among process variables involved in the objective and constraints. Subsequently, chemical plant RTO solutions are converted into coordination issues among PGQs which could be dealt with in a novel way. Accordingly, theoretical definitions, adjustment rule and implementing procedures associated with the approach are explicitly introduced together with corresponding enabling algorithms. Finally, an exemplary chemical plant is employed to demonstrate the feasibility and validity of the contribution.

  2. Multispectral tissue characterization for intestinal anastomosis optimization

    Science.gov (United States)

    Cha, Jaepyeong; Shademan, Azad; Le, Hanh N. D.; Decker, Ryan; Kim, Peter C. W.; Kang, Jin U.; Krieger, Axel

    2015-10-01

    Intestinal anastomosis is a surgical procedure that restores bowel continuity after surgical resection to treat intestinal malignancy, inflammation, or obstruction. Despite the routine nature of intestinal anastomosis procedures, the rate of complications is high. Standard visual inspection cannot distinguish the tissue subsurface and small changes in spectral characteristics of the tissue, so existing tissue anastomosis techniques that rely on human vision to guide suturing could lead to problems such as bleeding and leakage from suturing sites. We present a proof-of-concept study using a portable multispectral imaging (MSI) platform for tissue characterization and preoperative surgical planning in intestinal anastomosis. The platform is composed of a fiber ring light-guided MSI system coupled with polarizers and image analysis software. The system is tested on ex vivo porcine intestine tissue, and we demonstrate the feasibility of identifying optimal regions for suture placement.

  3. 40 CFR 160.135 - Physical and chemical characterization studies.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Physical and chemical characterization... and chemical characterization studies. (a) All provisions of the GLP standards shall apply to physical... physical and chemical characteristics of a test, control, or reference substance: § 160.31 (c), (d), and...

  4. Monte Carlo optimization for site selection of new chemical plants.

    Science.gov (United States)

    Cai, Tianxing; Wang, Sujing; Xu, Qiang

    2015-11-01

    Geographic distribution of chemical manufacturing sites has significant impact on the business sustainability of industrial development and regional environmental sustainability as well. The common site selection rules have included the evaluation of the air quality impact of a newly constructed chemical manufacturing site to surrounding communities. In order to achieve this target, the simultaneous consideration should cover the regional background air-quality information, the emissions of new manufacturing site, and statistical pattern of local meteorological conditions. According to the above information, the risk assessment can be conducted for the potential air-quality impacts from candidate locations of a new chemical manufacturing site, and thus the optimization of the final site selection can be achieved by minimizing its air-quality impacts. This paper has provided a systematic methodology for the above purpose. There are total two stages of modeling and optimization work: i) Monte Carlo simulation for the purpose to identify background pollutant concentration based on currently existing emission sources and regional statistical meteorological conditions; and ii) multi-objective (simultaneous minimization of both peak pollutant concentration and standard deviation of pollutant concentration spatial distribution at air-quality concern regions) Monte Carlo optimization for optimal location selection of new chemical manufacturing sites according to their design data of potential emission. This study can be helpful to both determination of the potential air-quality impact for geographic distribution of multiple chemical plants with respect to regional statistical meteorological conditions, and the identification of an optimal site for each new chemical manufacturing site with the minimal environment impact to surrounding communities. The efficacy of the developed methodology has been demonstrated through the case studies.

  5. The role of chemical engineering in process development and optimization.

    Science.gov (United States)

    Dienemann, E; Osifchin, R

    2000-11-01

    This review focuses on the roles that chemical engineers can play in the development, scale-up and optimization of synthetic processes for the production of active pharmaceutical ingredients. This multidisciplinary endeavor involves close collaboration among chemists and chemical engineers, and, for successful products, involves bridging the R&D and manufacturing enterprises. Balancing these disparate elements in the face of ever-mounting competitive pressures to shorten development timelines and ever-tightening regulatory, safety and environmental constraints, has become a critical business objective for all pharmaceutical companies. The concept of focusing development resources on selected critical process features as a function of phase within the development cycle will be discussed. In addition, several examples of chemical engineering- focused process development and optimization will be presented.

  6. Solution of Chemical Dynamic Optimization Using the Simultaneous Strategies

    Institute of Scientific and Technical Information of China (English)

    LIU Xinggao; CHEN Long; HU Yunqing

    2013-01-01

    An approach of simultaneous strategies with two novel techniques is proposed to improve the solution accuracy of chemical dynamic optimization problems.The first technique is to handle constraints on control variables based on the finite-element collocation so as to control the approximation error for discrete optimal problems,where a set of control constraints at element knots are integrated with the procedure for optimization leading to a significant gain in the accuracy of the simultaneous strategies.The second technique is to make the mesh refinement more feasible and reliable by introducing length constraints and guideline in designing appropriate element length boundaries,so that the proposed approach becomes more efficient in adjusting elements to track optimal control profile breakpoints and ensure accurate state and control profiles.Four classic benchmarks of dynamic optimization problems are used as illustrations,and the proposed approach is compared with literature reports.The research results reveal that the proposed approach is preferable in improving the solution accuracy of chemical dynamic optimization problem.

  7. Using Chemicals to Optimize Conformance Control in Fractured Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Seright, Randall S.; Liang, Jenn-Tai; Schrader, Richard; Hagstrom II, John; Liu, Jin; Wavrik, Kathryn

    1999-09-27

    This report describes work performed during the first year of the project, ''Using Chemicals to Optimize Conformance Control in Fractured Reservoirs.'' This research project has three objectives. The first objective is to develop a capability to predict and optimize the ability of gels to reduce permeability to water more than that to oil or gas. The second objective is to develop procedures for optimizing blocking agent placement in wells where hydraulic fractures cause channeling problems. The third objective is to develop procedures to optimize blocking agent placement in naturally fractured reservoirs. This research project consists of three tasks, each of which addresses one of the above objectives. Our work is directed at both injection wells and production wells and at vertical, horizontal, and highly deviated wells.

  8. Quantum Yield Characterization and Excitation Scheme Optimization of Upconverting Nanoparticles

    DEFF Research Database (Denmark)

    Liu, Haichun; Xu, Can T.; Jensen, Ole Bjarlin;

    2014-01-01

    Upconverting nanoparticles suffer from low quantum yield in diffuse optical imaging, especially at low excitation intensities. Here, the power density dependent quantum yield is characterized, and the excitation scheme is optimized based on such characterization......Upconverting nanoparticles suffer from low quantum yield in diffuse optical imaging, especially at low excitation intensities. Here, the power density dependent quantum yield is characterized, and the excitation scheme is optimized based on such characterization...

  9. Chemical reaction optimization for solving shortest common supersequence problem.

    Science.gov (United States)

    Khaled Saifullah, C M; Rafiqul Islam, Md

    2016-10-01

    Shortest common supersequence (SCS) is a classical NP-hard problem, where a string to be constructed that is the supersequence of a given string set. The SCS problem has an enormous application of data compression, query optimization in the database and different bioinformatics activities. Due to NP-hardness, the exact algorithms fail to compute SCS for larger instances. Many heuristics and meta-heuristics approaches were proposed to solve this problem. In this paper, we propose a meta-heuristics approach based on chemical reaction optimization, CRO_SCS that is designed inspired by the nature of the chemical reactions. For different optimization problems like 0-1 knapsack, quadratic assignment, global numeric optimization problems CRO algorithm shows very good performance. We have redesigned the reaction operators and a new reform function to solve the SCS problem. The outcomes of the proposed CRO_SCS algorithm are compared with those of the enhanced beam search (IBS_SCS), deposition and reduction (DR), ant colony optimization (ACO) and artificial bee colony (ABC) algorithms. The length of supersequence, execution time and standard deviation of all related algorithms show that CRO_SCS gives better results on the average than all other algorithms.

  10. Optimal affine-invariant matching: performance characterization

    Science.gov (United States)

    Costa, Mauro S.; Haralick, Robert M.; Shapiro, Linda G.

    1992-04-01

    The geometric hashing scheme proposed by Lamdan and Wolfson can be very efficient in a model-based matching system, not only in terms of the computational complexity involved, but also in terms of the simplicity of the method. In a recent paper, we discussed errors that can occur with this method due to quantization, stability, symmetry, and noise problems. These errors make the original geometric hashing technique unsuitable for use on the factory floor. Beginning with an explicit noise model, which the original Lamdan and Wolfson technique lacks, we derived an optimal approach that overcomes these problems. We showed that the results obtained with the new algorithm are clearly better than the results from the original method. This paper addresses the performance characterization of the geometric hashing technique, more specifically the affine-invariant point matching, applied to the problem of recognizing and determining the pose of sheet metal parts. The experiments indicate that with a model having 10 to 14 points, with 2 points of the model undetected and 10 extraneous points detected, and with the model points perturbed by Gaussian noise of standard deviation 3 (0.58 of range), the average amount of computation required to obtain an answer is equivalent to trying 11 of the possible three-point bases. The misdetection rate, measured by the percentage of correct bases matches that fail to verify, is 0.9. The percentage of incorrect bases that successfully produced a match that did verify (false alarm rate) is 13. And, finally, 2 of the experiments failed to find a correct match and verify it. Results for experiments with real images are also presented.

  11. Physico-chemical characterization of sesame oil derivatives.

    Science.gov (United States)

    Zanardi, Iacopo; Travagli, Valter; Gabbrielli, Alessandro; Chiasserini, Luisa; Bocci, Velio

    2008-09-01

    Ozone treatment of commercially available vegetable oils gives rise to the formation of chemical species that are responsible for the therapeutic properties of ozonated oil derivatives in dermatological diseases. In the last years, these products have been successfully used as a topical disinfectant in a number of serious skin affections. The medical application of empirically prepared ozonated oil has yielded striking improvements with unexpected and rapid healing, compelling us to begin a long-range study aiming first to define the main characteristics of the most common ozonated vegetable oils, about which there is usually no medical consensus because of the lack of standardization of their technological parameters. Sesame oil was selected because of its great amount of polyunsaturated acyl groups, as well as natural antioxidants. Moreover, we have determined the kinetics and optimal conditions of ozonation (e.g., ozone concentrations, time of exposure, temperature) for obtaining an ozonated oil characterized by well-established technological and physico-chemical properties, namely an accurate peroxide value determination. On the basis of the results, we have gained an understanding of the modifications of the vegetable oils during the ozonation process.

  12. Chemical characterization of a marine conditioning film

    Digital Repository Service at National Institute of Oceanography (India)

    Garg, A.; Jain, A.; Bhosle, N.B.

    . 2. Materials and Methods 2.1. Chemicals and reagents Glass cover slips were purchased from Blue Star, India. Standard sugars and, myo- inositol were obtained from Sigma (St. Louis, MO, USA). Sodium carbonate, NaOH, HCl and methanol were of high... purity AR grades and were purchased from s.d. Fine Chemicals, Mumbai. Methanol was double distilled before use. Distilled water was purified using UV- Milli-Q water purification system (Millipore, Bangalore, India). 2.2. Preparation and deployment...

  13. Microbial mediated preparation, characterization and optimization of gold nanoparticles.

    Science.gov (United States)

    Barabadi, Hamed; Honary, Soheila; Ebrahimi, Pouneh; Mohammadi, Milad Ali; Alizadeh, Ahad; Naghibi, Farzaneh

    2014-01-01

    The need for eco-friendly and cost effective methods for nanoparticles synthesis is developing interest in biological approaches which are free from the use of toxic chemicals as byproducts. This study aimed to biosynthesize and optimize the size of gold nanoparticles which produced by biotechnological method using Penicillium crustosum isolated from soil. Initially, Penicillium crustosum was grown in fluid czapek dox broth on shaker at 28 °C and 200 rpm for ten days and then the supernatant was separated from the mycelia to convert AuCl₄ solution into gold nanoparticles. The synthesized nanoparticles in the optimum conditions were formed with fairly well-defined dimensions and good monodispersity. The characterizations were done by using different methods (UV-Visible Spectroscopy, Fluorescence, FT-IR, AFM (Atomic Force Microscopy) and DLS (Dynamic Light Scattering). The bioconversion was optimized by Box-Behnken experimental design. The results show that the effective factors in this process were concentration of AuCl₄, pH of medium and temperature of shaker incubator. The R(2) value was calculated to be 0.9999 indicating the accuracy and ability of the polynomial model. It can be concluded that the use of multivariate analysis facilitated to find out the optimum conditions for the biosynthesis of gold nanoparticles induced by Penicillium crustosum in a time and cost effective process. The current approach suggested that rapid synthesis of gold nanoparticles would be suitable for developing a biological process for mass scale production of formulations.

  14. Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization.

    Science.gov (United States)

    Khavrutskii, Ilja V; Smith, Jason B; Wallqvist, Anders

    2013-10-28

    Here, we apply the harmonic Fourier beads (HFB) path optimization method to study chemical reactions involving covalent bond breaking and forming on quantum mechanical (QM) and hybrid QM∕molecular mechanical (QM∕MM) potential energy surfaces. To improve efficiency of the path optimization on such computationally demanding potentials, we combined HFB with conjugate gradient (CG) optimization. The combined CG-HFB method was used to study two biologically relevant reactions, namely, L- to D-alanine amino acid inversion and alcohol acylation by amides. The optimized paths revealed several unexpected reaction steps in the gas phase. For example, on the B3LYP∕6-31G(d,p) potential, we found that alanine inversion proceeded via previously unknown intermediates, 2-iminopropane-1,1-diol and 3-amino-3-methyloxiran-2-ol. The CG-HFB method accurately located transition states, aiding in the interpretation of complex reaction mechanisms. Thus, on the B3LYP∕6-31G(d,p) potential, the gas phase activation barriers for the inversion and acylation reactions were 50.5 and 39.9 kcal∕mol, respectively. These barriers determine the spontaneous loss of amino acid chirality and cleavage of peptide bonds in proteins. We conclude that the combined CG-HFB method further advances QM and QM∕MM studies of reaction mechanisms.

  15. Nondestructive Method for Bulk Chemical Characterization of Barred Olivine Chondrules

    Science.gov (United States)

    Montoya-Perez, M. A.; Cervantes-de la Cruz, K. E.; Ruvalcaba-Sil, J. L.

    2017-02-01

    This work develops a bulk chemical characterization of barred olivine chondrules based on the XRF analysis using a portable equipment at the National Research and Conservation Science Laboratory of Cultural Heritage (LANCIC-IF) in Mexico City.

  16. Exploring experimental fitness landscapes for chemical synthesis and property optimization.

    Science.gov (United States)

    Tibbetts, Katharine Moore; Feng, Xiao-Jiang; Rabitz, Herschel

    2017-02-08

    Optimization is a central goal in the chemical sciences, encompassing diverse objectives including synthesis yield, catalytic activity of a material, and binding efficiency of a molecule to a target protein. Considering the enormous size of chemical space and the expected large numbers of experiments necessary to search through it in any particular application, optimization in chemistry is surprisingly efficient. This good fortune has recently been explained by analysis of the fitness landscape, i.e., the functional relationship between a target objective J (e.g., percent yield, catalytic activity) and a suitable set of variables (e.g., resources such as reactant concentrations and processing conditions). Mathematical analysis has demonstrated that, upon satisfaction of reasonable physical assumptions, the fitness landscape contains no local sub-optimal "traps" that preclude identification of the globally best value of J, in a development called the "OptiChem" theorem. One of the key assumptions behind the theorem is that sufficient resources are available to achieve the posed optimization goal. This work assesses the validity of this assumption underlying the OptiChem theorem through examination of experimental data from the recent literature. In order to explore fitness landscapes in high dimensions where the landscape cannot be visualized, a high dimensional model representation (HDMR) of experimental data is used to construct a model landscape amenable to topology assessment via gradient algorithm search. This method is shown to correctly capture the trap-free topology of a four-dimensional landscape where the objective is to optimize the composition of a solid state material (subject to an elemental mole-fraction constraint) for catalytic activity towards the oxygen evolution reaction. Analysis of a six-dimensional landscape for the objective of maximizing the photoluminescence of rare-earth solid state materials subject to two elemental mole

  17. OPTIMIZATION OF CHEMICAL AND ENZYMATIC DEINKING OF PHOTOCOPIER WASTE PAPER

    Directory of Open Access Journals (Sweden)

    Puneet Pathak

    2011-02-01

    Full Text Available The utilization of post-consumer papers in the production of new paper products is increasing all over the world in recent years. Recycling of photocopier paper is a major problem due to difficulty in removal of non-impact ink. Enzymes offer potential advantages in ecofriendly deinking of recovered paper. In this study the deinking of photocopier paper was examined using chemicals and a commercial cellulase enzyme. Parameters of deinking experiments were optimized for hydrapulping. The ink was removed by flotation and washing processes. Then these parameters were compared in terms of ink removal ability of the process, as well as optical and strength properties of the deinked paper. The application of enzymatic deinking improved ink removal efficiency by 24.6% and freeness by 21.6% with a reduction in drainage time of 11.5% in comparison to those obtained with chemical deinking. The physical properties, namely burst index and tensile index, were observed to improve by 15.3% and 2.7%, respectively and brightness and tear index decreased by 2.1% and 21.9%, respectively. Results of deinking efficiency of photocopier paper showed that the enzyme used in the present work performed better than the conventional chemicals used for deinking.

  18. Thermodynamics principles characterizing physical and chemical processes

    CERN Document Server

    Honig, Jurgen M

    1999-01-01

    This book provides a concise overview of thermodynamics, and is written in a manner which makes the difficult subject matter understandable. Thermodynamics is systematic in its presentation and covers many subjects that are generally not dealt with in competing books such as: Carathéodory''s approach to the Second Law, the general theory of phase transitions, the origin of phase diagrams, the treatment of matter subjected to a variety of external fields, and the subject of irreversible thermodynamics.The book provides a first-principles, postulational, self-contained description of physical and chemical processes. Designed both as a textbook and as a monograph, the book stresses the fundamental principles, the logical development of the subject matter, and the applications in a variety of disciplines. This revised edition is based on teaching experience in the classroom, and incorporates many exercises in varying degrees of sophistication. The stress laid on a didactic, logical presentation, and on the relat...

  19. Morphological and Chemical Characterization of Psidium Species

    Directory of Open Access Journals (Sweden)

    Anshu SHARMA

    2010-06-01

    Full Text Available The present study was conducted to estimate genetic relationship among 20 genotypes of Psidium guajava and two species viz., P friedrichsthalianum Ndz. and P. catleianum Sabine, by morphological characterization. Out of 16 morphological characters studied, only inflorescence type did not show any variation, while the remaining traits showed variability to considerable extent. Morphological data on different genotypes were used to calculate similarity matrix which ranged from 0.06 to 0.50.and based on this cluster analysis was done using UPGMA. The genetic variation among genotypes was high enough to divide them into two major clusters. Cluster I consisted of �Chakaiya Rehmannagar�, �Gutaniwala�, �Super Max Ruby�, and �Spear Acid�, whereas cluster II consisted of the rest of 18 genotypes.

  20. Cyanobacterial Polyhydroxybutyrate (PHB: Screening, Optimization and Characterization.

    Directory of Open Access Journals (Sweden)

    Sabbir Ansari

    Full Text Available In modern life petroleum-based plastic has become indispensable due to its frequent use as an easily available and a low cost packaging and moulding material. However, its rapidly growing use is causing aquatic and terrestrial pollution. Under these circumstances, research and development for biodegradable plastic (bioplastics is inevitable. Polyhydroxybutyrate (PHB, a type of microbial polyester that accumulates as a carbon/energy storage material in various microorganisms can be a good alternative. In this study, 23 cyanobacterial strains (15 heterocystous and 8 non-heterocystous were screened for PHB production. The highest PHB (6.44% w/w of dry cells was detected in Nostoc muscorum NCCU- 442 and the lowest in Spirulina platensis NCCU-S5 (0.51% w/w of dry cells, whereas no PHB was found in Cylindrospermum sp., Oscillatoria sp. and Plectonema sp. Presence of PHB granules in Nostoc muscorum NCCU- 442 was confirmed microscopically with Sudan black B and Nile red A staining. Pretreatment of biomass with methanol: acetone: water: dimethylformamide [40: 40: 18: 2 (MAD-I] with 2 h magnetic bar stirring followed by 30 h continuous chloroform soxhlet extraction acted as optimal extraction conditions. Optimized physicochemical conditions viz. 7.5 pH, 30°C temperature, 10:14 h light:dark periods with 0.4% glucose (as additional carbon source, 1.0 gl-1 sodium chloride and phosphorus deficiency yielded 26.37% PHB on 7th day instead of 21st day. Using FTIR, 1H NMR and GC-MS, extracted polymer was identified as PHB. Thermal properties (melting temperature, decomposition temperatures etc. of the extracted polymer were determined by TGA and DSC. Further, the polymer showed good tensile strength and young's modulus with a low extension to break ratio comparable to petrochemical plastic. Biodegradability potential tested as weight loss percentage showed efficient degradation (24.58% of PHB within 60 days by mixed microbial culture in comparison to

  1. Cyanobacterial Polyhydroxybutyrate (PHB): Screening, Optimization and Characterization

    Science.gov (United States)

    Ansari, Sabbir; Fatma, Tasneem

    2016-01-01

    In modern life petroleum-based plastic has become indispensable due to its frequent use as an easily available and a low cost packaging and moulding material. However, its rapidly growing use is causing aquatic and terrestrial pollution. Under these circumstances, research and development for biodegradable plastic (bioplastics) is inevitable. Polyhydroxybutyrate (PHB), a type of microbial polyester that accumulates as a carbon/energy storage material in various microorganisms can be a good alternative. In this study, 23 cyanobacterial strains (15 heterocystous and 8 non-heterocystous) were screened for PHB production. The highest PHB (6.44% w/w of dry cells) was detected in Nostoc muscorum NCCU- 442 and the lowest in Spirulina platensis NCCU-S5 (0.51% w/w of dry cells), whereas no PHB was found in Cylindrospermum sp., Oscillatoria sp. and Plectonema sp. Presence of PHB granules in Nostoc muscorum NCCU- 442 was confirmed microscopically with Sudan black B and Nile red A staining. Pretreatment of biomass with methanol: acetone: water: dimethylformamide [40: 40: 18: 2 (MAD-I)] with 2 h magnetic bar stirring followed by 30 h continuous chloroform soxhlet extraction acted as optimal extraction conditions. Optimized physicochemical conditions viz. 7.5 pH, 30°C temperature, 10:14 h light:dark periods with 0.4% glucose (as additional carbon source), 1.0 gl-1 sodium chloride and phosphorus deficiency yielded 26.37% PHB on 7th day instead of 21st day. Using FTIR, 1H NMR and GC-MS, extracted polymer was identified as PHB. Thermal properties (melting temperature, decomposition temperatures etc.) of the extracted polymer were determined by TGA and DSC. Further, the polymer showed good tensile strength and young’s modulus with a low extension to break ratio comparable to petrochemical plastic. Biodegradability potential tested as weight loss percentage showed efficient degradation (24.58%) of PHB within 60 days by mixed microbial culture in comparison to petrochemical plastic

  2. Towards consensus in chemical characterization modeling for LCA:

    DEFF Research Database (Denmark)

    Rosenbaum, Ralf; Hauschild, Michael Zwicky; Bachmann, Till;

    2006-01-01

    A comprehensive LCIA characterization model comparison is being undertaken in the UNEP/SETAC Life Cycle Initiative, focusing on toxicity impacts and directly involving the developers of all models included. The main objective is to identify where differences come from, what indispensable model...... components are and if there can be a consensus model built from them, leading towards recommended practice in chemical characterization for LCIA. The models were selected in an open process inviting all models identified to be capable of characterizing a chemical in terms of environmental fate, human...... exposure, human toxicity and ecotoxicity. The invitation was accepted by the developers of CalTOX, IMPACT 2002, USES-LCA, EDIP, WATSON, and EcoSense. A consistent chemical test set comprising 66 organic (generic, amphiphilic and dissociating) and inorganic (metals, salts) compounds was selected...

  3. Advanced nozzle characterization for hydrogen fluoride overtone chemical lasers

    Science.gov (United States)

    Duncan, William A.; Patterson, Stanley P.; Graves, Bruce R.; Sollee, Jeffrey L.; Yonehara, Gordon N.; Dering, John P.

    1992-07-01

    The parametric characterization and optimization of the hypersonic, low-temperature (HYLTE) nozzle concept for the hydrogen fluoride (HF) overtone and HF fundamental performance are reviewed. The HF fundamental space-based laser for weapons systems is considered to be more mature, nearer term potential application than the overtone. Emphasis is placed on the Task 3 advanced gain generator technology configurations (AGGTC) aimed at a thorough characterization in the fundamental regime. The experiments were based on advanced multilayer dielectric coatings on uncooled silicon substrates. It is concluded that the Task 3 AGGTC hardware functioned quite well in optimizing the performance of the HYLTE nozzle concept.

  4. Characterization, Modeling, and Optimization of Light-Emitting Diode Systems

    DEFF Research Database (Denmark)

    Thorseth, Anders

    This thesis explores, characterization, modeling, and optimization of light-emitting diodes (LED) for general illumination. An automated setup has been developed for spectral radiometric characterization of LED components with precise control of the settings of forward current and operating...... comparing the chromaticity of the measured SPD with tted models, the deviation is found to be larger than the lower limit of human color perception. A method has been developed to optimize multicolored cluster LED systems with respect to light quality, using multi objective optimization. The results...... temperature. The automated setup has been used to characterize commercial LED components with respect to multiple settings. It is shown that the droop in quantum efficiency can be approximated by a simple parabolic function. The investigated models of the spectral power distributions (SPD) from LEDs...

  5. An optimized, chemically regulated gene expression system for Chlamydomonas.

    Directory of Open Access Journals (Sweden)

    Paola Ferrante

    Full Text Available BACKGROUND: Chlamydomonas reinhardtii is a model system for algal and cell biology and is used for biotechnological applications, such as molecular farming or biological hydrogen production. The Chlamydomonas metal-responsive CYC6 promoter is repressed by copper and induced by nickel ions. However, induction by nickel is weak in some strains, poorly reversible by chelating agents like EDTA, and causes, at high concentrations, toxicity side effects on Chlamydomonas growth. Removal of these bottlenecks will encourage the wide use of this promoter as a chemically regulated gene expression system. METHODOLOGY: Using a codon-optimized Renilla luciferase as a reporter gene, we explored several strategies to improve the strength and reversibility of CYC6 promoter induction. Use of the first intron of the RBCS2 gene or of a modified TAP medium increases the strength of CYC6 induction up to 20-fold. In the modified medium, induction is also obtained after addition of specific copper chelators, like TETA. At low concentrations (up to 10 microM TETA is a more efficient inducer than Ni, which becomes a very efficient inducer at higher concentrations (50 microM. Neither TETA nor Ni show toxicity effects at the concentrations used. Unlike induction by Ni, induction by TETA is completely reversible by micromolar copper concentrations, thus resulting in a transient "wave" in luciferase activity, which can be repeated in subsequent growth cycles. CONCLUSIONS: We have worked out a chemically regulated gene expression system that can be finely tuned to produce temporally controlled "waves" in gene expression. The use of cassettes containing the CYC6 promoter, and of modified growth media, is a reliable and economically sustainable system for the temporally controlled expression of foreign genes in Chlamydomonas.

  6. Physical and chemical characterization of particles in producer gas

    DEFF Research Database (Denmark)

    Hindsgaul, Claus; Henriksen, Ulrik B.; Bentzen, Jens Dall;

    2000-01-01

    Particles in the gas from a two-stage (separate pyrolysis and gasification) down-draft biomass gasifier were collected and characterized. Their concentration, geometries and chemical compositions were investigated. Special attention was given to features suspected to harm internal combustion (IC...

  7. On the chemical characterization of colloid cyst contents

    NARCIS (Netherlands)

    Veerman, ECI; Go, KG; Molenaar, WM; Amerongen, AVN; Vissink, A

    1998-01-01

    Colloid cysts of the third ventricle have been investigated by chemical characterization of the cyst contents using ELISA with monoclonal antibodies for certain carbohydrate epitopes as well as a polyclonal antiserum against peptide domains, and immunohistochemistry on the cyst wall using the same a

  8. Wide spectral range characterization of antireflective coatings and their optimization

    Science.gov (United States)

    Franta, Daniel; Nečas, David; Ohlídal, Ivan; Jankuj, Jiří

    2015-09-01

    Development of antireflective coatings realized by thin film systems requires their characterization and optimization of their properties. Functional properties of such interference devices are determined by optical constants and thicknesses of the individual films and various defects taking place in these systems. In optics industry the characterization of the films is mostly performed in a relatively narrow spectral range using simple dispersion models and, moreover, the defects are not taken into account at all. This manner of characterization fails if applied to real-world non-ideal thin film systems because the measured data do not contain sufficient information about all the parameters describing the system including imperfections. Reliable characterization requires the following changes: extension of spectral range of measurements, combination of spectrophotometry and ellipsometry, utilization of physically correct dispersion models (Kramers-Kronig consistency, sum rules), inclusion of structural defects instrument imperfection into the models and simultaneous processing of all experimental data. This enables us to remove or reduce a correlation among the parameters searched so that correct and sufficiently precise determination of parameter values is achieved. Since the presence and properties of the defects are difficult to control independently by tuning of the deposition conditions, the optimization does not in general involve the elimination of defects. Instead they are taken into account in the design of the film systems. The outlined approach is demonstrated on the characterization and optimization of ultraviolet antireflective coating formed by double layer of Al2O3 and MgF2 deposited on fused silica.

  9. A Comprehensive Approach for Pectin Chemical and Functional Characterization

    DEFF Research Database (Denmark)

    de Sousa, António Felipe Gomes Teixeira

    In this work, a comprehensive approach for the chemical and functional analysis of pectin was used in order to relate the different extraction conditions used to the polymer structure and the final functional (mainly gelling) properties. A wide range of methods were utilized including chemical...... and chromatographic characterization methods (HPAEC and HPSEC), rheological measurements of elasticity, and biological epitopes detection using carbohydrate microarrays. The end product of this study is expected to contribute to the knowledge of pectin polymeric conformation and structure-function properties as well...

  10. Semi-refined κ-carrageenan: Part 1. Chemical modification of semi-refined κ-carrageenan via graft copolymerization method, optimization process and characterization of its super absorbent hydrogel.

    Directory of Open Access Journals (Sweden)

    Jamaluddin Mohd. Daud

    2015-06-01

    Full Text Available This study was carried out for the preparation of super absorbent polymer hydrogel from semi-refined κ-carrageenan originated from Kappaphycusalvarezii (Doty Doty ex P. Silva through graft copolymerization method with acrylic acid. The reaction was carried out in an aqueous solution in the presence of N,N-methylene bis-acrylamide as a crosslinker and ammonium persulphate as an initiator. The effect of the amount of cross linker, monomer, initiator and alkali on the swelling capacity of the hydrogel was investigated for optimum conditions.After preparing the desired hydrogel according to optimum conditions, the hydrogel was characterized by FTIR spectroscopy, SEM microscopy and swelling capacity measurement.

  11. Enhancement of a semi-batch chemical reactor efficiency through its dimensions optimization

    OpenAIRE

    Macků, Lubomír; Novosad, David

    2015-01-01

    Efficiency of manufacturing processes is very important in today's competitive world with hard economic rules. In chemical engineering area the efficiency depends on the production heart, which is often a chemical reactor. In this paper authors describe process of optimal semi-batch exothermic reactor dimensions finding. The task is to find reactor dimensions which lead to process efficiency improving, i.e. to processing the greater chemicals amount in the same or shorter time. The optimizing...

  12. NOVEL MULTI-LEVEL OPTIMIZATION METHOD FOR CHEMICAL COMPLEX USING INTELLIGENT AGENT

    Institute of Scientific and Technical Information of China (English)

    Xiaojun LI; Huanjun YU; Shangxu HU

    2003-01-01

    Multi-level optimization of complex chemical complex was comprehensively analyzed, including the optimization of management plan, production scheme, operating conditions, etc. The software framework of multi-level optimization of chemical complex was worked out. Basing upon the frame of multi-level optimization, the intelligent agent technique was adopted to search for global optimum. The organization, function, design and the implementation of a series of intelligent agents were discussed. According to the strategy that to spend most computing time in optimization solving and much less time in exchanging information regarding the tasks and results of optimization through network, the communication mechanism and cooperation rules for Multi-Agent System for hierarchically optimizing chemical complex was proposed.

  13. Optimized MOL-PCR for Characterization of Microbial Pathogens.

    Science.gov (United States)

    Wuyts, Véronique; Roosens, Nancy H C; Bertrand, Sophie; Marchal, Kathleen; De Keersmaecker, Sigrid C J

    2016-01-06

    Characterization of microbial pathogens is necessary for surveillance, outbreak detection, and tracing of outbreak sources. This unit describes a multiplex oligonucleotide ligation-PCR (MOL-PCR) optimized for characterization of microbial pathogens. With MOL-PCR, different types of markers, like unique sequences, single-nucleotide polymorphisms (SNPs) and indels, can be simultaneously analyzed in one assay. This assay consists of a multiplex ligation for detection of the markers, a singleplex PCR for signal amplification, and hybridization to MagPlex-TAG beads for readout on a Luminex platform after fluorescent staining. The current protocol describes the MOL-PCR, as well as methods for DNA isolation, probe design, and data interpretation and it is based on an optimized MOL-PCR assay for subtyping of Salmonella Typhimurium.

  14. Physical and chemical characterization of cerium(IV) oxide nanoparticles.

    Science.gov (United States)

    Cepriá, Gemma; Córdova, Walvin R; Céspedes, Oscar; Sánchez-García, Laura; Ferrer, Pilar; Gianolio, Diego; Castillo, Juan R

    2016-09-01

    Chemical composition, size and structure of the nanoparticle are required to describe nanoceria. Nanoparticles of similar size and Ce(III) content might exhibit different chemical behaviour due to their differences in structure. A simple and direct procedure based on affordable techniques for all the laboratories is presented in this paper. The combination of Raman and UV-vis spectroscopy and particle impact coulometry (PIC) allows the characterization of nanoceria of small size from 4 to 65 nm at a concentration from micromolar to nanomolar, a concentration range suitable for the analysis of lab-prepared or commercial nanoparticle suspensions, but too high for most analytical purposes aimed at nanoparticle monitoring. While the PIC limits of size detection are too high to observe small nanoparticles unless catalytic amplification is used, the method provides a simple means to study aggregation of nanoparticles in the media they are needed to be dispersed for each application. Raman spectroscopy provided information about structure of the nanoparticle, and UV-vis about their chemical behaviour against some common reducing and oxidizing agents. Graphical Abstract To characterize nanoceria it is necessary to provide information about the shape, size and structure of the nanoparticles as well as the chemical composition.

  15. Chemical characterization and genetic relationships among Ocimum basilicum L. cultivars.

    Science.gov (United States)

    Liber, Zlatko; Carović-Stanko, Klaudija; Politeo, Olivera; Strikić, Frane; Kolak, Ivan; Milos, Mladen; Satovic, Zlatko

    2011-11-01

    Twenty-seven Ocimum basilicum cultivars were subjected to a chemical characterization of essential oil components by gas chromatography/mass spectrometry (GC/MS) and a genetic characterization using the amplified fragment-length polymorphism (AFLP) technique. Since the same 27 accessions had previously been classified into six morphotypes, these analyses allowed us to make detailed comparisons of chemistry, genetics, and morphology. The chemical composition and morphology of the studied cultivars appeared to have a strong genetic component. The AFLP analysis revealed a distinction between the green and purple morphotypes. The green morphotypes predominantly utilized the terpene biosynthetic pathway, while most purple morphotypes primarily utilized the phenylpropene biosynthetic pathway. The GC/MS analysis led to identification of 87 volatiles. Among the 27 cultivars, five chemotypes were identified. A detailed characterization of the essential oil constituents indicated the existence of both specific combinations of compounds and 'private' compounds with the potential to be used in many aspects of human life. The established relationship between a genetic profile, chemical composition, and morphology represents an important step in future breeding programs and in the cultivation of this species.

  16. Physical and chemical characterization of bioaerosols - Implications for nucleation processes

    Science.gov (United States)

    Ariya, P. A.; Sun, J.; Eltouny, N. A.; Hudson, E. D.; Hayes, C. T.; Kos, G.

    The importance of organic compounds in the oxidative capacity of the atmosphere, and as cloud condensation and ice-forming nuclei, has been recognized for several decades. Organic compounds comprise a significant fraction of the suspended matter mass, leading to local (e.g. toxicity, health hazards) and global (e.g. climate change) impacts. The state of knowledge of the physical chemistry of organic aerosols has increased during the last few decades. However, due to their complex chemistry and the multifaceted processes in which they are involved, the importance of organic aerosols, particularly bioaerosols, in driving physical and chemical atmospheric processes is still very uncertain and poorly understood. Factors such as solubility, surface tension, chemical impurities, volatility, morphology, contact angle, deliquescence, wettability, and the oxidation process are pivotal in the understanding of the activation processes of cloud droplets, and their chemical structures, solubilities and even the molecular configuration of the microbial outer membrane, all impact ice and cloud nucleation processes in the atmosphere. The aim of this review paper is to assess the current state of knowledge regarding chemical and physical characterization of bioaerosols with a focus on those properties important in nucleation processes. We herein discuss the potential importance (or lack thereof) of physical and chemical properties of bioaerosols and illustrate how the knowledge of these properties can be employed to study nucleation processes using a modeling exercise. We also outline a list of major uncertainties due to a lack of understanding of the processes involved or lack of available data. We will also discuss key issues of atmospheric significance deserving future physical chemistry research in the fields of bioaerosol characterization and microphysics, as well as bioaerosol modeling. These fundamental questions are to be addressed prior to any definite conclusions on the

  17. Using Chemicals to Optimize Conformance Control in Fractured Reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Seright, Randall; Liang, Jenn-Tai; Schrader, Richard; Hagstrom II, John; Wang, Ying; Kumar, Anand; Wavrik, Kathryn

    2001-09-07

    The objectives of this project are: (1) to develop a capability to predict and optimize the ability of gels to reduce permeability to water more than that to oil or gas, (2) to develop procedures for optimizing blocking agent placement in wells where hydraulic fractures cause channeling problems, and (3) to develop procedures to optimize blocking agent placement in naturally fractured reservoirs. Work was directed at both injection wells and production wells and at vertical, horizontal, and highly deviated wells.

  18. Gain generator optimization for hydrogen fluoride overtone and fundamental chemical lasers

    Science.gov (United States)

    Duncan, William A.; Patterson, Stanley P.; Graves, Bruce R.; Sollee, Jeffrey L.; Yonehara, Gordon N.; Dering, John P.

    1993-06-01

    The hydrogen fluoride (HF) chemical laser is the baseline concept for SDIO space based laser (SBL) weapons systems. Ground based tests at power levels appropriate for this application have been demonstrated. Because the brightness of a laser beam projected to the far field is inversely proportional to the square of the wavelength, shorter wavelengths are desirable to enhance brightness on target. Development of the HF overtone chemical laser ((lambda) equals 1.3 - 1.4 micrometers ) as a growth technology for SBL applications has proceeded rapidly during the past several years. This paper reviews the parametric characterization and optimization of the Hypersonic, Low-Temperature (HYLTE) nozzle concept for HF overtone and HF fundamental performance. The experiments utilize advanced multilayer dielectric coatings on uncooled silicon substrates. The experimental results reported include laser power, small signal gain, mode footprint, and spectral content. The design of a multiple nozzle HYLTE module as a building block to an advanced high power HF chemical laser device is presented. Design philosophy emphasizes traceability from an intermediate size linear module to a full scale cylindrical gain generator for SBL applications. The key issues addressed are power scalability, fabricability, regenerative cooling capability, and thermal/structural performance.

  19. Mineralogical, chemical and toxicological characterization of urban air particles.

    Science.gov (United States)

    Čupr, Pavel; Flegrová, Zuzana; Franců, Juraj; Landlová, Linda; Klánová, Jana

    2013-04-01

    Systematic characterization of morphological, mineralogical, chemical and toxicological properties of various size fractions of the atmospheric particulate matter was a main focus of this study together with an assessment of the human health risks they pose. Even though near-ground atmospheric aerosols have been a subject of intensive research in recent years, data integrating chemical composition of particles and health risks are still scarce and the particle size aspect has not been properly addressed yet. Filling this gap, however, is necessary for reliable risk assessment. A high volume ambient air sampler equipped with a multi-stage cascade impactor was used for size specific particle collection, and all 6 fractions were a subject of detailed characterization of chemical (PAHs) and mineralogical composition of the particles, their mass size distribution and genotoxic potential of organic extracts. Finally, the risk level for inhalation exposure associated to the carcinogenic character of the studied PAHs has been assessed. The finest fraction (<0.45 μm) exhibited the highest mass, highest active surface, highest amount of associated PAHs and also highest direct and indirect genotoxic potentials in our model air sample. Risk assessment of inhalation scenario indicates the significant cancer risk values in PM 1.5 size fraction. This presented new approach proved to be a useful tool for human health risk assessment in the areas with significant levels of air dust concentration.

  20. Chemical, Electrical and Thermal Characterization of Nanoceramic Silicon Carbide

    Science.gov (United States)

    Martin, Hervie; Abunaemeh, Malek; Smith, Cydale; Muntele, Claudiu; Budak, Satilmish; Ila, Daryush

    2009-03-01

    Silicon carbide (SiC) is a lightweight high bandgap semiconductor material that can maintain dimensional and chemical stability in adverse environments and very high temperatures. These properties make it suitable for high temperature thermoelectric converters. At the Center for Irradiaton of Materials (CIM) we design, manufacture and fabricate nanoceramic SiC, and perform electrical, thermal and chemical characterization of the material using particle induced X-ray emission (PIXE), Rutherford backscattering spectroscopy (RBS), Seebeck coefficient, electrical conductivity, and thermal conductivity measurements to calculate its efficiency as a thermoelectric generator. We are looking to compare the electrical and thermal properties of SiC ceramics with some other materials used for the same purposes.

  1. Characterization of iron-phosphate-silicate chemical garden structures.

    Science.gov (United States)

    Barge, Laura M; Doloboff, Ivria J; White, Lauren M; Stucky, Galen D; Russell, Michael J; Kanik, Isik

    2012-02-28

    Chemical gardens form when ferrous chloride hydrate seed crystals are added or concentrated solutions are injected into solutions of sodium silicate and potassium phosphate. Various precipitation morphologies are observed depending on silicate and phosphate concentrations, including hollow plumes, bulbs, and tubes. The growth of precipitates is controlled by the internal osmotic pressure, fluid buoyancy, and membrane strength. Additionally, rapid bubble-led growth is observed when silicate concentrations are high. ESEM/EDX analysis confirms compositional gradients within the membranes, and voltage measurements across the membranes during growth show a final potential of around 150-200 mV, indicating that electrochemical gradients are maintained across the membranes as growth proceeds. The characterization of chemical gardens formed with iron, silicate, and phosphate, three important components of an early earth prebiotic hydrothermal system, can help us understand the properties of analogous structures that likely formed at submarine alkaline hydrothermal vents in the Hadean-structures offering themselves as the hatchery of life.

  2. Chemical characterization of fingerprints from adults and children

    Energy Technology Data Exchange (ETDEWEB)

    Buchanan, M.V.; Asano, K. [Oak Ridge National Lab., TN (United States); Bohanon, A. [Knoxville Police Dept., TN (United States)

    1996-12-31

    Observation that children`s fingerprints disappear from surfaces more quickly than adults`, initiated a study to characterize the chemical components in fingerprints. Samples were obtained from about 50 individuals ranging in age from 3 to 64 by extracting chemicals from the fingertips using rubbing alcohol. Using combined gas chromatography/mass spectrometry, a wide range of compounds were identified. Samples from children contained higher levels of relatively volatile free fatty acids, while those from adults had higher levels of less volatile long chain esters of fatty acids. These esters are thought to originate from sebaceous glands located on the face and levels of these compounds increase substantially after puberty. Also, other compounds were observed that could be used to develop improved methods for fingerprint detection at a crime scene. Further, observation of specific compounds raises the possibility of being able to identify personal traits (gender, habits, diseases, etc. ) via analysis of components in fingerprints and/or skin.

  3. Chemical and Physicochemical Characterization of Winter Squash (Cucurbita moschata D.

    Directory of Open Access Journals (Sweden)

    Noelia JACOBO-VALENZUELA

    2011-05-01

    Full Text Available Winter squash cv ‘Cehualca’ (Cucurbita moschata Duchense is a seasonal crop that has been used as food and animal feed. The objective of the present study was to characterize physical, chemical and physicochemical properties of the winter squash cv ‘Cehualca’. Morphological, chemical and physicochemical analyses were performed, including fiber, carotenoids, phenolic and mineral contents in the winter squash. The morphological analysis showed that the squash ‘Cehualca’ did not have a homogeneous morphology. Data about their physical and physicochemical characteristics showed large variability. Also, high content of carotenoids and dietary fiber was observed in squash. The oil and total phenolic content was low in comparison with other fruits. The mineral content exceeded the values recommended to meet the nutritional needs of consumers, except for sodium (both in pulp and shell, potassium and magnesium in the shell.

  4. Physico-chemical characterizations of Cr doped persistent luminescence nanoparticles

    Science.gov (United States)

    Lecuyer, T.; Teston, E.; Maldiney, T.; Scherman, D.; Richard, C.

    2016-03-01

    Persistent luminescence nanoparticles have recently been proposed as innovative optical probes for small animal in vivo imaging. The main advantage of such probes is their ability to emit light for a long time after the end of their excitation, allowing in vivo imaging with low background. This work reports new information on the physico-chemical characterizations of Cr doped ZnGa2O4 nanoprobes in terms of synthetic procedure, luminescence properties as well as colloidal stabilities in different aqueous media and over the time.

  5. Optimization of a Reduced Chemical Kinetic Model for HCCI Engine Simulations by Micro-Genetic Algorithm

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A reduced chemical kinetic model (44 species and 72 reactions) for the homogeneous charge compression ignition (HCCI) combustion of n-heptane was optimized to improve its autoignition predictions under different engine operating conditions. The seven kinetic parameters of the optimized model were determined by using the combination of a micro-genetic algorithm optimization methodology and the SENKIN program of CHEMKIN chemical kinetics software package. The optimization was performed within the range of equivalence ratios 0.2-1.2, initial temperature 310-375 K and initial pressure 0.1-0.3 MPa. The engine simulations show that the optimized model agrees better with the detailed chemical kinetic model (544 species and 2 446 reactions) than the original model does.

  6. Optimal Measures for Characterizing Water-rich Super-Earths

    CERN Document Server

    Madhusudhan, Nikku

    2014-01-01

    The detection and atmospheric characterization of super-Earths is one of the major frontiers of exoplanetary science. Currently, extensive efforts are underway to detect molecules, particularly H2O, in super-Earth atmospheres. In the present work, we develop a systematic set of strategies to identify and observe potentially H2O-rich super-Earths that provide the best prospects for characterizing their atmospheres using existing instruments. Firstly, we provide analytic prescriptions and discuss factors that need to be taken into account while planning and interpreting observations of super-Earth radii and spectra. We discuss how observations in different spectral bandpasses constrain different atmospheric properties of a super-Earth, including radius and temperature of the planetary surface as well as the mean molecular mass, the chemical composition and thermal profile of the atmosphere. In particular, we caution that radii measured in certain bandpasses can induce biases in the interpretation of the interio...

  7. Chemically Optimizing Operational Efficiency of Molecular Rotary Motors

    NARCIS (Netherlands)

    Conyard, Jamie; Cnossen, Arjen; Browne, Wesley R.; Feringa, Ben L.; Meech, Stephen R.

    2014-01-01

    Unidirectional molecular rotary motors that harness photoinduced cis-trans (E-Z) isomerization are promising tools for the conversion of light energy to mechanical motion in nanoscale molecular machines. Considerable progress has been made in optimizing the frequency of ground-state rotation, but le

  8. Characterization of members to stellar kinematic groups using chemical tagging

    Science.gov (United States)

    Tabernero, H. M.

    2014-10-01

    In this thesis we have characterized more than one thousand late-type stars. For this characterization we have been making use of high resolution spectroscopy (R > 40,000) taken in different spectrographs, HERMES at the Mercator telescope in La Palma, FOCES in the 2.2m telescope at Calar Alto, the Coudé-Echelle spectrograph at 2 m-the Alfred- Jensch-Teleskop in Tautenburg, and UVES at the Very Large Telescope in La Silla. Stellar spectroscopy, in particular at high-resolution, is a modern tool that allows us to extract a lot of information of a given star. In particular, we have obtained their atmospheric parameters, namely: effective temperature (Teff), surface gravity (log g), microturbulent velocity (ξ), and iron abundance ([Fe/H], used as a metallicity proxy). An automatic code (StePar) has been developed. This code allows to derive stellar atmospheric parameters (Teff , log g, ξ, and [Fe/H]) only in a few minutes. Also, with these parameters at hand we have derived chemical abundances for 20 different chemical elements: Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Ba, Ce, and Nd, which offer many or at least some isolated transitions in the wavelength range of the spectra taken with these spectrographs. This work comprises two publications in Astronomy & Astrophysics. The first one is about chemical tagging applied to the Hyades SC (see Chapter 2 or Tabernero et al. 2012). The second paper is a in-depth study of the chemical composition of candidate members to the Ursa Major MG (see Chapter 3 or Tabernero et al. 2015). Additionally there is another chapter that comprises the analysis of Galactic stars within the GAIA ESO Survey stars (GES, Gilmore et al. 2012; Randich & Gilmore 2013) whose data have contributed to the publication of some release (Lanzafame et al. 2014; Smiljanic et al. 2014) and science papers (Jofre et al. 2014; Sousa et al. 2014; Spina et al. 2014a,b) that made use the survey results. The two papers included in

  9. Essays on Port, Container, and Bulk Chemical Logistics Optimization

    NARCIS (Netherlands)

    E. van Asperen (Eelco)

    2009-01-01

    textabstractThe essays in this thesis are concerned with two main themes in port logistics. The first theme is the coordination of transport arrivals with the distribution processes and the use of storage facilities. We study this for both containerized and bulk chemical transport. The second theme

  10. Aspects and Views on Mathematical Optimization in Logistics in the Chemical Process Industry

    OpenAIRE

    Kallrath, Josef

    2009-01-01

    In large chemical companies, traffic logistics and supply chain logistics contain many decision problems which are suitable to be solved by mathematical optimization. The objectives are to exploit resources (traffic infrastructure such as roads and rail lines, production equipment) in a cost optimal way and to maximize profit. We present two cases: optimal sequences of rail cars in trains visiting various plants in a large company complex, and production and distributio...

  11. Using Fisher Information Criteria for Chemical Sensor Selection via Convex Optimization Methods

    Science.gov (United States)

    2016-11-16

    best sensors after an optimization procedure. Due to the positive definite nature of the Fisher information matrix, convex optimization may be used to...parametrized to select the best sensors after an optimization procedure. Due to the positive definite nature of the Fisher information matrix, convex op...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6180--16-9711 Using Fisher Information Criteria for Chemical Sensor Selection via Convex

  12. Technology Evaluation Workshop Report for Tank Waste Chemical Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Eberlein, S.J.

    1994-04-01

    A Tank Waste Chemical Characterization Technology Evaluation Workshop was held August 24--26, 1993. The workshop was intended to identify and evaluate technologies appropriate for the in situ and hot cell characterization of the chemical composition of Hanford waste tank materials. The participants were asked to identify technologies that show applicability to the needs and good prospects for deployment in the hot cell or tanks. They were also asked to identify the tasks required to pursue the development of specific technologies to deployment readiness. This report describes the findings of the workshop. Three focus areas were identified for detailed discussion: (1) elemental analysis, (2) molecular analysis, and (3) gas analysis. The technologies were restricted to those which do not require sample preparation. Attachment 1 contains the final workshop agenda and a complete list of attendees. An information package (Attachment 2) was provided to all participants in advance to provide information about the Hanford tank environment, needs, current characterization practices, potential deployment approaches, and the evaluation procedure. The participants also received a summary of potential technologies (Attachment 3). The workshop opened with a plenary session, describing the background and issues in more detail. Copies of these presentations are contained in Attachments 4, 5 and 6. This session was followed by breakout sessions in each of the three focus areas. The workshop closed with a plenary session where each focus group presented its findings. This report summarizes the findings of each of the focus groups. The evaluation criteria and information about specific technologies are tabulated at the end of each section in the report. The detailed notes from each focus group are contained in Attachments 7, 8 and 9.

  13. Nanomechanical characterization of chemical interaction between gold nanoparticles and chemical functional groups

    Science.gov (United States)

    Lee, Gyudo; Lee, Hyungbeen; Nam, Kihwan; Han, Jae-Hee; Yang, Jaemoon; Lee, Sang Woo; Yoon, Dae Sung; Eom, Kilho; Kwon, Taeyun

    2012-10-01

    We report on how to quantify the binding affinity between a nanoparticle and chemical functional group using various experimental methods such as cantilever assay, PeakForce quantitative nanomechanical property mapping, and lateral force microscopy. For the immobilization of Au nanoparticles (AuNPs) onto a microscale silicon substrate, we have considered two different chemical functional molecules of amine and catecholamine (here, dopamine was used). It is found that catecholamine-modified surface is more effective for the functionalization of AuNPs onto the surface than the amine-modified surface, which has been shown from our various experiments. The dimensionless parameter (i.e., ratio of binding affinity) introduced in this work from such experiments is useful in quantitatively depicting such binding affinity, indicating that the binding affinity and stability between AuNPs and catecholamine is approximately 1.5 times stronger than that between amine and AuNPs. Our study sheds light on the experiment-based quantitative characterization of the binding affinity between nanomaterial and chemical groups, which will eventually provide an insight into how to effectively design the functional material using chemical groups.

  14. Nanomechanical characterization of chemical interaction between gold nanoparticles and chemical functional groups.

    Science.gov (United States)

    Lee, Gyudo; Lee, Hyungbeen; Nam, Kihwan; Han, Jae-Hee; Yang, Jaemoon; Lee, Sang Woo; Yoon, Dae Sung; Eom, Kilho; Kwon, Taeyun

    2012-10-31

    We report on how to quantify the binding affinity between a nanoparticle and chemical functional group using various experimental methods such as cantilever assay, PeakForce quantitative nanomechanical property mapping, and lateral force microscopy. For the immobilization of Au nanoparticles (AuNPs) onto a microscale silicon substrate, we have considered two different chemical functional molecules of amine and catecholamine (here, dopamine was used). It is found that catecholamine-modified surface is more effective for the functionalization of AuNPs onto the surface than the amine-modified surface, which has been shown from our various experiments. The dimensionless parameter (i.e., ratio of binding affinity) introduced in this work from such experiments is useful in quantitatively depicting such binding affinity, indicating that the binding affinity and stability between AuNPs and catecholamine is approximately 1.5 times stronger than that between amine and AuNPs. Our study sheds light on the experiment-based quantitative characterization of the binding affinity between nanomaterial and chemical groups, which will eventually provide an insight into how to effectively design the functional material using chemical groups.

  15. Using Chemical Reaction Kinetics to Predict Optimal Antibiotic Treatment Strategies

    Science.gov (United States)

    Abel zur Wiesch, Pia; Cohen, Ted

    2017-01-01

    Identifying optimal dosing of antibiotics has proven challenging—some antibiotics are most effective when they are administered periodically at high doses, while others work best when minimizing concentration fluctuations. Mechanistic explanations for why antibiotics differ in their optimal dosing are lacking, limiting our ability to predict optimal therapy and leading to long and costly experiments. We use mathematical models that describe both bacterial growth and intracellular antibiotic-target binding to investigate the effects of fluctuating antibiotic concentrations on individual bacterial cells and bacterial populations. We show that physicochemical parameters, e.g. the rate of drug transmembrane diffusion and the antibiotic-target complex half-life are sufficient to explain which treatment strategy is most effective. If the drug-target complex dissociates rapidly, the antibiotic must be kept constantly at a concentration that prevents bacterial replication. If antibiotics cross bacterial cell envelopes slowly to reach their target, there is a delay in the onset of action that may be reduced by increasing initial antibiotic concentration. Finally, slow drug-target dissociation and slow diffusion out of cells act to prolong antibiotic effects, thereby allowing for less frequent dosing. Our model can be used as a tool in the rational design of treatment for bacterial infections. It is easily adaptable to other biological systems, e.g. HIV, malaria and cancer, where the effects of physiological fluctuations of drug concentration are also poorly understood. PMID:28060813

  16. Optimizing Dvl PDZ domain inhibitor by exploring chemical space

    Science.gov (United States)

    Shan, Jufang; Zheng, Jie J.

    2009-01-01

    Because of advances in the high-throughput screening technology, identification of a hit that can bind to a target protein has become a relatively easy task; however, in the process of drug discovery, the following hit-to-lead and lead optimization still remain challenging. In a typical hit-to-lead and lead optimization process, the analogues of the most promising hits are synthesized for the development of structure-activity relationship (SAR) analysis, and in turn, in the effort of optimization of lead compounds, such analysis provides guidance for the further synthesis. The synthesis processes are usually long and labor-intensive. In silico searching has becoming an alternative approach to explore SAR especially with millions of compounds ready to be screened and most of them can be easily obtained. Here, we report our discovery of 15 new Dishevelled PDZ domain inhibitors by using such an approach. In our studies, we first developed a pharmacophore model based on NSC668036, an inhibitor previously identified in our laboratory; based on the model, we then screened the ChemDiv database by using an algorithm that combines similarity search and docking procedures; finally, we selected potent inhibitors based on docking analysis and examined them by using NMR spectroscopy. NMR experiments showed that all the 15 compounds we chose bound to the PDZ domain tighter than NSC668036.

  17. Smooth Constrained Heuristic Optimization of a Combinatorial Chemical Space

    Science.gov (United States)

    2015-05-01

    ground state to excited state α, links the linear absorption spectrum to the hyperpolarizability.36 From Eq. 2, low excitation energies coupled with...maximal hyperpolarizability). But such a material would not be able to transmit anything. Hence, it is necessary to navigate the trade-off between...Lilienfeld OA, Tuckerman ME. Molecular grand -canonical ensemble density functional theory and exploration of chemical space. J Chem Phys. 2006;125(15

  18. Purification, characterization and production optimization of a vibriocin produced by mangrove associated Vibrio parahaemolyticus

    Institute of Scientific and Technical Information of China (English)

    Baskar Balakrishnan; Sathish Thadikamala; Prabakaran Panchatcharam

    2014-01-01

    Objective: To identify a potential bacterium which produces antimicrobial peptide (vibriocin), and its purification, characterization and production optimization. The bacteria subjected in the study were isolated from a highly competitive ecological niche of mangrove ecosystem. Methods:The bacterium was characterized by phenotype besides 16S rRNA gene sequence analysis.The antibacterial activity was recognised by using agar well diffusion method. The vibriocin was purified using ammonium sulphate precipitation, butanol extraction, gel filtration chromatography, ion-exchange chromatography and subsequently, by HPLC. Molecular weight of the substance identified in SDS-PAGE. Production optimization performed according to Taguchi’s mathematical model using 6 different nutritional parameters as variables. Results:The objective bacterium was identified as Vibrio parahaemolyticus. The vibriocin showed 18 KDa of molecular mass with mono peptide in nature and highest activity against pathogenic Vibrio harveyi. The peptide act stable in a wide range of pH, temperature, UV radiation, solvents and chemicals utilized. An overall ~20% of vibriocin production was improved, and was noticed that NaCl and agitation speed played a vital role in secretion of vibriocin. Conclusion: The vibriocin identified here would be an effective alternative for chemically synthesized drugs for the management of Vibrio infections in mariculture industry.

  19. Temperature buffer test. Hydro-mechanical and chemical/ mineralogical characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Aakesson, Mattias; Olsson, Siv; Dueck, Ann; Nilsson, Ulf; Karnland, Ola [Clay Technology AB, Lund (Sweden); Kiviranta, Leena; Kumpulainen, Sirpa [BandTech Oy, Helsinki (Finland); Linden, Johan [Aabo Akademi, Aabo (Finland)

    2012-01-15

    The Temperature Buffer Test (TBT) is a joint project between SKB/ANDRA and supported by ENRESA (modeling) and DBE (instrumentation), which aims at improving the understanding and to model the thermo-hydro-mechanical behavior of buffers made of swelling clay submitted to high temperatures (over 100 deg C) during the water saturation process. The test has been carried out in a KBS-3 deposition hole at Aspo HRL. It was installed during the spring of 2003. Two steel heaters (3 m long, 0.6 m diameter) and two buffer arrangements have been investigated: the lower heater was surrounded by rings of compacted Wyoming bentonite only, whereas the upper heater was surrounded by a composite barrier, with a sand shield between the heater and the bentonite. The test was dismantled and sampled during the winter of 2009/2010. This report presents the hydro-mechanical and chemical/mineralogical characterization program which was launched subsequent to the dismantling operation. The main goal has been to investigate if any significant differences could be observed between material from the field experiment and the reference material. The field samples were mainly taken from Ring 4 (located at the mid-section around the lower heater), in which the temperature in the innermost part reached 155 deg C. The following hydro-mechanical properties have been determined for the material (test technique within brackets): hydraulic conductivity (swelling pressure device), swelling pressure (swelling pressure device), unconfined compression strength (mechanical press), shear strength (triaxial cell) and retention properties (jar method). The following chemical/mineralogical properties (methods within brackets) were determined: anion analysis of water leachates (IC), chemical composition (ICP/AES+MS, EGA), cation exchange capacity (CEC, Cu-trien method) and exchangeable cations (exchange with NH4, ICPAES), mineralogical composition (XRD and FTIR), element distribution and microstructure (SEM and

  20. Optimization of the determination of chemical oxygen demand in wastewaters.

    Science.gov (United States)

    Silva, Alexandra M E Viana da; Silva, Ricardo J N Bettencourt da; Camões, M Filomena G F C

    2011-08-12

    Chemical oxygen demand (COD) is one of the most relevant chemical parameters for the management of wastewater treatment facilities including the control of the quality of an effluent. The adequacy of decisions based on COD values relies on the quality of the measurements. Cost effective management of the minor sources of uncertainty can be applied to the analytical procedure without affecting measurement quality. This work presents a detailed assessment of the determination of COD values in wastewaters, according to ISO6060:1989 standard, which can support reduction of both measurement uncertainty and cost of analysis. This assessment includes the definition of the measurement traceability chain and the validation of the measurement procedure supported on sound and objective criteria. Detailed models of the measurement performance, including uncertainty, developed from the Differential Approach, were successfully validated by proficiency tests. The assumption of the measurement function linearity of the uncertainty propagation law was tested through the comparison with the numerical Kragten method. The gathered information supported the definition of strategies for measurement uncertainty or cost reduction. The developed models are available as electronic supplementary material, in an MS-Excel file, to be updated with the user's data.

  1. Chemical complexity in astrophysical simulations: optimization and reduction techniques

    CERN Document Server

    Grassi, T; Schleicher, D; Gianturco, F A

    2012-01-01

    Chemistry has a key role in the evolution of the interstellar medium (ISM), so it is highly desirable to follow its evolution in numerical simulations. However, it may easily dominate the computational cost when applied to large systems. In this paper we discuss two approaches to reduce these costs: (i) based on computational strategies, and (ii) based on the properties and on the topology of the chemical network. The first methods are more robust, while the second are meant to be giving important information on the structure of large, complex networks. To this aim we first discuss the numerical solvers for integrating the system of ordinary differential equations (ODE) associated with the chemical network. We then propose a buffer method that decreases the computational time spent in solving the ODE system. We further discuss a flux-based method that allows one to determine and then cut on the fly the less active reactions. In addition we also present a topological approach for selecting the most probable sp...

  2. A numerical scheme for optimal transition paths of stochastic chemical kinetic systems

    Science.gov (United States)

    Liu, Di

    2008-10-01

    We present a new framework for finding the optimal transition paths of metastable stochastic chemical kinetic systems with large system size. The optimal transition paths are identified to be the most probable paths according to the Large Deviation Theory of stochastic processes. Dynamical equations for the optimal transition paths are derived using the variational principle. A modified Minimum Action Method (MAM) is proposed as a numerical scheme to solve the optimal transition paths. Applications to Gene Regulatory Networks such as the toggle switch model and the Lactose Operon Model in Escherichia coli are presented as numerical examples.

  3. Design and optimization of pulsed Chemical Exchange Saturation Transfer MRI using a multiobjective genetic algorithm.

    Science.gov (United States)

    Yoshimaru, Eriko S; Randtke, Edward A; Pagel, Mark D; Cárdenas-Rodríguez, Julio

    2016-02-01

    Pulsed Chemical Exchange Saturation Transfer (CEST) MRI experimental parameters and RF saturation pulse shapes were optimized using a multiobjective genetic algorithm. The optimization was carried out for RF saturation duty cycles of 50% and 90%, and results were compared to continuous wave saturation and Gaussian waveform. In both simulation and phantom experiments, continuous wave saturation performed the best, followed by parameters and shapes optimized by the genetic algorithm and then followed by Gaussian waveform. We have successfully demonstrated that the genetic algorithm is able to optimize pulse CEST parameters and that the results are translatable to clinical scanners.

  4. Interfacial characterization and analytical applications of chemically-modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jianhong [Iowa State Univ., Ames, IA (United States)

    1998-02-23

    The goal of this work is to explore several new strategies and approaches to the surface modification and the microscopic characterization of interfaces in the areas mainly targeting sensor technologies that are of interest to environmental control or monitoring, and scanning probe microscopies techniques that can monitor interfacial chemical reactions in real time. Centered on the main theme, four specific topics are presented as four chapters in this dissertation following the general introduction. Chapter 1 describes the development of two immobilization schemes for covalently immobilizing fluoresceinamine at cellulose acetate and its application as a pH sensing film. Chapter 2 investigates the applicability of SFM to following the base-hydrolysis of a dithio-bis(succinimidylundecanoate) monolayer at gold in situ. Chapter 3 studies the mechanism for the accelerated rate of hydrolysis of the dithio-bis(succinimidylundecanoate) monolayer at Au(111) surface. Chapter 4 focuses on the development of an electrochemical approach to the elimination of chloride interference in Chemical Oxygen Demand (COD) analysis of waste water. The procedures, results and conclusions are described in each chapter. This report contains the introduction, references, and general conclusions. Chapters have been processed separately for inclusion on the data base. 95 refs.

  5. Physico-Chemical Characterization Of Maluku Nutmeg Oil

    Directory of Open Access Journals (Sweden)

    Ilyas Marzuki

    2014-05-01

    Full Text Available The essential oil of Banda nutmeg was extracted using hydro-distillation method to characterize their essential oil and volatile components.  Banda, Ambon, and Luhu nutmegs were chosen as sample ecotypes. Nutmeg oils were subjected to physico-chemical and GC-MC analyses.  Results indicated that nutmeg from the three ecotypes produced uncolored oils with the contents in mature seed were 11.69, 11.92, and 9.99%, respectively. Meanwhile those of immature seeds contained 13.32, 11.99, and 11.03% respectively.  Furthermore, the physico-chemical of the oil are specific gravity 0.897 to 0.909 g/ml; refraction index, 1.489 to 1.491; and optical rotation, +11.40 to +16,30.GC-MS analysis suggested that essential oils Maluku nutmegs composed of 28 to 31 components and also showed that nutmeg from Banda comprised 52.8% monoterpene hydrocarbon (MH, 21.11% oxygenated monoterpene (OM, and 18,04% aromatic compound (AC; Ambon’s 45.12% MH, 24.51% OM, and 16.97% AC; and Luhu’s 56.06% MH, 27.34% OM, and 13.62% AC.  Further analysis indicated that there were four important volatile oils fractions in nutmegs i.e. myristicin, elemicin, safrole, and eugenol. Maluku nutmeg contain 5.57 to 13.76% myristicin and 0.97 to 2.46% safrole. In conclusion, nutmeg oil shows a high stability in all physico-chemical properties.  Nutmeg from Banda ecotype has the highest content in myristicin.

  6. Geometrical characterization and performance optimization of monopropellant thruster injector

    Directory of Open Access Journals (Sweden)

    T.R. Nada

    2012-12-01

    Full Text Available The function of the injector in a monopropellant thruster is to atomize the liquid hydrazine and to distribute it over the catalyst bed as uniformly as possible. A second objective is to place the maximum amount of catalyst in contact with the propellant in as short time as possible to minimize the starting transient time. Coverage by the spray is controlled mainly by cone angle and diameter of the catalyst bed, while atomization quality is measured by the Sauter Mean Diameter, SMD. These parameters are evaluated using empirical formulae. In this paper, two main types of injectors are investigated; plain orifice and full cone pressure swirl injectors. The performance of these two types is examined for use with blow down monopropellant propulsion system. A comprehensive characterization is given and design charts are introduced to facilitate optimizing the performance of the injector. Full-cone injector is a more suitable choice for monopropellant thruster and it might be available commercially.

  7. Parametric Optimization of Electrothermal-chemical (ETC) Launchers

    Institute of Scientific and Technical Information of China (English)

    陈林; 徐敏; 宋盛义; 仇旭

    2002-01-01

    The research on a 30 mm electrothermal-chemical (ETC) gun including theoretical simulation and experimental results is presented in this paper. The predictions of the theoretical model which is composed of three parts (i.e., pulse forming network, plasma generator and interior ballistics) are in good agreement with the experiments. In addition, we have performed some liquid propellant and solid propellant experiments, respectively. Among the solid propellant experiments, we have investigated the ignition modes of propellant and high velocity launchers. As a result, the 25: 75 mixture of octane and hydrogen peroxide has a better effect than other liquid propellants. When the propellants are ignited nearby the bottom of projectile in chamber by using an ullage tube connected with the plasma generator, the kinetic energy of projectile will increase, while the chamber pressure will decrease. With a total input electrical energy of 180 k J, the exit velocity of projectile is up to 2.1 km/s or so.

  8. Joining of Silicon Carbide: Diffusion Bond Optimization and Characterization

    Science.gov (United States)

    Halbig, Michael C.; Singh, Mrityunjay

    2008-01-01

    Joining and integration methods are critically needed as enabling technologies for the full utilization of advanced ceramic components in aerospace and aeronautics applications. One such application is a lean direct injector for a turbine engine to achieve low NOx emissions. In the application, several SiC substrates with different hole patterns to form fuel and combustion air channels are bonded to form the injector. Diffusion bonding is a joining approach that offers uniform bonds with high temperature capability, chemical stability, and high strength. Diffusion bonding was investigated with the aid of titanium foils and coatings as the interlayer between SiC substrates to aid bonding. The influence of such variables as interlayer type, interlayer thickness, substrate finish, and processing time were investigated. Optical microscopy, scanning electron microscopy, and electron microprobe analysis were used to characterize the bonds and to identify the reaction formed phases.

  9. Chemical characterization of tomato juice fermented with bifidobacteria.

    Science.gov (United States)

    Koh, Jong-Ho; Kim, Youngshik; Oh, Jun-Hyun

    2010-06-01

    The objective of this research was to characterize the chemical properties of tomato juice fermented with bifidobacterial species. Tomato juice was prepared from fresh tomatoes and heated at 100 degrees C prior to fermentation. Bifidobacterium breve, Bifidobacterium longum, and Bifidobacterium infantis were inoculated in tomato juice and kept at 35 to 37 degrees C for up to 6 h. Fructooligosaccharide (FOS) was added to tomato juice prior to fermentation. The analyses for brix, total titratable acidity (TTA), pH, color, and lycopene content were conducted to characterize tomato juices fermented with bifidobacterial species. Heat treatment of tomato juice did not cause any significant changes in brix, pH, and TTA. Only the redness of tomato juice was significantly increased, as the heating time increased to 30 min. The tomato juices fermented with B. breve and B. longum exhibited significant decreases in pH (3.51 and 3.80, respectively) and significant increases in TTA (13.50 and 12.50, respectively) (P tomato juice. The addition of FOS further improved the fermentation of tomato juice by bifidobacterial species. The lycopene contents of tomato juice were significantly increased from 88 to 113 microg/g by heat treatment at 100 degrees C (P < 0.05), however did not exhibit any significant change after fermentation with bifidobacterial species.

  10. Physical and chemical characterization of asphalt (bitumen) paving exposures.

    Science.gov (United States)

    Herrick, Robert F; McClean, Michael D; Meeker, John D; Zwack, Leonard; Hanley, Kevin

    2007-01-01

    The purpose of this research was to characterize the physical and chemical properties of asphalt (bitumen) fume and vapor in hot mix asphalt roadway paving operations. Area and personal air samples were taken using real-time equipment and extractive sampling and analytical methods to determine worker asphalt exposure, as well as to characterize the properties of the particulate and vapor phase components. Analysis of personal inhalation and dermal samples by gas chromatography/mass spectroscopy showed that the polycyclic aromatic hydrocarbon profile is dominated by compounds with molecular weights below 228, and that substituted and heterocyclic polycyclic aromatic hydrocarbons comprised approximately 71% of the detectable mass concentration (vapor and particulate combined). Principal components analysis shows that the polycyclic aromatic hydrocarbons with molecular weights greater than 190 are the driving force behind the polycyclic aromatic compound exposures measured for the dermal and particulate phases; there was no clear trend for the vapor phase Most of the aerosol particles are fine (mass median aerodynamic diameter 1.02 microm; count median diameter 0.24 microm).

  11. Optimal performance of a generalized irreversible four-reservoir isothermal chemical potential transformer

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A new cyclic model of a four-reservoir isothermal chemical potential transformer with irreversible mass transfer, mass leakage and internal dissipation is put forward in this paper. The optimal relation be-tween the coefficient of performance (COP) and the rate of energy pumping of the generalized irre-versible four-reservoir isothermal chemical potential transformer has been derived by using finite-time thermodynamics or thermodynamic optimization. The maximum COP and the corresponding rate of energy pumping, as well as the maximum rate of energy pumping and the corresponding COP, have been obtained. Moreover, the influences of the irreversibility on the optimal performance of the iso-thermal chemical potential transformer have been revealed. It was found that the mass leakage affects the optimal performance both qualitatively and quantitatively, while the internal dissipation affects the optimal performance quantitatively. The results obtained herein can provide some new theoretical guidelines for the optimal design and development of a class of isothermal chemical potential trans-formers, such as mass exchangers, electrochemical, photochemical and solid state devices, fuel pumps, etc.

  12. Optimal performance of a generalized irreversible four-reservoir isothermal chemical potential transformer

    Institute of Scientific and Technical Information of China (English)

    XIA Dan; CHEN LinGen; SUN FengRui

    2008-01-01

    A new cyclic model of a four-reservoir isothermal chemical potential transformer with irreversible mass transfer, mass leakage and internal dissipation is put forward in this paper. The optimal relation between the coefficient of performance (COP) and the rate of energy pumping of the generalized irreversible four-reservoir isothermal chemical potential transformer has been derived by using finite-time thermodynamics or thermodynamic optimization. The maximum COP and the corresponding rate of energy pumping, as well as the maximum rate of energy pumping and the corresponding COP, have been obtained. Moreover, the influences of the irreversibility on the optimal performance of the isothermal chemical potential transformer have been revealed. It was found that the mass leakage affects the optimal performance both qualitatively and quantitatively, while the internal dissipation affects the optimal performance quantitatively. The results obtained herein can provide some new theoretical guidelines for the optimal design and development of a class of isothermal chemical potential transformers, such as mass exchangers, electrochemical, photochemical and solid state devices, fuel pumps, etc.

  13. Optimal design of sustainable chemical processes via a combined simulation-optimization approach

    OpenAIRE

    Brunet Solé, Robert

    2012-01-01

    The society is every day more conscious about the scarce of resources, the global economy, and the environmental changes. Hence, chemical companies have the necessity to be adapted and develop more sustainable processes. There is a clear demanding to the scientific community to develop systematic tools to achieve reductions in the production costs as well as the associated environmental impact in order to develop decision support tools for the design of chemical plants. This thesis introdu...

  14. Characterization and optimization of polymer electrolyte fuel cell electrodes

    Science.gov (United States)

    Boyer, Christopher Carter

    Experimental characterization and modeling were combined to find a procedure for optimizing the design of polymer electrolyte membrane fuel cell (PEMFC) electrodes. The mass transfer and kinetic properties of the active layer used in electrodes fabricated at the Center for Electrochemical Systems and Hydrogen Research (CESHR) were characterized as a function of electrolyte polymer content NafionRTM, DuPont, Fayetteville, NC) and catalyst loading for different types of platinum catalysts (E-Tek, Natick, MA). Expressions from limiting cases of the fuel cell model showed the combination of electrode materials for maximum current density at maximum catalyst utilization. Models describing the fuel cell behavior were selected and used to explain how different operating pressures affect the system power density and efficiency. An "inert layer" method was developed to determine the effective proton conductivity of the active layer. A "buffer layer" method was developed to determine the oxygen diffusivity in the gas pores. A review of the literature and experiments at CESHR was used to determine the oxygen reduction activity of the active layer. Finally, a fitting method was developed to measure the agglomerate diffusivity from cell tests. A PEMFC model demonstrated that operating the fuel cell pressurized can improve the power density at high currents because of oxygen mass transport. limitations in the substrate. However. as better electrode designs improve oxygen mass transfer, pressurized operation will lose this advantage. In addition, the model confirmed that oxygen enrichment systems require too much energy to separate oxygen from air to improve the net performance of a fuel cell. From limiting approximations of the solutions of the differential material balances in the fuel cell model, a simple set of analytical expressions were derived that predict the optimum active layer thickness and maximum current density based on the materials of construction and operating

  15. Parameter Optimization of Nitriding Process Using Chemical Kinetics

    Science.gov (United States)

    Özdemir, İ. Bedii; Akar, Firat; Lippmann, Nils

    2016-09-01

    Using the dynamics of chemical kinetics, an investigation to search for an optimum condition for a gas nitriding process is performed over the solution space spanned by the initial temperature and gas composition of the furnace. For a two-component furnace atmosphere, the results are presented in temporal variations of gas concentrations and the nitrogen coverage on the surface. It seems that the exploitation of the nitriding kinetics can provide important feedback for setting the model-based control algorithms. The present work shows that when the nitrogen gas concentration is not allowed to exceed 6 pct, the Nad coverage can attain maximum values as high as 0.97. The time evolution of the Nad coverage also reveals that, as long as the temperature is above the value where nitrogen poisoning of the surface due to the low-temperature adsorption of excess nitrogen occurs, the initial ammonia content in the furnace atmosphere is much more important in the nitriding process than is the initial temperature.

  16. An optimized chemical synthesis of human relaxin-2.

    Science.gov (United States)

    Barlos, Kostas K; Gatos, Dimitrios; Vasileiou, Zoe; Barlos, Kleomenis

    2010-04-01

    Human gene 2 relaxin (RLX) is a member of the insulin superfamily and is a multi-functional factor playing a vital role in pregnancy, aging, fibrosis, cardioprotection, vasodilation, inflammation, and angiogenesis. RLX is currently applied in clinical trials to cure among others acute heart failure, fibrosis, and preeclampsia. The synthesis of RLX by chemical methods is difficult because of the insolubility of its B-chain and the required laborious and low yielding site-directed combination of its A (RLXA) and B (RLXB) chains. We report here that oxidation of the Met(25) residue of RLXB improves its solubility, allowing its effective solid-phase synthesis and application in random interchain combination reactions with RLXA. Linear Met(O)(25)-RLX B-chain (RLXBO) reacts with a mixture of isomers of bicyclic A-chain (bcRLXA) giving exclusively the native interchain combination. Applying this method Met(O)(25)-RLX (RLXO) was obtained in 62% yield and was easily converted to RLX in 78% yield, by reduction with ammonium iodide.

  17. A novel Chemical Reaction Optimization based Higher order Neural Network (CRO-HONN for nonlinear classification

    Directory of Open Access Journals (Sweden)

    Janmenjoy Nayak

    2015-09-01

    Full Text Available In this paper, a Chemical Reaction Optimization (CRO based higher order neural network with a single hidden layer called Pi–Sigma Neural Network (PSNN has been proposed for data classification which maintains fast learning capability and avoids the exponential increase of number of weights and processing units. CRO is a recent metaheuristic optimization algorithm inspired by chemical reactions, free from intricate operator and parameter settings such as other algorithms and loosely couples chemical reactions with optimization. The performance of the proposed CRO-PSNN has been tested with various benchmark datasets from UCI machine learning repository and compared with the resulting performance of PSNN, GA-PSNN, PSO-PSNN. The methods have been implemented in MATLAB and the accuracy measures have been tested by using the ANOVA statistical tool. Experimental results show that the proposed method is fast, steady and reliable and provides better classification accuracy than others.

  18. Process optimization by response surface design and characterization study on geniposide pharmacosomes.

    Science.gov (United States)

    Yue, Peng-Fei; Zheng, Qin; Wu, Bin; Yang, Ming; Wang, Mu-Sheng; Zhang, Hai-Yan; Hu, Peng-Yi; Wu, Zhen-Feng

    2012-01-01

    The objective of this study was to prepare and characterize geniposide-pharmcosomes (GP-PMS) and optimize the process and formulation variables using response surface methodology. Tetrahydrofuran was used as a reaction medium, GP and phospholipids were resolved into the medium, and GP-PMS was formed after the organic solvent was evaporated off under vacuum condition. The process and formulation variables were optimized by central composite design (CCD) of response surface methodology (RSM). The phospholipid-to-drug ratio (X(1)), reaction temperature (X(2)) and the drug concentration (X(3)) were selected as independent variables and the yield (%) of GP 'present as a complex' in the PMS was used as the dependent variable. The physico-chemical properties of the complex obtained by optimal parameters were investigated by means of Fourier transform infrared spectrophotometry (FT-IR), differential scanning calorimetry, n-octanol/water partition coefficient (P) and particle size analysis. Multiple linear regression analysis for optimization by CCD revealed that the higher the yield of GP 'present as a complex' in the GP-PMS was obtained wherein the optimal settings of X(1), X(2) and X(3) are 3, 50°C and 5.5 mg/mL, respectively. The DSC and IR studies of GP-PMS by the optimal settings demonstrated that GP and phospholipids in the GP-PMS were combined by non-covalent bond, not forming a new compound. GP-PMS could significantly increased the lipophilicify of GP, and P of GP-PMS in n-octanol and water was about 20 multiples more than that of GP material. Pharmacosomes could be an alternative approach to improve the absorption and permeation of biologically active constituents.

  19. Computation of optimal Mars trajectories via combined chemical/electrical propulsion, Part 3: Compromise solutions

    Science.gov (United States)

    Miele, A.; Wang, T.; Williams, P. N.

    2005-12-01

    The success of the solar-electric ion engine powering the DS1 spacecraft has paved the way toward the use of low-thrust electrical engines in future planetary/interplanetary missions. Vis-à-vis a chemical engine, an electrical engine has a higher specific impulse, implying a possible decrease in propellant mass; however, the low-thrust aspect discourages the use of an electrical engine in the near-planet phases of a trip, since this might result in an increase in flight time. Therefore, a fundamental design problem is to find the best combination of chemical propulsion and electrical propulsion for a given mission, for example, a mission from Earth to Mars. With this in mind, this paper is the third of a series dealing with the optimization of Earth Mars missions via the use of hybrid engines, namely the combination of high-thrust chemical engines for planetary flight and low-thrust electrical engines for interplanetary flight. We look at the deep-space interplanetary portion of the trajectory under rather idealized conditions. The two major performance indexes, the propellant mass and the flight time, are in conflict with one another for the following reason: any attempt at reducing the former causes an increase in the latter and vice versa. Therefore, it is natural to consider a compromise performance index involving the scaled values of the propellant mass and flight time weighted respectively by the compromise factor C and its complement 1-C. We use the compromise factor as the parameter of the one-parameter family of compromise trajectories. Analyses carried out with the sequential gradient-restoration algorithm for optimal control problems lead to results which can be highlighted as follows. Thrust profile. Generally speaking, the thrust profile of the compromise trajectory includes three subarcs: the first subarc is characterized by maximum thrust in conjunction with positive (upward) thrust direction; the second subarc is characterized by zero thrust

  20. Temperature buffer test. Hydro-mechanical and chemical/ mineralogical characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Aakesson, Mattias; Olsson, Siv; Dueck, Ann; Nilsson, Ulf; Karnland, Ola [Clay Technology AB, Lund (Sweden); Kiviranta, Leena; Kumpulainen, Sirpa [BandTech Oy, Helsinki (Finland); Linden, Johan [Aabo Akademi, Aabo (Finland)

    2012-01-15

    The Temperature Buffer Test (TBT) is a joint project between SKB/ANDRA and supported by ENRESA (modeling) and DBE (instrumentation), which aims at improving the understanding and to model the thermo-hydro-mechanical behavior of buffers made of swelling clay submitted to high temperatures (over 100 deg C) during the water saturation process. The test has been carried out in a KBS-3 deposition hole at Aspo HRL. It was installed during the spring of 2003. Two steel heaters (3 m long, 0.6 m diameter) and two buffer arrangements have been investigated: the lower heater was surrounded by rings of compacted Wyoming bentonite only, whereas the upper heater was surrounded by a composite barrier, with a sand shield between the heater and the bentonite. The test was dismantled and sampled during the winter of 2009/2010. This report presents the hydro-mechanical and chemical/mineralogical characterization program which was launched subsequent to the dismantling operation. The main goal has been to investigate if any significant differences could be observed between material from the field experiment and the reference material. The field samples were mainly taken from Ring 4 (located at the mid-section around the lower heater), in which the temperature in the innermost part reached 155 deg C. The following hydro-mechanical properties have been determined for the material (test technique within brackets): hydraulic conductivity (swelling pressure device), swelling pressure (swelling pressure device), unconfined compression strength (mechanical press), shear strength (triaxial cell) and retention properties (jar method). The following chemical/mineralogical properties (methods within brackets) were determined: anion analysis of water leachates (IC), chemical composition (ICP/AES+MS, EGA), cation exchange capacity (CEC, Cu-trien method) and exchangeable cations (exchange with NH4, ICPAES), mineralogical composition (XRD and FTIR), element distribution and microstructure (SEM and

  1. Extraction optimization, characterization and antioxidant activity of polysaccharide from Gentiana scabra bge.

    Science.gov (United States)

    Cheng, Zhenyu; Zhang, Yuewei; Song, Haiyan; Zhou, Hongli; Zhong, Fangli; Hu, Haobin; Feng, Yu

    2016-12-01

    In this study, optimization of smashing tissue extraction (STE), preliminary chemical characterization and antioxidant activity in vitro of crude polysaccharides (CPS) from Gentiana scabra bge (G. scabra) were investigated. The optimal extraction conditions were determined as follows: sample particle size of 80mesh, solid/liquid ratio of 1:34, extraction voltage of 157.09V and extraction time of 130.38s. Under these conditions, the extraction yield of CPS had reached 15.03±0.14% (n=3). Chemical composition analysis indicated CPS was mainly composed of mannose, rhamnose, galacturonic acid, glcose, galactose, arabinose and fucose in a molar ratio of 1.00:9.89:51.59:35.37:38.06:99.13:21.34, respectively. The average molecular weight of CPS was estimated to be 3.8×10(4)Da. In addition, the potential antioxidant activity of CPS extracted by STE were demonstrated by DPPH radical scavenging assay, superoxide anion radical scavenging assay, hydroxyl radical scavenging assay and ferric reducing power assay. Overall, this study provided an effective extraction technique for G. scabra polysaccharides which would be explored as a promising natural antioxidant agent applied in functional foods or medicines.

  2. Microencapsulation of phosphogypsum into a sulfur polymer matrix: Physico-chemical and radiological characterization

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, Felix A., E-mail: flopez@cenim.csic.es [Centro Nacional de Investigaciones Metalurgicas (CENIM), CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Gazquez, Manuel [Departamento de Fisica Aplicada, Universidad de Huelva, Campus de El Carmen, 21071 Huelva (Spain); Alguacil, Francisco Jose [Centro Nacional de Investigaciones Metalurgicas (CENIM), CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Bolivar, Juan Pedro [Departamento de Fisica Aplicada, Universidad de Huelva, Campus de El Carmen, 21071 Huelva (Spain); Garcia-Diaz, Irene [Centro Nacional de Investigaciones Metalurgicas (CENIM), CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Lopez-Coto, Israel [Departamento de Fisica Aplicada, Universidad de Huelva, Campus de El Carmen, 21071 Huelva (Spain)

    2011-08-15

    Highlights: {yields} Microencapsulation of phosphogypsum residues into a sulfur polymer matrix. {yields} Inertization of a waste material. {yields} Radiological characterization of the as built new material (phosphogypsum plus sulfur polymer matrix). - Abstract: The aim of this work is to prepare a new type of phosphogypsum-sulfur polymer cements (PG-SPC) to be utilised in the manufacture of building materials. Physico-chemical and radiological characterization was performed in phosphogypsum and phosphogypsum-sulfur polymer concretes and modeling of exhalation rates has been also carried out. An optimized mixture of the materials was obtained, the solidified material with optimal mixture (sulfur/phosphogypsum = 1:0.9, phosphogypsum dosage = 10-40 wt.%) results in highest strength (54-62 MPa) and low total porosity (2.8-6.8%). The activity concentration index (I) in the PG-SPC is lower than the reference value in the most international regulations and; therefore, these cements can be used without radiological restrictions in the manufacture of building materials. Under normal conditions of ventilation, the contribution to the expected radon indoor concentration in a standard room is below the international recommendations, so the building materials studied in this work can be applied to houses built up under normal ventilation conditions. Additionally, and taking into account that the PG is enriched in several natural radionuclides as {sup 226}Ra, the leaching experiments have demonstrated that environmental impact of the using of SPCs cements with PG is negligible.

  3. Characterization of biomass burning particles: chemical composition and processing

    Science.gov (United States)

    Hudson, P. K.; Murphy, D. M.; Cziczo, D. J.; Thomson, D. S.; Degouw, J.; Warneke, C.

    2003-12-01

    During the Intercontinental Transport and Chemical Transformation (ITCT) mission in April and May of 2002, a forest fire plume was intercepted over Utah on May 19. Gas phase species acetonitrile (CH3CN) (a biomass burning tracer) and carbon monoxide (CO) measured greater than five fold enhancements over background concentrations during this plume crossing. In the 100 sec plume crossing, the Particle Analysis by Laser Mass Spectrometry (PALMS) instrument acquired 202 positive mass spectra of biomass burning particles. Many of these particles contained potassium in addition to organics, carbon, and NO+ (which is a signature for any nitrogen containing compound such as ammonium or nitrate). From characterization of the particle mass spectra obtained during the plume crossing, a qualitative signature has been determined for identifying biomass burning particles. By applying this analysis to the entire ITCT mission, several transport events of smoke plumes have been identified and were confirmed by gas phase measurements. Additional species, such as sulfate, found in the mass spectra of the transported particles indicated processing or aging of the biomass burning particles that had taken place. The analysis has been extended to other field missions (Crystal-Face, ACCENT, and WAM) to identify biomass burning particles without the added benefit of gas phase measurements.

  4. Chemical and Biological Characterization of Oleanane Triterpenoids from Soy

    Directory of Open Access Journals (Sweden)

    David G. Popovich

    2009-08-01

    Full Text Available Soyasaponins are a group of complex and structural diverse oleanane triterpenoids found in soy (Glycine max and other legumes. They are primarily classified into two main groups − group A and B − based on the attachment of sugar moieties at positions C-3 and C-22 of the ring structures. Group A soyasaponins are bidesmosidic, while group B soyasaponins are monodesmosidic. Group B soyasaponins are further classified into two subcategories known as 2,3-dihydro-2,5-dihydroxy-6 -methyl-4H-pyran-4-one (DDMP and non-DDMP conjugated molecules. The preparation and purification of soyasaponin molecules is complicated by the presence of bioactive soy isoflavones, which often overlap with soyasaponin in polarity and must removed from extracts before biological assessment. Soyasaponin extracts, aglycones of group A and B and individual group B soyasaponins such as soyasaponin I have been reported to posses specific bioactive properties, such as in vitro anti-cancer properties by modulating the cell cycle and inducing apoptosis. The isolation, chemical characterization and detection strategies by HPLC and HPLC-MS are reviewed, along with the reported bioactive effects of soyasaponin extracts and individual molecules in cultured cancer cell experiments.

  5. Chemical and biological characterization of sclerosin, an antifungal lipopeptide.

    Science.gov (United States)

    Berry, Chrystal L; Brassinga, Ann Karen C; Donald, Lynda J; Fernando, W G Dilantha; Loewen, Peter C; de Kievit, Teresa R

    2012-08-01

    Pseudomonas sp. strain DF41 produces a lipopeptide, called sclerosin that inhibits the fungal pathogen Sclerotinia sclerotiorum . The aim of the current study was to deduce the chemical structure of this lipopeptide and further characterize its bioactivity. Mass spectrometry analysis determined the structure of sclerosin to be CH(3)-(CH(2))(6)-CH(OH)-CH(2)-CO-Dhb-Pro-Ala-Leu/Ile-Ala-Val-Val-Dhb-Thr-Val-Leu/Ile-Dhp-Ala-Ala-Ala-Val-Dhb-Dhb-Ala-Dab-Ser-Val-OH, similar to corpeptins A and B of the tolaasin group, differing by only 3 amino acids in the peptide chain. Subjecting sclerosin to various ring opening procedures revealed no new ions, suggesting that this molecule is linear. As such, sclerosin represents a new member of the tolaasin lipopeptide group. Incubation of S. sclerotinia ascospores and sclerotia in the presence of sclerosin inhibited the germination of both cell types. Sclerosin also exhibited antimicrobial activity against Bacillus species. Conversely, this lipopeptide demonstrated no zoosporicidal activity against the oomycete pathogen Phytophthora infestans . Next, we assessed the effect of DF41 and a lipopeptide-deficient mutant on the growth and development of Caenorhabditis elegans larvae. We discovered that sclerosin did not protect DF41 from ingestion by and degradation in the C. elegans digestive tract. However, another metabolite produced by this bacterium appeared to shorten the life-span of the nematode compared to C. elegans growing on Escherichia coli OP50.

  6. The chemical characterization of the gene: vicissitudes of evidential assessment.

    Science.gov (United States)

    Stegenga, Jacob

    2011-01-01

    The chemical characterization of the substance responsible for the phenomenon of "transformation" of pneumococci was presented in the now famous 1944 paper by Avery, MacLeod, and McCarty. Reception of this work was mixed. Although interpreting their results as evidence that deoxyribonucleic acid (DNA) is the molecule responsible for genetic changes was, at the time, controversial, this paper has been retrospectively celebrated as providing such evidence. The mixed and changing assessment of the evidence presented in the paper was due to the work's interpretive flexibility--the evidence was interpreted in various ways, and such interpretations were justified given the neophytic state of molecular biology and methodological limitations of Avery's transformation studies. I argue that the changing context in which the evidence presented by Avery's group was interpreted partly explains the vicissitudes of the assessments of the evidence. Two less compelling explanations of the reception are a myth-making account and an appeal to the wartime historical context of its publication.

  7. Chemical surface modification of porous silicon with palladium and characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Kanungo, J.; Maji, S.; Saha, H. [IC Design and Fabrication Centre, Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata 700032 (India); Basu, S., E-mail: sukumar_basu@yahoo.co.u [IC Design and Fabrication Centre, Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata 700032 (India)

    2010-03-15

    Porous silicon (PS) was formed on p-type crystalline silicon of (1 0 0) orientation and 2-5 OMEGA cm resistivity by the electrochemical anodization method using HF and ethanol as the electrolyte. Adjusting the current density and the HF concentration in the electrolyte the porosity of the samples were varied from 40% to 60%. The porous silicon surface was modified with PdCl{sub 2} solution by a low cost chemical method. Both the unmodified and the modified PS were thoroughly characterized by the EDAX analysis, the digital X-ray image mapping and the XPS study. Electrical characteristics were performed by the I-V measurements for both the lateral and the sandwich structures using Al metal contact. The I-V characteristics of the modified PS for all the porosity were more reproducible compared to the unmodified PS surfaces. It was further observed that the conductivity increased with the increasing porosity for the Pd-modified surfaces whereas it decreased for the unmodified PS.

  8. Crystal chemical characterization of mullite-type aluminum borate compounds

    Science.gov (United States)

    Hoffmann, K.; Hooper, T. J. N.; Zhao, H.; Kolb, U.; Murshed, M. M.; Fischer, M.; Lührs, H.; Nénert, G.; Kudějová, P.; Senyshyn, A.; Schneider, H.; Hanna, J. V.; Gesing, Th. M.; Fischer, R. X.

    2017-03-01

    Al-rich aluminum borates were prepared by different synthesis routes using various Al/B ratios, characterized by diffraction methods, spectroscopy and prompt gamma activation analysis. The 11B NMR data show a small amount of BO4 species in all samples. The chemical analysis indicates a trend in the Al/B ratio instead of a fixed composition. Both methods indicate a solid solution Al5-xB1+xO9 where Al is substituted by B in the range of 1-3%. The structure of B-rich Al4B2O9 (C2/m, a=1488 pm, b=553 pm, c=1502 pm, ß=90.6°), was re-investigated by electron diffraction methods, showing that structural details vary within a crystallite. In most of the domains the atoms are orderly distributed, showing no signal for the postulated channel oxygen atom O5. The absence of O5 is supported by density functional theory calculations. Other domains show a probable disordered configuration of O5 and O10, indicated by diffuse scattering along the b direction.

  9. Optimization of the sampling scheme for maps of physical and chemical properties estimated by kriging

    Directory of Open Access Journals (Sweden)

    Gener Tadeu Pereira

    2013-10-01

    Full Text Available The sampling scheme is essential in the investigation of the spatial variability of soil properties in Soil Science studies. The high costs of sampling schemes optimized with additional sampling points for each physical and chemical soil property, prevent their use in precision agriculture. The purpose of this study was to obtain an optimal sampling scheme for physical and chemical property sets and investigate its effect on the quality of soil sampling. Soil was sampled on a 42-ha area, with 206 geo-referenced points arranged in a regular grid spaced 50 m from each other, in a depth range of 0.00-0.20 m. In order to obtain an optimal sampling scheme for every physical and chemical property, a sample grid, a medium-scale variogram and the extended Spatial Simulated Annealing (SSA method were used to minimize kriging variance. The optimization procedure was validated by constructing maps of relative improvement comparing the sample configuration before and after the process. A greater concentration of recommended points in specific areas (NW-SE direction was observed, which also reflects a greater estimate variance at these locations. The addition of optimal samples, for specific regions, increased the accuracy up to 2 % for chemical and 1 % for physical properties. The use of a sample grid and medium-scale variogram, as previous information for the conception of additional sampling schemes, was very promising to determine the locations of these additional points for all physical and chemical soil properties, enhancing the accuracy of kriging estimates of the physical-chemical properties.

  10. Optimization and Characterization of Chitosan Enzymolysis by Pepsin

    Directory of Open Access Journals (Sweden)

    Bi Foua Claude Alain Gohi

    2016-07-01

    Full Text Available Pepsin was used to effectively degrade chitosan in order to make it more useful in biotechnological applications. The optimal conditions of enzymolysis were investigated on the basis of the response surface methodology (RSM. The structure of the degraded product was characterized by degree of depolymerization (DD, viscosity, molecular weight, FTIR, UV-VIS, SEM and polydispersity index analyses. The mechanism of chitosan degradation was correlated with cleavage of the glycosidic bond, whereby the chain of chitosan macromolecules was broken into smaller units, resulting in decreasing viscosity. The enzymolysis by pepsin was therefore a potentially applicable technique for the production of low molecular chitosan. Additionally, the substrate degradation kinetics of chitosan were also studied over a range of initial chitosan concentrations (3.0~18.0 g/L in order to study the characteristics of chitosan degradation. The dependence of the rate of chitosan degradation on the concentration of the chitosan can be described by Haldane’s model. In this model, the initial chitosan concentration above which the pepsin undergoes inhibition is inferred theoretically to be about 10.5 g/L.

  11. Preparation and characterization of nanostructured copper bismuth diselenide thin films from a chemical route

    Indian Academy of Sciences (India)

    R H Bari; L A Patil

    2010-12-01

    Thin films of copper bismuth diselenide were prepared by chemical bath deposition technique onto glass substrate below 60°C. The deposition parameters such as time, temperature of deposition and pH of the solution, were optimized. The set of films having different elemental compositions was prepared by varying Cu/Bi ratio from 0.13–1.74. Studies on structure, composition, morphology, optical absorption and electrical conductivity of the films were carried out and discussed. Characterization includes X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray analysis (EDAX), absorption spectroscopy, and electrical conductivity. The results are discussed and interpreted.

  12. Microstructural, chemical and textural characterization of ZnO nanorods synthesized by aerosol assisted chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Sáenz-Trevizo, A.; Amézaga-Madrid, P.; Fuentes-Cobas, L.; Pizá-Ruiz, P.; Antúnez-Flores, W.; Ornelas-Gutiérrez, C. [Centro de Investigación en Materiales Avanzados, S.C., Chihuahua, Chihuahua 31109 (Mexico); Pérez-García, S.A. [Centro de Investigación en Materiales Avanzados, S.C., Unidad Monterrey, Apodaca, Nuevo León 66600 (Mexico); Miki-Yoshida, M., E-mail: mario.miki@cimav.edu.mx [Centro de Investigación en Materiales Avanzados, S.C., Chihuahua, Chihuahua 31109 (Mexico)

    2014-12-15

    ZnO nanorods were synthesized by aerosol assisted chemical vapor deposition onto TiO{sub 2} covered borosilicate glass substrates. Deposition parameters were optimized and kept constant. Solely the effect of different nozzle velocities on the growth of ZnO nanorods was evaluated in order to develop a dense and uniform structure. The crystalline structure was characterized by conventional X-ray diffraction in grazing incidence and Bragg–Brentano configurations. In addition, two-dimensional grazing incidence synchrotron radiation diffraction was employed to determine the preferred growth direction of the nanorods. Morphology and growth characteristics analyzed by electron microscopy were correlated with diffraction outcomes. Chemical composition was established by X-ray photoelectron spectroscopy. X-ray diffraction results and X-ray photoelectron spectroscopy showed the presence of wurtzite ZnO and anatase TiO{sub 2} phases. Morphological changes noticed when the deposition velocity was lowered to the minimum, indicated the formation of relatively vertically oriented nanorods evenly distributed onto the TiO{sub 2} buffer film. By coupling two-dimensional X-ray diffraction and computational modeling with ANAELU it was proved that a successful texture determination was achieved and confirmed by scanning electron microscopy analysis. Texture analysis led to the conclusion of a preferred growth direction in [001] having a distribution width Ω = 20° ± 2°. - Highlights: • Uniform and pure single-crystal ZnO nanorods were obtained by AACVD technique. • Longitudinal and transversal axis parallel to the [001] and [110] directions, respectively. • Texture was determined by 2D synchrotron diffraction and electron microscopy analysis. • Nanorods have its [001] direction distributed close to the normal of the substrate. • Angular spread about the preferred orientation is 20° ± 2°.

  13. Extraction optimization, characterization and immunity activity of polysaccharides from Fructus Jujubae.

    Science.gov (United States)

    Cui, Guoting; Zhang, Wuxia; Wang, Qingjie; Zhang, Amin; Mu, Haibo; Bai, Hongjin; Duan, Jinyou

    2014-10-13

    The versatile Fructus Jujubae is widely used in Chinese and Korean traditional medicine. In this study, the extraction optimization, characterization and immunostimulatory activities of polysaccharides from Fructus Jujubae were investigated. Based on a four-variable-three-level Box-Behnken statistical design, the optimal extraction parameters were optimized as follows: extraction temperature 90 °C, extraction time 3.23 h, water to raw material ratio 33:1 and extraction 3 times. Under these conditions, the experimental yield of polysaccharides was 6.47 ± 0.26%, which was close to the predicted yield value (6.54%). The crude Fructus Jujubae polysaccharide was further purified by DEAE-cellulose chromatography repeatedly, and two homogenous fractions, designated as RQP1d and RQP2d with molecular weight of 83.8 and 123.0 kDa respectively, were obtained. Their structures were determined by chemical analysis, Fourier transform infrared (FT-IR) spectroscopy and scanning electron microscopy (SEM). Finally, preliminary immunological tests indicated that both RQP1d and RQP2d significantly stimulated NO production in RAW264.7 macrophages, and promoted LPS-induced splenocyte proliferation. These data implied Fructus Jujubae polysaccharides had the potential to be explored as novel natural immunostimulant for using in functional foods or medicine.

  14. Dynamic optimization of chemical cleaning in dead-end ultra filtration

    NARCIS (Netherlands)

    Zondervan, Edwin; Roffel, Brian

    2008-01-01

    In this paper a control strategy is formulated that minimizes the costs for a single chemical cleaning of a dead-end ultra filtration membrane. From the process model, the performance index and the constraints it can be derived that dynamic optimization will lead to a 'maximum effort control problem

  15. Chemical optimization of protein extraction from sweet potato (Ipomoea batatas) peel

    Science.gov (United States)

    Proteins isolated from sweet potatoes (Ipomoea batatas) have been shown to possess antidiabetic, antioxidant, and antiproliferative properties. The objective of this study was to chemically optimize a process for extracting proteins from sweet potato peel. The extraction procedure involved mixing pe...

  16. Synthesis and Characterization of Chemically Etched Nanostructured Silicon

    KAUST Repository

    Mughal, Asad Jahangir

    2012-05-01

    Silicon is an essential element in today’s modern world. Nanostructured Si is a more recently studied variant, which has currently garnered much attention. When its spatial dimensions are confined below a certain limit, its optical properties change dramatically. It transforms from an indirect bandgap material that does not absorb or emit light efficiently into one which can emit visible light at room temperatures. Although much work has been conducted in understanding the properties of nanostructured Si, in particular porous Si surfaces, a clear understanding of the origin of photoluminescence has not yet been produced. Typical synthesis approaches used to produce nanostructured Si, in particular porous Si and nanocrystalline Si have involved complex preparations used at high temperatures, pressures, or currents. The purpose of this thesis is to develop an easier synthesis approach to produce nanostructured Si as well as arrive at a clearer understanding of the origin of photoluminescence in these systems. We used a simple chemical etching technique followed by sonication to produce nanostructured Si suspensions. The etching process involved producing pores on the surface of a Si substrate in a solution containing hydrofluoric acid and an oxidant. Nanocrystalline Si as well as nanoscale amorphous porous Si suspensions were successfully synthesized using this process. We probed into the phase, composition, and origin of photoluminescence in these materials, through the use of several characterization techniques. TEM and SEM were used to determine morphology and phase. FT-IR and XPS were employed to study chemical compositions, and steady state and time resolved optical spectroscopy techniques were applied to resolve their photoluminescent properties. Our work has revealed that the type of oxidant utilized during etching had a significant impact on the final product. When using nitric acid as the oxidant, we formed nanocrystalline Si suspensions composed of

  17. Statistical optimization of synthesis procedure and characterization of europium (III) molybdate nano-plates

    Energy Technology Data Exchange (ETDEWEB)

    Pourmortazavi, Seied Mahdi [Malek Ashtar University of Technology, Faculty of Material and Manufacturing Technologies, P. O. Box 16765-3454, Tehran (Iran, Islamic Republic of); Rahimi-Nasrabadi, Mehdi [Imam Hossein University, Nano Science Center, Tehran (Iran, Islamic Republic of); Fazli, Yousef [Islamic Azad University, Department of Chemistry, Faculty of Science, Arak Branch, Arak (Iran, Islamic Republic of); Mohammad-Zadeh, Mohammad [Sabzevar University of Medical Sciences, Department of Physiology and Pharmacology, School of Medicine, Sabzevar (Iran, Islamic Republic of)

    2015-06-15

    Europium (III) molybdate nano-plates were synthesized in this work via chemical precipitation route involving adding of europium (III) ion solution to the aqueous solution of molybdate reagent. Effects of some reaction variables such as concentrations of europium and molybdate ions, flow rate of europium reagent, and reactor temperature on the diameter of the synthesized europium (III) molybdate nano-plates were experimentally investigated by orthogonal array design. The results showed that the size of europium (III) molybdate nano-plates can be optimized by adjusting the concentrations of europium (III) and molybdate ions, as well as the reactional temperature. Europium (III) molybdate nano-plates prepared under the optimum conditions were characterized by X-ray powder diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. (orig.)

  18. Chemical Processing and Characterization of Fiber Reinforced Nanocomposite Silica Materials

    Science.gov (United States)

    Burnett, Steven Shannon

    Ultrasound techniques, acoustic and electroacoustic spectroscopy, are used to investigate and characterize concentrated fluid phase nanocomposites. In particular, the data obtained from ultrasound methods are used as tools to improve the understanding of the fundamental process chemistry of concentrated, multicomponent, nanomaterial dispersions. Silicon nitride nanofibers embedded in silica are particularly interesting for lightweight nanocomposites, because silicon nitride is isostructural to carbon nitride, a super hard material. However, the major challenge with processing these composites is retarding particle-particle aggregation, to maintain highly dispersed systems. Therefore, a systematic approach was developed to evaluate the affect of process parameters on particle-particle aggregation, and improving the chemical kinetics for gelation. From the acoustic analysis of the nanofibers, this thesis was able to deduce that changes in aspect ratio affects the ultrasound propagation. In particular, higher aspect ratio fibers attenuate the ultrasound wave greater than lower aspect fibers of the same material. Furthermore, our results confirm that changes in attenuation depend on the hydrodynamical interactions between particles, the aspect ratio, and the morphology of the dispersant. The results indicate that the attenuation is greater for fumed silica due to its elastic nature and its size, when compared to silica Ludox. Namely, the larger the size, the greater the attenuation. This attenuation is mostly the result of scattering loss in the higher frequency range. In addition, the silica nanofibers exhibit greater attenuation than their nanoparticle counterparts because of their aspect ratio influences their interaction with the ultrasound wave. In addition, this study observed how 3M NH 4 Cl's acoustic properties changes during the gelation process, and during that change, the frequency dependency deviates from the expected squared of the frequency, until the

  19. Characterization, reproduction and optimization of traditional adobe bricks

    Science.gov (United States)

    Ioannou, Ioannis; Eftychiou, Marina; Costi de Castrillo, Maria; Illampas, Rogiros

    2013-04-01

    Adobe bricks were first introduced 10-12,000 years ago. Extensive use of the material throughout the centuries has led to strong local traditions of building with earth and has established adobe masonry as an important feature of the international architectural heritage. Today, despite no longer being a prevalent building material, adobes are still in use, since a number of earthen structures survive worldwide. Furthermore, the simplicity, low cost and almost negligible embodied energy associated with the production of adobes, as well as their good thermal and acoustic properties, render them an attractive option for use in contemporary sustainable construction. Therefore, several ongoing research projects internationally investigate the physicochemical and mechanical properties of traditional adobe bricks and the design/production of optimized adobes, with improved characteristics, for use in contemporary architecture. Here, we present ongoing research on adobe bricks carried out in the framework of the project E& IXEIPH EI / POION/0609/41, which is co-funded by the European Regional Development Fund and the Republic of Cyprus, through the Cyprus Research Promotion Foundation. Our work focuses on the characterization of traditional adobes, their reproduction and optimization in the laboratory to produce materials with improved physicomechanical properties. Results up-to-date show that traditional adobes are mostly composed of random quantities of silt and clay. Calcite is also predominant in relevant X-ray diffraction analyses. The average capillary water absorption coefficient (measured against a saturated sponge surface) of samples collected from market suppliers rarely exceeds 1 mm/min1 -2, while their thermal conductivity is around 0.55 W/mK. The response of traditional adobes to compression is characterized by intense deformability. The average compressive strength recorded depends on the form of test specimen (cube, cylinder, prism). Samples with aspect

  20. Magnetically assisted chemical separation (MACS) process: Preparation and optimization of particles for removal of transuranic elements

    Energy Technology Data Exchange (ETDEWEB)

    Nunez, L.; Kaminski, M.; Bradley, C.; Buchholz, B.A.; Aase, S.B.; Tuazon, H.E.; Vandegrift, G.F. [Argonne National Lab., IL (United States); Landsberger, S. [Univ. of Illinois, Urbana, IL (United States)

    1995-05-01

    The Magnetically Assisted Chemical Separation (MACS) process combines the selectivity afforded by solvent extractants with magnetic separation by using specially coated magnetic particles to provide a more efficient chemical separation of transuranic (TRU) elements, other radionuclides, and heavy metals from waste streams. Development of the MACS process uses chemical and physical techniques to elucidate the properties of particle coatings and the extent of radiolytic and chemical damage to the particles, and to optimize the stages of loading, extraction, and particle regeneration. This report describes the development of a separation process for TRU elements from various high-level waste streams. Polymer-coated ferromagnetic particles with an adsorbed layer of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) diluted with tributyl phosphate (TBP) were evaluated for use in the separation and recovery of americium and plutonium from nuclear waste solutions. Due to their chemical nature, these extractants selectively complex americium and plutonium contaminants onto the particles, which can then be recovered from the solution by using a magnet. The partition coefficients were larger than those expected based on liquid[liquid extractions, and the extraction proceeded with rapid kinetics. Extractants were stripped from the particles with alcohols and 400-fold volume reductions were achieved. Particles were more sensitive to acid hydrolysis than to radiolysis. Overall, the optimization of a suitable NMCS particle for TRU separation was achieved under simulant conditions, and a MACS unit is currently being designed for an in-lab demonstration.

  1. Microencapsulation of phosphogypsum into a sulfur polymer matrix: physico-chemical and radiological characterization.

    Science.gov (United States)

    López, Félix A; Gázquez, Manuel; Alguacil, Francisco José; Bolívar, Juan Pedro; García-Díaz, Irene; López-Coto, Israel

    2011-08-15

    The aim of this work is to prepare a new type of phosphogypsum-sulfur polymer cements (PG-SPC) to be utilised in the manufacture of building materials. Physico-chemical and radiological characterization was performed in phosphogypsum and phosphogypsum-sulfur polymer concretes and modeling of exhalation rates has been also carried out. An optimized mixture of the materials was obtained, the solidified material with optimal mixture (sulfur/phosphogypsum=1:0.9, phosphogypsum dosage=10-40 wt.%) results in highest strength (54-62 MPa) and low total porosity (2.8-6.8%). The activity concentration index (I) in the PG-SPC is lower than the reference value in the most international regulations and; therefore, these cements can be used without radiological restrictions in the manufacture of building materials. Under normal conditions of ventilation, the contribution to the expected radon indoor concentration in a standard room is below the international recommendations, so the building materials studied in this work can be applied to houses built up under normal ventilation conditions. Additionally, and taking into account that the PG is enriched in several natural radionuclides as (226)Ra, the leaching experiments have demonstrated that environmental impact of the using of SPCs cements with PG is negligible.

  2. Thermoeconomic Evaluation of a Basic Optimized Chemically Recuperated Gas Turbine Cycle

    Directory of Open Access Journals (Sweden)

    Silvia Azucena Nebra

    2003-03-01

    Full Text Available In a thermoeconomic analysis, the productive structure determines the cost distribution. A chemically recuperated gas turbine cycle, optimized in order to reduce the production of irreversibilities, is analyzed using to thermoeconomic techniques. The exergy flows are disaggregated into chemical and physical exergies. The internal cost distribution is compared in three types of analyses: the Basic approach, the Functional Analysis approach and the Functional Analysis with Cost Negentropy Redistribution approach. The negentropy cost redistribution reduces the cogeneration cost, changing the exergetic costs through the cycle by about 1%.

  3. Physico-chemical characterization of nano-emulsions in cosmetic matrix enriched on omega-3

    Directory of Open Access Journals (Sweden)

    Linder Michel

    2011-09-01

    Full Text Available Abstract Background Nano-emulsions, as non-equilibrium systems, present characteristics and properties which depend not only on composition but also on their method of preparation. To obtain better penetration, nanocosmeceuticals use nano-sized systems for the delivery of active ingredients to targeted cells. In this work, nano-emulsions composed of miglyol, rapeseed oil and salmon oil were developed as a cosmetic matrix. Measurements of different physico-chemical properties of nano-emulsions were taken according to size, electrophoretic mobility, conductivity, viscosity, turbidity, cristallization and melting point. The RHLB was calculated for each formulation in order to achieve maximum stability. Results Both tween 80 and soya lecithin were found to stabilize formulations. The results showed that rapeseed oil and miglyol are the predominant parameters for determining the expression of results concerning the characterization of emulsion. Based on the mixture design, we achieved the optimal point using the following formulation: 56.5% rapessed oil, 35.5% miglyol, and 8% salmon oil. We considered this formulation to be the best as a nanocosmeceutical product due to the small size, good turbidity, and average HLB. Conclusions This study demonstrates the influence of formulation on the physico-chemical properties of each nano-emulsion obtained by the mixture design.

  4. Geostatistical sampling optimization and waste characterization of contaminated premises

    Energy Technology Data Exchange (ETDEWEB)

    Desnoyers, Y.; Jeannee, N. [GEOVARIANCES, 49bis avenue Franklin Roosevelt, BP91, Avon, 77212 (France); Chiles, J.P. [Centre de geostatistique, Ecole des Mines de Paris (France); Dubot, D. [CEA DSV/FAR/USLT/SPRE/SAS (France); Lamadie, F. [CEA DEN/VRH/DTEC/SDTC/LTM (France)

    2009-06-15

    At the end of process equipment dismantling, the complete decontamination of nuclear facilities requires a radiological assessment of the building structure residual activity. From this point of view, the set up of an appropriate evaluation methodology is of crucial importance. The radiological characterization of contaminated premises can be divided into three steps. First, the most exhaustive facility analysis provides historical and qualitative information. Then, a systematic (exhaustive) control of the emergent signal is commonly performed using in situ measurement methods such as surface controls combined with in situ gamma spectrometry. Finally, in order to assess the contamination depth, samples are collected at several locations within the premises and analyzed. Combined with historical information and emergent signal maps, such data allow the definition of a preliminary waste zoning. The exhaustive control of the emergent signal with surface measurements usually leads to inaccurate estimates, because of several factors: varying position of the measuring device, subtraction of an estimate of the background signal, etc. In order to provide reliable estimates while avoiding supplementary investigation costs, there is therefore a crucial need for sampling optimization methods together with appropriate data processing techniques. The initial activity usually presents a spatial continuity within the premises, with preferential contamination of specific areas or existence of activity gradients. Taking into account this spatial continuity is essential to avoid bias while setting up the sampling plan. In such a case, Geostatistics provides methods that integrate the contamination spatial structure. After the characterization of this spatial structure, most probable estimates of the surface activity at un-sampled locations can be derived using kriging techniques. Variants of these techniques also give access to estimates of the uncertainty associated to the spatial

  5. Biochemical Characterization of Tunisian Cichorium Intybus L. Roots and Optimization of Ultrasonic Inulin Extraction

    Directory of Open Access Journals (Sweden)

    Youkabed Ouederni Zarroug

    2016-11-01

    Full Text Available In this study Cichorium intybus L. roots were tested for its chemical composition, antioxidant activity, and phenolic profile. Optimization of ultrasonic inulin extraction using response surface methodology (RSM was further investigated. Chicory roots were found to have high value of total carbohydrates (70.43%, soluble fiber (66.93, Neutral detergent fiber (NDF (33.07%, potassium (380 mg/100g, calcium (540 mg/100g and sodium (140 mg/100g. Chicory roots exhibit a high content of flavonoids, polyphenols, and tannins. Antioxidant activity measurement reveals the capacity of Chicory roots to scavenge diphenylpicrylhydrazyl (DPPH radicals. Phenolic acids profile shows the abundance of vanillic acid (19.64% followed by protocatechuic acid (15.67%. The effect of three independent variables namely extraction time, the ratio of water to raw material and temperature on inulin extraction was studied. Optimum deciding responses were Inulin content, Total Soluble Solids (TSS content and Water produced inulin yield. The optimal ultrasonic extraction conditions were: extraction time 87 min, liquid to solid ratio 38 (ml/g and ultrasonic temperature 61 ̊ C. Under these conditions, the inulin content, TSS content and produced inulin yield were 35.92%, 24.72%, and 32.53%, respectively. The produced inulin was characterized by the Fourier infrared transformation (FTIR and observed by means of scanning electron microscopy (SEM.  

  6. Optimization, characterization, sulfation and antitumor activity of neutral polysaccharides from the fruit of Borojoa sorbilis cuter.

    Science.gov (United States)

    Xu, Fangfang; Liao, Kangsheng; Wu, Yunshan; Pan, Qi; Wu, Lilan; Jiao, Hong; Guo, Dean; Li, Ben; Liu, Bo

    2016-10-20

    Extraction optimization, purification, characterization, sulfation and antitumor activity of polysaccharides from the fruit body of Borojoa sorbilis cuter were investigated in present study. The optimal Ultrahigh Pressure extraction condition was determined as: extraction once with the solid-liquid ratio of 1:10 in 30°C and 1500Mpa for crude polysaccharide (BP) and experimental yield was 8.28%. Four water-soluble polysaccharides named as BP1-1, BP1-2, BP1-3 and BP1-4, with molecular weight of 35.8, 32.4, 30.1 and 27.7kDa, were purified by DEAE Sepharose and Superdex 200 chromatography. On the basis of chemical and spectroscopic analyses, BP1-1-BP1-4 were found to be neutral β-d-galactan containing a (1→4)-linked backbone. S-BP1s with the DSS of 1.18, was sulfated by chloro-sulfonic acid-pyridine method. Furthermore, S-BP1s exhibited significant in vitro antitumor activity against liver cancer HepG2 and lung cancer A549 cells in a dose-dependent manner. The results indicated that S-BP1s could be potentially developed as functional antitumor drug.

  7. Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods.

    Science.gov (United States)

    Suleimanov, Yury V; Green, William H

    2015-09-08

    We present a simple protocol which allows fully automated discovery of elementary chemical reaction steps using in cooperation double- and single-ended transition-state optimization algorithms--the freezing string and Berny optimization methods, respectively. To demonstrate the utility of the proposed approach, the reactivity of several single-molecule systems of combustion and atmospheric chemistry importance is investigated. The proposed algorithm allowed us to detect without any human intervention not only "known" reaction pathways, manually detected in the previous studies, but also new, previously "unknown", reaction pathways which involve significant atom rearrangements. We believe that applying such a systematic approach to elementary reaction path finding will greatly accelerate the discovery of new chemistry and will lead to more accurate computer simulations of various chemical processes.

  8. Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods

    CERN Document Server

    Suleimanov, Yury V

    2015-01-01

    We present a simple protocol which allows fully automated discovery of elementary chemical reaction steps using in cooperation single- and double-ended transition-state optimization algorithms - the freezing string and Berny optimization methods, respectively. To demonstrate the utility of the proposed approach, the reactivity of several systems of combustion and atmospheric chemistry importance is investigated. The proposed algorithm allowed us to detect without any human intervention not only "known" reaction pathways, manually detected in the previous studies, but also new, previously "unknown", reaction pathways which involve significant atom rearrangements. We believe that applying such a systematic approach to elementary reaction path finding will greatly accelerate the possibility of discovery of new chemistry and will lead to more accurate computer simulations of various chemical processes.

  9. Optimizing operating conditions and electrochemical characterization of glucose-gluconate alkaline fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Pasta, M. [Universita degli Studi di Milano, Dipartimento di Chimica Inorganica, Metallorganica e Analitica ' ' Lamberto Malatesta' ' , Via Venezian 21, 20133 Milano (Italy); Department of Material Science and Engineering, Stanford University, Stanford, CA 94305 (United States); La Mantia, F. [Department of Material Science and Engineering, Stanford University, Stanford, CA 94305 (United States); Ruffo, R.; Mari, C.M. [Universita degli Studi di Milano-Bicocca, Dipartmento di Scienza dei Materiali, Via Cozzi 53, 20125 Milano (Italy); Peri, F. [Universita degli Studi di Milano-Bicocca, Dipartimento di Biotecnologia e Bioscienze, P.zza della Scienza 2, 20126 Milano (Italy); Pina, C. Della [Universita degli Studi di Milano, Dipartimento di Chimica Inorganica, Metallorganica e Analitica ' ' Lamberto Malatesta' ' , Via Venezian 21, 20133 Milano (Italy)

    2011-02-01

    The direct oxidation of glucose to produce electrical energy has been widely investigated because of renewability, abundance, high energy density and easy handling of the carbohydrate. Most of the previous studies have been conducted in extreme conditions in order to achieve complete glucose oxidation to CO{sub 2}, neglecting the carbohydrate chemical instability that generally leads to useless by-products mixtures. The partial oxidation to gluconate, originally studied for implantable fuel cells, has the advantage of generating a commercially valuable chemical. In the present paper we optimized fuel composition and operating conditions in order to selectively oxidize glucose to gluconate, maximizing the power density output of a standard commercial platinum based anode material. A deep electrochemical characterization concerning reversible potential, cyclic voltammetry and overpotential measurements have been carried out at 25 C in the D-(+)-glucose concentration range 1.0 x 10{sup -2} to 1.0 M. NMR and EIS investigation clarify the role of the buffer in enhancing the electrochemical performance. (author)

  10. Influence of Design Margin on Operation Optimization and Control Performance of Chemical Processes

    Institute of Scientific and Technical Information of China (English)

    许锋; 蒋慧蓉; 王锐; 罗雄麟

    2014-01-01

    Operation optimization is an effective method to explore potential economic benefits for existing plants. The maximum potential benefit from operation optimization is determined by the distances between current operat-ing point and process constraints, which is related to the margins of design variables. Because of various distur-bances in chemical processes, some distances must be reserved for fluctuations of process variables and the opti-mum operating point is not on some process constraints. Thus the benefit of steady-state optimization can not be fully achieved while that of dynamic optimization can be really achieved. In this study, the steady-state optimization and dynamic optimization are used, and the potential benefit is divided into achievable benefit for profit and un-achievable benefit for control. The fluid catalytic cracking unit (FCCU) is used for case study. With the analysis on how the margins of design variables influence the economic benefit and control performance, the bottlenecks of process design are found and appropriate control structure can be selected.

  11. A robust algorithm for optimizing protein structures with NMR chemical shifts.

    Science.gov (United States)

    Berjanskii, Mark; Arndt, David; Liang, Yongjie; Wishart, David S

    2015-11-01

    Over the past decade, a number of methods have been developed to determine the approximate structure of proteins using minimal NMR experimental information such as chemical shifts alone, sparse NOEs alone or a combination of comparative modeling data and chemical shifts. However, there have been relatively few methods that allow these approximate models to be substantively refined or improved using the available NMR chemical shift data. Here, we present a novel method, called Chemical Shift driven Genetic Algorithm for biased Molecular Dynamics (CS-GAMDy), for the robust optimization of protein structures using experimental NMR chemical shifts. The method incorporates knowledge-based scoring functions and structural information derived from NMR chemical shifts via a unique combination of multi-objective MD biasing, a genetic algorithm, and the widely used XPLOR molecular modelling language. Using this approach, we demonstrate that CS-GAMDy is able to refine and/or fold models that are as much as 10 Å (RMSD) away from the correct structure using only NMR chemical shift data. CS-GAMDy is also able to refine of a wide range of approximate or mildly erroneous protein structures to more closely match the known/correct structure and the known/correct chemical shifts. We believe CS-GAMDy will allow protein models generated by sparse restraint or chemical-shift-only methods to achieve sufficiently high quality to be considered fully refined and "PDB worthy". The CS-GAMDy algorithm is explained in detail and its performance is compared over a range of refinement scenarios with several commonly used protein structure refinement protocols. The program has been designed to be easily installed and easily used and is available at http://www.gamdy.ca.

  12. Physical-Chemical Characterization of Nanodispersed Powders Produced by a Plasma-Chemical Technique

    Institute of Scientific and Technical Information of China (English)

    M. GEORGIEVA; G. VISSOKOV; Iv. GRANCHAROV

    2007-01-01

    This article presents a review on the physical-chemical properties and characteristics of plasma-chemically produced nanodispersed powders (NDP), such as metals, oxides, nitrides, carbides, and catalysts. The plasma-chemical preparation of the powders was carried out in thermal plasma (TP) created by means of high-current electric arcs, plasma jets, high-frequency (HF) discharges, etc. We also discuss certain properties and characteristics of the NDPs, which are determined largely by the conditions of preparation.

  13. Physical and chemical characterization of Dead Sea mud

    Energy Technology Data Exchange (ETDEWEB)

    Khlaifat, Abdelaziz, E-mail: abdelaziz.khlaifat@me.weatherford.com [Weatherford Oil Tool Middle East Ltd., P.O. Box 4627, Dubai (United Arab Emirates); Al-Khashman, Omar [Department of Environmental Engineering, Al-Hussein Bin Talal University, Ma' an, P.O. Box 20 (Jordan); Qutob, Hani [Weatherford Oil Tool Middle East Ltd., P.O. Box 4627, Dubai (United Arab Emirates)

    2010-05-15

    A laboratory analysis was performed to determine the physical and chemical properties of 24 Dead Sea mud samples collected from three different locations on the eastern shore of the Dead Sea. Several analytical techniques were used to determine the chemical and mineralogical compositions of those samples including atomic absorption spectrometry and X-ray diffraction. Physical parameters such as specific gravity, Atterberg limits, grain size, specific surface area, cation exchange capacity, pH and electrical conductivity were also studied. The main focus of the work was to document mud characteristics and to study the interrelation between physical and chemical properties. The mud samples were quite rich in minerals. Strontium was the most abundant trace element in the samples (range: 410-810 ppm) followed by barium (range: 155-380 ppm), vanadium (range: 209-264 ppm) and lead (range: 108-114 ppm). There were significant differences in the elemental contents of mud samples collected from different locations.

  14. X-Ray Photoelectron Spectroscopic Characterization of Chemically Modified Electrodes Used as Chemical Sensors and Biosensors: A Review

    Directory of Open Access Journals (Sweden)

    Elio Desimoni

    2015-04-01

    Full Text Available The characterization of chemically modified sensors and biosensors is commonly performed by cyclic voltammetry and electron microscopies, which allow verifying electrode mechanisms and surface morphologies. Among other techniques, X-ray photoelectron spectroscopy (XPS plays a unique role in giving access to qualitative, quantitative/semi-quantitative and speciation information concerning the sensor surface. Nevertheless, XPS remains rather underused in this field. The aim of this paper is to review selected articles which evidence the useful performances of XPS in characterizing the top surface layers of chemically modified sensors and biosensors. A concise introduction to X-ray Photoelectron Spectroscopy gives to the reader the essential background. The application of XPS for characterizing sensors suitable for food and environmental analysis is highlighted.

  15. Chemical characterization of Phoma pomorum isolated from Danish maize

    DEFF Research Database (Denmark)

    Sørensen, Jens Laurids; Aveskamp, M.M.; Thrane, Ulf;

    2010-01-01

    the Danish A pomorum strains with representative P. pomorum strains isolated from other sources. The metabolite production on dichloran Rose Bengal yeast extract sucrose agar (DRYES) was analyzed and the strains were clustered using an in-house Chemical Image Analysis (CIA) program. The resulting tree showed...

  16. Optimal depletion of exhaustible resources: existence and characterization results

    Energy Technology Data Exchange (ETDEWEB)

    Mitra, T.

    1980-09-01

    A model of intertemporal allocation is considered in which there is a produced good (which can be used for consumption or for further production), and an exhaustible resource (which is essential for production), the total initial stock of which is given. The use of the resource over the (infinite) planning horizon must not exceed this available stock. A planner is assumed to evaluate consumption in each period, in terms of a utility function, and to maximize the undiscounted sum of these one-period utilities, to obtain, simultaneously, the optimal depletion of the exhaustible resource, and the optimal investment pattern. 20 references.

  17. Polarization-sensitive multispectral tissue characterization for optimizing intestinal anastomosis

    Science.gov (United States)

    Cha, Jaepyeong; Triana, Brian; Shademan, Azad; Krieger, Axel; Kim, Peter C. W.; Kang, Jin U.

    2014-03-01

    A novel imaging system that recommends potential suture placement for anastomosis to surgeons is developed. This is achieved by a multispectral imaging system coupled with polarizers and image analysis software. We performed preliminary imaging of ex vivo porcine intestine to evaluate the system. Vulnerable tissue regions including blood vessels were successfully identified and segmented. Thickness of different tissue areas is visualized. Strategies towards optimal points for suture placements have been discussed. Preliminary data suggest our imaging platform and analysis algorithm may be useful in avoiding blood vessels, identifying optimal regions for suture placements to perform safer operations in possibly reduced time.

  18. Hanford enhanced waste glass characterization. Influence of composition on chemical durability

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Edwards, T. B. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-06-01

    This report provides a review of the complete high-level waste (HLW) and low-activity waste (LAW) data sets for the glasses recently fabricated at Pacific Northwest National Laboratory and characterized at Savannah River National Laboratory (SRNL). The review is from the perspective of relating the chemical durability performance to the compositions of these study glasses, since the characterization work at SRNL focused on chemical analysis and ASTM Product Consistency Test (PCT) performance.

  19. Chemical Synthesis and Electrochemical Characterization of Nanoporous Gold films

    DEFF Research Database (Denmark)

    Christiansen, Mikkel U-B; Seselj, Nedjeljko; Engelbrekt, Christian

    Nanoporous gold (NPG) is conventionally made via dealloying methods1. We present an alternative method for bottom-up chemical synthesis of nanoporous gold film (cNPGF), with properties resembling those of dealloyed NPG. The developed procedure is simple and only benign chemicals are used....... Chloroauric acid is reduced to nanoparticles (NPs) by 2-(N-morpholino)ethanesulfonate, acting also as a protecting agent for the NPs and as a pH buffer, while potassium chloride is used to control ionic strength. The film formation is controlled by parameters such as temperature, ionic strength...... and protonation of the buffer. Therefore, it is possible to influence the trapping of nanoparticles at the air-liquid interface, yielding porous thin film structures, Figure 1A. The produced cNPGFs have been investigated by atomic force microscopy (AFM), transmission electron microscopy (TEM) and cyclic...

  20. Physical and Chemical Characterization of Carbonaceous Aerosols in Korea

    Science.gov (United States)

    Choung, S.; Jin, J. S.; Hwang, G. S.; Jang, K. S.; Han, W. S.; OH, J.; Kwon, Y.

    2014-12-01

    Atmospheric aerosols have been recently paid attention more in environmental research due to their negative effects on air quality, public health, and climate change. The aerosols contain approximately >20-50% carbonaceous components such as organic carbon (OC) and black carbon (BC) (or elemental carbon [EC]) derived from organic compounds, biomass burning, and incomplete combustion of fossil fuels. The physical, chemical, and biological properties of atmospheric aerosols are strongly dependent on the carbonaceous components. In particular, the BC could significantly affect the regional air quality in the northeastern Asia, because China is one of the foremost BC emission country in the world. Previous studies have mainly focused on the quantification and source identification for carbonaceous aerosols. However, understanding of physical and chemical properties for the carbonaceous aerosols related to environmental contamination and toxicity was still incomplete due to analytical difficulties. This study is addressed to evaluate the contribution of carbonaceous aerosols to air pollution through the surface, mass spectroscopic, and electron microscopic analyses, and determination of chemical composition and structure using the air particulate matter (PM2.5 and >PM2.5) samples.

  1. [Chemical-nutritional characterization of the moss Spagnum magellanicum].

    Science.gov (United States)

    Villarroel, Mario; Biolley, Edith; Yáñez, Enrique; Peralta, Rosario

    2002-12-01

    The goal of the present study was to know the chemical characteristics of the moss Sphagnum magellanicum (S.M.) growing in the southern part of Chile, spreading approximately. in a geographic area of 500.000 Has. Very few antecedents are reported in the literature concerning the functional properties of this resource, with the exception of the water absorption and holding capacity. Many of the industrial or agricultural uses of this moss are strongly related with this characteristic. Looking for other alternatives of utilization, it has been planned its incorporation to staple foods as a source of dietary fiber. But first it is necessary to know its chemical characteristics Representative samples of this material were submitted to different chemical analysis such as proximal analysis, fractional fiber analysis and anti nutrient factors.. Results of those analysis show the high amount of dietary fiber founded in this resource (77%), higher than reported data for other traditional fiber sources such as lupin bran, rice hull, barley hull, oat bran, etc. Finally it is important emphasize the absence of antinutrient factor in this moss, that could make feasible its use for human nutrition.

  2. Linear variable filter optimization for emergency response chemical detection and discrimination

    Science.gov (United States)

    Shen, Sylvia S.; Lewis, Paul E.

    2010-08-01

    Linear variable filter design and fabrication for LWIR is now commercially available for use in the development of remote sensing systems. The linear variable filter is attached directly to the cold shield of the focal plane array. The resulting compact spectrometer assemblies are completely contained in the Dewar system. This approach eliminates many of the wavelength calibration problems associated with current prism and grating systems and also facilitates the cost effective design and fabrication of aerial sensing systems for specific applications. This paper describes a study that was conducted with the following three objectives: 1) Determine if a multi-channel linear-variable-filter-based line scanner system can be used to discriminate a set of chemical vapors that represent a high probability of occurrence during a typical emergency response chemical incident; 2) Determine which multi-channel linear variable filter design is optimal; and 3) Determine the acceptable instrument noise equivalent spectral radiance for this application. A companion paper describes a separate study that was conducted to determine the concentration levels at which detection and discrimination can be achieved for the various chemicals based on the optimal filter design under various degrees of imperfect atmospheric correction.

  3. Characterization and prediction of chemical functions and weight fractions in consumer products

    Directory of Open Access Journals (Sweden)

    Kristin K. Isaacs

    2016-01-01

    Full Text Available Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chemicals from public sources and used a clustering algorithm to assign chemicals into 35 harmonized function categories (e.g., plasticizers, antimicrobials, solvents. We combined these functions with weight fraction data for 4115 personal care products (PCPs to characterize the composition of 66 different product categories (e.g., shampoos. We analyzed the combined weight fraction/function dataset using machine learning techniques to develop quantitative structure property relationship (QSPR classifier models for 22 functions and for weight fraction, based on chemical-specific descriptors (including chemical properties. We applied these classifier models to a library of 10196 data-poor chemicals. Our predictions of chemical function and composition will inform exposure-based screening of chemicals in PCPs for combination with hazard data in risk-based evaluation frameworks. As new information becomes available, this approach can be applied to other classes of products and the chemicals they contain in order to provide essential consumer product data for use in exposure-based chemical prioritization.

  4. Optimal Experiment Design for Thermal Characterization of Functionally Graded Materials

    Science.gov (United States)

    Cole, Kevin D.

    2003-01-01

    The purpose of the project was to investigate methods to accurately verify that designed , materials meet thermal specifications. The project involved heat transfer calculations and optimization studies, and no laboratory experiments were performed. One part of the research involved study of materials in which conduction heat transfer predominates. Results include techniques to choose among several experimental designs, and protocols for determining the optimum experimental conditions for determination of thermal properties. Metal foam materials were also studied in which both conduction and radiation heat transfer are present. Results of this work include procedures to optimize the design of experiments to accurately measure both conductive and radiative thermal properties. Detailed results in the form of three journal papers have been appended to this report.

  5. Characterization, Modeling, and Optimization of Light-Emitting Diode System

    DEFF Research Database (Denmark)

    Thorseth, Anders

    . It is shown that the droop in quantum efficiency can be approximated by a simple parabolic function. The investigated models of the spectral power distributions (SPD) from LEDs are the strictly empirical single and double Gaussian functions, and a semi empirical model using quasi Fermi levels and other basic...... solid state principles. The models are fitted to measured SPDs, using the free parameters. The result show a high correlation between the measured LED SPD and the fitted models. When comparing the chromaticity of the measured SPD with fitted models, the deviation is found to be larger than the lower...... limit of human color perception. A method has been developed to optimize multicolored cluster LED systems with respect to light quality, using multi objective optimization. The results are simulated SPDs similar to traditional light sources, and with high light quality. As part of this work...

  6. Optimization and Characterization of CMOS for Ultra Low Power Applications

    Directory of Open Access Journals (Sweden)

    Mohd. Ajmal Kafeel

    2015-01-01

    Full Text Available Aggressive voltage scaling into the subthreshold operating region holds great promise for applications with strict energy budget. However, it has been established that higher speed superthreshold device is not suitable for moderate performance subthreshold circuits. The design constraint for selecting Vth and TOX is much more flexible for subthreshold circuits at low voltage level than superthreshold circuits. In order to obtain better performance from a device under subthreshold conditions, it is necessary to investigate and optimize the process and geometry parameters of a Si MOSFET at nanometer technology node. This paper calibrates the fabrication process parameters and electrical characteristics for n- and p-MOSFETs with 35 nm physical gate length. Thereafter, the calibrated device for superthreshold application is optimized for better performance under subthreshold conditions using TCAD simulation. The device simulated in this work shows 9.89% improvement in subthreshold slope and 34% advantage in ION/IOFF ratio for the same drive current.

  7. Chemical Characterization of Compounds Released by Marine Mammals.

    Science.gov (United States)

    1983-08-01

    W:.. CHEMICAL ANALYSIS . MATERIALS AND MODS One sample of urine and four of semen ( sperm and/or seminal fluid) were obtained from a male Atlantic...Analysis: Seminal Plasma and Prostatic Fluid Compositions and their Interrelations with Sperm Quality, Int J Fertil, vol 22(3), p 140-147, 1977 4o 43...Ahluwalia, B and Holman, RT, Fatty Acid Composition of Lipids of Bull, Boar , Rabbit and Human Semen, J Reprod Fert, vol 18, p 431-437, 1969 64. Glenn

  8. Physical and Chemical Characterization of Poly(hexamethylene biguanide Hydrochloride

    Directory of Open Access Journals (Sweden)

    Luiz Henrique C. Mattoso

    2011-06-01

    Full Text Available We present the characterization of commercially available Poly(hexamethylene biguanide hydrochloride (PHMB, a polymer with biocidal activity and several interesting properties that make this material suitable as a building block for supramolecular chemistry and “smart” materials. We studied polymer structure in water solution by dynamic light scattering, surface tension and capacitance spectroscopy. It shows typical surfactant behavior due to amphiphilic structure and low molecular weight. Spectroscopic (UV/Vis, FT-NIR and thermal characterization (differential scanning calorimetry, DSC, and thermogravimetric analysis, TGA were performed to give additional insight into the material structure in solution and solid state. These results can be the foundation for more detailed investigations on usefulness of PHMB in new complex materials and devices.

  9. Phase Characterization of Cucumber Growth: A Chemical Gel Model

    Directory of Open Access Journals (Sweden)

    Bo Li

    2016-01-01

    Full Text Available Cucumber grows with complex phenomena by changing its volume and shape, which is not fully investigated and challenges agriculture and food safety industry. In order to understand the mechanism and to characterize the growth process, the cucumber is modeled as a hydrogel in swelling and its development is studied in both preharvest and postharvest stages. Based on thermodynamics, constitutive equations, incorporating biological quantities, are established. The growth behavior of cucumber follows the classic theory of continuous or discontinuous phase transition. The mechanism of bulged tail in cucumber is interpreted by phase coexistence and characterized by critical conditions. Conclusions are given for advances in food engineering and novel fabrication techniques in mechanical biology.

  10. Moessbauer spectroscopic, chemical and mineralogical characterization of Iberian Pottery

    OpenAIRE

    Ruíz García, Casilda

    1985-01-01

    Characterization of andent pottery is threefold: the provenance of the clay, non-plastics added and firing technology (kiln atmosphere and associated thermal cycle). Very often sherds of different provenance have similar appearance although, conversely, different manufacturing techniques can produce a wide variety of pottery from the sanle clay. Therefore a classification of the sherds based solely upan macroscopic and stylistic grounds could lead to serious mistakes. Physicoch...

  11. Chemical and Molecular Characterization of Biofilm on Metal Surfaces

    Digital Repository Service at National Institute of Oceanography (India)

    Bhosle, N.B.

    and Molecular Characterization of Biofilm on Metal Surfaces Narayan B Bhosle Marine Corrosion and Material Research Division, National Institute of Oceanography,Dona Paula 403004, Goa, India Sonak and Bhosle, 1995). As compared to this a few researchers have... discontinuous film with variable thickness (Compere et al., 2001). A number of compounds such as glycoproteins (Baier, 1980), humic material (Loeb and Neihof, 1975) and/or unspecified macromolecules (Zaidi et al., 1984) are involved in the development...

  12. Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins.

    Science.gov (United States)

    Liu, Jinfeng; Zhang, John Z H; He, Xiao

    2016-01-21

    Geometry optimization and vibrational spectra (infrared and Raman spectra) calculations of proteins are carried out by a quantum chemical approach using the EE-GMFCC (electrostatically embedded generalized molecular fractionation with conjugate caps) method (J. Phys. Chem. A, 2013, 117, 7149). The first and second derivatives of the EE-GMFCC energy are derived and employed in geometry optimization and vibrational frequency calculations for several test systems, including a polypeptide ((GLY)6), an α-helix (AKA), a β-sheet (Trpzip2) and ubiquitin (76 residues with 1231 atoms). Comparison of the present results with those obtained from full system QM (quantum mechanical) calculations shows that the EE-GMFCC approach can give accurate molecular geometries, vibrational frequencies and vibrational intensities. The EE-GMFCC method is also employed to simulate the amide I vibration of proteins, which has been widely used for the analysis of peptide and protein structures, and the results are in good agreement with the experimental observations.

  13. Optimizing the Chemical Compositions of Protective Agents for Freeze-drying Bifidobacterium longum BIOMA 5920

    Institute of Scientific and Technical Information of China (English)

    杨婵媛; 朱晓丽; 范代娣; 米钰; 骆艳娥; 惠俊峰; 苏然

    2012-01-01

    Freeze drying has a deleterious effect on the viability of microorganisms. In front of this difficulty, the present study adopts response surface methodology to optimize the chemical compositions of protective agents to seek for maximum viability of Bifidobacterium longum BIOMA 5920 during freeze-drying. Through the compara- tive analysis of single protectant, the complex protective agents show better effect on the Bifidobacterium viability. Human-like collagen (HLC), trehalose and glycerol are confirmed as significant factors by Box-Behnken Design. The optimized formula for these three variables is tested as follows: HLC 1.23%, trehalose 11.50% and glycerol 4.65%. Under this formula, the viability is 88.23%, 39.67% higher in comparison to the control. The viable count is 1.07×10 9 cfu·g-1 , greatly exceeding the minimum viable count requirement (10 6 cfu·g-1 ).

  14. Chemical and Pyrolytic Thermogravimetric Characterization of Nigerian Bituminous Coals

    Directory of Open Access Journals (Sweden)

    Nyakuma Bemgba Bevan

    2016-12-01

    Full Text Available The discovery of new coal deposits in Nigeria presents solutions for nation’s energy crises and prospects for socioeconomic growth and sustainable development. Furthermore, the quest for sustainable energy to limit global warming, climate change, and environmental degradation has necessitated the exploration of alternatives using cleaner technologies such as coal pyrolysis. However, a lack of comprehensive data on physico-chemical and thermal properties of Nigerian coals has greatly limited their utilization. Therefore, the physico-chemical properties, rank (classification, and thermal decomposition profiles of two Nigerian bituminous coals – Afuze (AFZ and Shankodi-Jangwa (SKJ – were examined in this study. The results indicate that the coals contain high proportions of C, H, N, S, O and a sufficiently high heating value (HHV for energy conversion. The coal classification revealed that the Afuze (AFZ coal possesses a higher rank, maturity, and coal properties compared to the Shankodi-Jangwa (SKJ coal. A thermal analysis demonstrated that coal pyrolysis in both cases occurred in three stages; drying (30-200 °C, devolatilization (200-600 °C, and char decomposition (600-1000 °C. The results also indicated that pyrolysis at 1000 °C is not sufficient for complete pyrolysis. In general, the thermochemical and pyrolytic fuel properties indicate that the coal from both places can potentially be utilized for future clean energy applications.

  15. Comparison of the 'chemical' and 'structural' approaches to the optimization of the thrombin-binding aptamer.

    Directory of Open Access Journals (Sweden)

    Olga Tatarinova

    Full Text Available Noncanonically structured DNA aptamers to thrombin were examined. Two different approaches were used to improve stability, binding affinity and biological activity of a known thrombin-binding aptamer. These approaches are chemical modification and the addition of a duplex module to the aptamer core structure. Several chemically modified aptamers and the duplex-bearing ones were all studied under the same conditions by a set of widely known and some relatively new methods. A number of the thrombin-binding aptamer analogs have demonstrated improved characteristics. Most importantly, the study allowed us to compare directly the two approaches to aptamer optimization and to analyze their relative advantages and disadvantages as well as their potential in drug design and fundamental studies.

  16. Modified Augmented Lagrange Multiplier Methods for Large-Scale Chemical Process Optimization

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Chemical process optimization can be described as large-scale nonlinear constrained minimization. The modified augmented Lagrange multiplier methods (MALMM) for large-scale nonlinear constrained minimization are studied in this paper. The Lagrange function contains the penalty terms on equality and inequality constraints and the methods can be applied to solve a series of bound constrained sub-problems instead of a series of unconstrained sub-problems. The steps of the methods are examined in full detail. Numerical experiments are made for a variety of problems, from small to very large-scale, which show the stability and effectiveness of the methods in large-scale problems.

  17. Isolation, chemical characterization, and immunomodulatory activity of naturally acetylated hemicelluloses from bamboo shavings* #

    Science.gov (United States)

    Huang, Ju-qing; Qi, Rui-ting; Pang, Mei-rong; Liu, Cong; Li, Guang-yu; Zhang, Ying

    2017-01-01

    Bamboo shavings, the outer or intermediate layer of bamboo stems, are the bulk of by-products produced in bamboo processing. In this study we investigated the isolation, chemical characterization, and immunostimulatory activity in vitro of the hemicelluloses from bamboo shavings. Shavings were first pretreated by steam explosion. The optimal pretreatment was found to be steam explosion at 2.2 MPa for 1 min. Following this pretreatment, the yield of hemicelluloses reached (2.05±0.22)% (based on the dry dewaxed raw materials), which was 5.7-fold higher than that of untreated samples. Bamboo-shavings hemicellulose (BSH) was then prepared by hot water extraction and ethanol precipitation from the steam-exploded shavings. Purification of BSH by anion-exchange chromatography of diethylaminoethanol (DEAE)-sepharose Fast Flow resulted in a neutral fraction (BSH-1, purity of 95.3%, yield of 1.06%) and an acidic fraction (BSH-2, purity of 92.5%, yield of 0.79%). The weight-average molecular weights (M w) of BSH-1 and BSH-2 were 12 800 and 11 300 g/mol, respectively. Chemical and structural analyses by Fourier transform infrared spectroscopy (FT-IR), 1D (1H and 13C) and 2D (heteronuclear single quantum correlation (HSQC)) nuclear magnetic resonance (NMR) spectra revealed that BSH-1 was O-acetylated-arabinoxylan and BSH-2 was O-acetylated-(4-O-methylglucurono)-arabinoxylan. BSH-1 had a higher content of acetyl groups than BSH-2. For the immunomodulatory activity in vitro, BSH and BSH-2 significantly stimulated mouse splenocyte proliferation while BSH-1 had no effect; BSH, BSH-1, and BSH-2 markedly enhanced the phagocytosis activity and nitric oxide production of the murine macrophage RAW264.7 in a dose-dependent manner. Our results suggest that the water-extractable hemicelluloses from steam-exploded bamboo shavings are naturally acetylated and have immunostimulatory activity. PMID:28124842

  18. Isolation, chemical characterization, and immunomodulatory activity of naturally acetylated hemicelluloses from bamboo shavings.

    Science.gov (United States)

    Huang, Ju-Qing; Qi, Rui-Ting; Pang, Mei-Rong; Liu, Cong; Li, Guang-Yu; Zhang, Ying

    Bamboo shavings, the outer or intermediate layer of bamboo stems, are the bulk of by-products produced in bamboo processing. In this study we investigated the isolation, chemical characterization, and immunostimulatory activity in vitro of the hemicelluloses from bamboo shavings. Shavings were first pretreated by steam explosion. The optimal pretreatment was found to be steam explosion at 2.2 MPa for 1 min. Following this pretreatment, the yield of hemicelluloses reached (2.05±0.22)% (based on the dry dewaxed raw materials), which was 5.7-fold higher than that of untreated samples. Bamboo-shavings hemicellulose (BSH) was then prepared by hot water extraction and ethanol precipitation from the steam-exploded shavings. Purification of BSH by anion-exchange chromatography of diethylaminoethanol (DEAE)-sepharose Fast Flow resulted in a neutral fraction (BSH-1, purity of 95.3%, yield of 1.06%) and an acidic fraction (BSH-2, purity of 92.5%, yield of 0.79%). The weight-average molecular weights (Mw) of BSH-1 and BSH-2 were 12 800 and 11 300 g/mol, respectively. Chemical and structural analyses by Fourier transform infrared spectroscopy (FT-IR), 1D ((1)H and (13)C) and 2D (heteronuclear single quantum correlation (HSQC)) nuclear magnetic resonance (NMR) spectra revealed that BSH-1 was O-acetylated-arabinoxylan and BSH-2 was O-acetylated-(4-O-methylglucurono)-arabinoxylan. BSH-1 had a higher content of acetyl groups than BSH-2. For the immunomodulatory activity in vitro, BSH and BSH-2 significantly stimulated mouse splenocyte proliferation while BSH-1 had no effect; BSH, BSH-1, and BSH-2 markedly enhanced the phagocytosis activity and nitric oxide production of the murine macrophage RAW264.7 in a dose-dependent manner. Our results suggest that the water-extractable hemicelluloses from steam-exploded bamboo shavings are naturally acetylated and have immunostimulatory activity.

  19. Hydraulic Behavior and Chemical Characterization of Lapilli as Material for Natural Filtering of Slurry

    Directory of Open Access Journals (Sweden)

    Nereida Falcón-Cardona

    2015-06-01

    Full Text Available Livestock effluents are a beneficial nutrient supply for crops, whereby their use is critical to ensure the sustainability of the farms global management. However, they can cause serious ecological problems if misused, polluting soils and groundwater. Combining “soft technology” and local materials is a low cost solution in terms of finance and energy. The REAGUA project (REuso AGUA, Water reuse in Spanish analyzes the possibility of using “picon” (lapilli as a material for the treatment of liquid manure from ruminants, for later use in subsurface drip irrigation system to produce forage and biofuels, in which the soil acts as a subsequent advanced treatment. A three-phase system, in which the effluent was poured with a vertical subsurface flow in an unsaturated medium, is designed. In order to determine the management conditions that optimize the filter, it was necessary to characterize the hydraulic behavior of lapilli and its ability to remove substances. Using three lapilli-filled columns, unsaturated flux, and a ruminant effluent, the reduction of chemical oxygen demand (COD, biochemical oxygen demand after 5 days (BOD5 and ammonia, phosphorus and suspension solids (SS obtained was over 80%, 90%, and 95% respectively, assumable values for irrigation.

  20. Development of complementary HPLC-DAD/APCI MS methods for chemical characterization of pharmaceutical packaging materials.

    Science.gov (United States)

    Petruševski, V; Jolevska, S T; Ribarska, J T; Chachorovska, M; Petkovska, A; Ugarković, S

    2016-05-30

    The chemical characterization of plastics for pharmaceutical packaging has been subject to ever increasing regulatory scrutiny, the reasons for which being: a) plastic additives and degradation products can be extremely hazardous to the patients' health (especially patients on chronic therapy) and b) they offer no therapeutic or formulatory benefit whatsoever. The last decade has seen the issuing of several books, monographs and guidelines dealing with extractables and leachables, however the amount of scientific work done so far is still fairly small (the majority of it performed by only a few research groups), with only a small number of methods published in the literature. This work focuses on developing a set of two complementary HPLC-DAD/APCI MS methods for simultaneous separation, detection, identification and quantification of a wide variety of packaging additives and degradants, the second method specifically targeting a group of compounds known as polymeric hindered amine light stabilizers (HALS), which are known to be notoriously difficult to separate and analyze with standard analytical techniques. The methods are capable of detecting plastic additives present in low ppb concentrations, from samples extracted in solvents with various polarities and pH values. Both methods were developed and optimized using system suitability mixtures comprised of 9 additives commonly encountered in plastic materials, and their practical applicability tested on a variety of extracts from low-density polyethylene (LDPE) and polypropylene (PP), where several additives were successfully separated, detected and identified.

  1. Buccal mucoadhesive tablets of flurbiprofen: Characterization and optimization.

    Science.gov (United States)

    Darwish, M K; Elmeshad, A N

    2009-08-01

    The aim of this work was to develop and optimize sustained-release mucoadhesive tablets of flurbiprofen. Mucoadhesive polymers used were chitosan as primary polymer and hydroxypropylmethyl celluose, hydroxypropyl cellulose, or sodium carboxymethyl cellulose as secondary polymer. Tablets were evaluated in terms of weight variation, thickness, hardness, friability, swelling, surface pH, in vitro mucoadhesive force, and in vitro release. The compatibility between flurbiprofen and the tablet excipients was confirmed by fourier transfer infrared studies. Both the primary and secondary polymers were found to have synergistic effects on tablet swelling, bioadhesion, and in vitro drug release. Formulations containing sodium carboxymethyl cellulose (F(1)) showed a maximum swelling index of 4.144 after 8 h, maximum mucoadhesive force (0.27 N), and convenient in vitro release over 8 h. D-optimal design was employed to evaluate the effect of the ratio of the primary polymer (X(1)) and the type of secondary polymer (X(2)) on the swelling index after 8 h (Y(1)), drug release after 8 h (Y(2)) and time taken for 30% drug release (Y(3)).

  2. Chemical and mineralogical characterizations of a copper converter slag

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A copper converter slag was examined chemically and mineralogically to determine its existing phases, in particular those containing Co and Cu. The slag consists predominantly of fayalite and magnetite, together with some glass,chalcocite, and metallic copper. Copper is entrapped in the slag mostly as chalcocite and metallic copper, as well as trace copper oxide. There was no indication of any independent Co mineral in the slag, but Co was found to be enriched in fayalite and megnetite as solid solution, although Co was detected in all the phases of the slag by SEM-EDX (scanning electron microscopy equipped with model EDAX-9100 energy dispersive spectrometer) and WDS (model WDX-2A X-ray wave-length dispersive spectrometer).

  3. Characterization of chemically synthesized CdS nanoparticles

    Indian Academy of Sciences (India)

    Rajeev R Prabhu; M Abdul Khadar

    2005-11-01

    II–VI semiconductor nanoparticles are presently of great interest for their practical applications such as zero-dimensional quantum confined materials and for their applications in optoelectronics and photonics. The optical properties get modified dramatically due to the confinement of charge carriers within the nanoparticles. Similar to the effects of charge carriers on optical properties, confinement of optical and acoustic phonons leads to interesting changes in the phonon spectra. In the present work, we have synthesized nanoparticles of CdS using chemical precipitation technique. The crystal structure and grain size of the particles are studied using XRD. The UV–visible absorption, photoluminescence and Raman spectra of the sample are recorded and discussed briefly.

  4. SUGARCANE BAGASSE PULPING AND BLEACHING: THERMAL AND CHEMICAL CHARACTERIZATION

    Directory of Open Access Journals (Sweden)

    Paulo Henrique Fernandes Pereira

    2011-05-01

    Full Text Available Cellulose fibers were isolated from sugarcane bagasse in three stages. Initially sugarcane bagasse was subjected to a pre-treatment process with hydrolyzed acid to eliminate hemicellulose. Whole cellulosic fibers thus obtained were then subjected to a two-stage delignification process and finally to a bleaching process. The chemical structure of the resulting cellulose fibers was studied by Fourier Transform Infrared (FTIR spectroscopy. Scanning Electron Microscopy (SEM and X-ray diffraction (XRD were used to analyze the effects of hydrolysis, delignification, and bleaching on the structure of the fibers. Two different thermal analysis techniques were used to study the bleaching cellulose fibers. These techniques confirmed that cellulose fibers were isolated from sugarcane bagasse. A future goal is to use these fibers as reinforcement elements in composites, organic-inorganic hybrid, and membranes for nanofiltration.

  5. Study of novel mechano-chemical activation process of red mud to optimize nitrate removal from water.

    Science.gov (United States)

    Alighardashi, A; Gharibi, H R; Raygan, Sh; Akbarzadeh, A

    2016-01-01

    Red mud (RM) is the industrial waste of alumina production and causes serious environmental risks. In this paper, a novel activation procedure for RM (mechano-chemical processing) is proposed in order to improve the nitrate adsorption from water. High-energy milling and acidification were selected as mechanical and chemical activation methods, respectively. Synthesized samples of adsorbent were produced considering two parameters of activation: acid concentrations and acidification time in two selected milling times. Optimization of the activation process was based on nitrate removal from a stock solution. Experimental data were analyzed with two-way analysis of variance and Kruskal-Wallis methods to verify and discover the accuracy and probable errors. Best conditions (acceptable removal percentage > 75) were 17.6% w/w for acid concentrate and 19.9 minutes for acidification time in 8 hours for milling time. A direct relationship between increase in nitrate removal and increasing the acid concentration and acidification time was observed. The adsorption isotherms were studied and compared with other nitrate adsorbents. Characterization tests (X-ray fluorescence, X-ray diffraction, Fourier transform infrared spectrophotometry, dynamic light scattering, surface area analysis and scanning electron microscopy) were conducted for both raw and activated adsorbents. Results showed noticeable superiority in characteristics after activation: higher specific area and porosity, lower particle size and lower agglomeration in structure.

  6. Hydrolysis optimization and characterization study of preparing fatty acids from Jatropha curcas seed oil

    Directory of Open Access Journals (Sweden)

    Salimon Jumat

    2011-11-01

    Full Text Available Abstract Background Fatty acids (FAs are important as raw materials for the biotechnology industry. Existing methods of FAs production are based on chemical methods. In this study potassium hydroxide (KOH-catalyzed reactions were utilized to hydrolysis Jatropha curcas seed oil. Results The parameters effect of ethanolic KOH concentration, reaction temperature, and reaction time to free fatty acid (FFA% were investigated using D-Optimal Design. Characterization of the product has been studied using Fourier transforms infrared spectroscopy (FTIR, gas chromatography (GC and high performance liquid chromatography (HPLC. The optimum conditions for maximum FFA% were achieved at 1.75M of ethanolic KOH concentration, 65°C of reaction temperature and 2.0 h of reaction time. Conclusions This study showed that ethanolic KOH concentration was significant variable for J. curcas seed oil hydrolysis. In a 18-point experimental design, FFA% of hydrolyzed J. curcas seed oil can be raised from 1.89% to 102.2%, which proved by FTIR and HPLC.

  7. Characterization and intramolecular bonding patterns of busulfan: Experimental and quantum chemical approach

    Science.gov (United States)

    Karthick, T.; Tandon, Poonam; Singh, Swapnil; Agarwal, Parag; Srivastava, Anubha

    2017-02-01

    The investigations of structural conformers, molecular interactions and vibrational characterization of pharmaceutical drug are helpful to understand their behaviour. In the present work, the 2D potential energy surface (PES) scan has been performed on the dihedral angles C6sbnd O4sbnd S1sbnd C5 and C25sbnd S22sbnd O19sbnd C16 to find the stable conformers of busulfan. In order to show the effects of long range interactions, the structures on the global minima of PES scan have been further optimized by B3LYP/6-311 ++G(d,p) method with and without empirical dispersion functional in Gaussian 09W package. The presence of n → σ* and σ → σ* interactions which lead to stability of the molecule have been predicted by natural bond orbital analysis. The strong and weak hydrogen bonds between the functional groups of busulfan were analyzed using quantum topological atoms in molecules analysis. In order to study the long-range forces, such as van der Waals interactions, steric effect in busulfan, the reduced density gradient as well as isosurface defining these interactions has been plotted using Multiwfn software. The spectroscopic characterization on the solid phase of busulfan has been studied by experimental FT-IR and FT-Raman spectra. From the 13C and 1H NMR spectra, the chemical shifts of individual C and H atoms of busulfan have been predicted. The maximum absorption wavelengths corresponding to the electronic transitions between the highest occupied molecular orbital and the lowest unoccupied molecular orbital of busulfan have been found by UV-vis spectrum.

  8. Conformational exchange of aromatic side chains characterized by L-optimized TROSY-selected {sup 13}C CPMG relaxation dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Weininger, Ulrich; Respondek, Michal; Akke, Mikael, E-mail: mikael.akke@bpc.lu.se [Center for Molecular Protein Science, Lund University, Department of Biophysical Chemistry (Sweden)

    2012-09-15

    Protein dynamics on the millisecond time scale commonly reflect conformational transitions between distinct functional states. NMR relaxation dispersion experiments have provided important insights into biologically relevant dynamics with site-specific resolution, primarily targeting the protein backbone and methyl-bearing side chains. Aromatic side chains represent attractive probes of protein dynamics because they are over-represented in protein binding interfaces, play critical roles in enzyme catalysis, and form an important part of the core. Here we introduce a method to characterize millisecond conformational exchange of aromatic side chains in selectively {sup 13}C labeled proteins by means of longitudinal- and transverse-relaxation optimized CPMG relaxation dispersion. By monitoring {sup 13}C relaxation in a spin-state selective manner, significant sensitivity enhancement can be achieved in terms of both signal intensity and the relative exchange contribution to transverse relaxation. Further signal enhancement results from optimizing the longitudinal relaxation recovery of the covalently attached {sup 1}H spins. We validated the L-TROSY-CPMG experiment by measuring fast folding-unfolding kinetics of the small protein CspB under native conditions. The determined unfolding rate matches perfectly with previous results from stopped-flow kinetics. The CPMG-derived chemical shift differences between the folded and unfolded states are in excellent agreement with those obtained by urea-dependent chemical shift analysis. The present method enables characterization of conformational exchange involving aromatic side chains and should serve as a valuable complement to methods developed for other types of protein side chains.

  9. Fractal characterization and optimization of electroless Ni-P coatings

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, Prasanta [Department of Mechanical Engineering, Jadavpur University, Kolkata 700032 (India)

    2008-01-21

    This paper presents an experimental study of fractal characteristics of electroless Ni-P (EN) coatings and optimization of coating process parameters based on the Taguchi method. Experiments are carried out by utilizing the combination of process parameters based on the L{sub 27} Taguchi orthogonal design with three process parameters, namely, bath temperature, concentration of nickel source solution and concentration of reducing agent. It has been observed that the concentration of nickel source solution and the interaction of the bath temperature with the concentration of nickel source solution and reducing agent have a significant influence on controlling fractal dimension characteristics of EN coatings. The surface morphology and composition of coatings are also studied with the help of scanning electron microscopy, energy dispersed x-ray analysis and x-ray diffraction analysis.

  10. Recycling-oriented characterization of plastic frames and printed circuit boards from mobile phones by electronic and chemical imaging

    Energy Technology Data Exchange (ETDEWEB)

    Palmieri, Roberta; Bonifazi, Giuseppe; Serranti, Silvia, E-mail: silvia.serranti@uniroma1.it

    2014-11-15

    Highlights: • A recycling oriented characterization of end-of-life mobile phones was carried out. • Characterization was developed in a zero-waste-perspective, aiming to recover all the mobile phone materials. • Plastic frames and printed circuit boards were analyzed by electronic and chemical imaging. • Suitable milling/classification strategies were set up to define specialized-pre-concentrated-streams. • The proposed approach can improve the recovery of polymers, base/precious metals, rare earths and critical raw materials. - Abstract: This study characterizes the composition of plastic frames and printed circuit boards from end-of-life mobile phones. This knowledge may help define an optimal processing strategy for using these items as potential raw materials. Correct handling of such a waste is essential for its further “sustainable” recovery, especially to maximize the extraction of base, rare and precious metals, minimizing the environmental impact of the entire process chain. A combination of electronic and chemical imaging techniques was thus examined, applied and critically evaluated in order to optimize the processing, through the identification and the topological assessment of the materials of interest and their quantitative distribution. To reach this goal, end-of-life mobile phone derived wastes have been systematically characterized adopting both “traditional” (e.g. scanning electronic microscopy combined with microanalysis and Raman spectroscopy) and innovative (e.g. hyperspectral imaging in short wave infrared field) techniques, with reference to frames and printed circuit boards. Results showed as the combination of both the approaches (i.e. traditional and classical) could dramatically improve recycling strategies set up, as well as final products recovery.

  11. Synthesis and characterization of carbon nanofilms for chemical sensing

    Science.gov (United States)

    Kumar, Vivek

    Carbon nanofilms obtained by high temperature graphitization of diamond surface in inert atmospheres or vacuum are modified by treatment in plasma of different precursor gases. At temperatures above 1000 °C, a stable conductive film of thickness between 10 - 100 nm and specific resistivity 10-3-10-4 Ωm, depending upon the heating conditions and the growth atmosphere, is formed on diamond surface. A gray, thin film of high surface resistivity is obtained in high vacuum, while at low vacuum (below 10-4 mbar), a thick black film of low surface resistivity forms. It is observed that the exposure to plasma reduces the surface conductance of carbon nanofilms as result of a partial removal of carbon and the plasma-stimulated amorphization. The rate of the reduction of conductance and hence the etching ability of plasma depends on the type of precursor gas. Hydrogen reveals the strongest etching ability, followed by oxygen and argon, whereas SF6 is ineffective. The carbon nanofilms show significant sensitivity of their electrical conductance to temperature and exposure to the vapors of common organic compounds. The oxygen plasma treated films exhibit selective response to acetone and water vapors. The fast response and recovery of the conductance are the features of the carbon nanofilms. The plasma-treated carbon nanofilm on graphitized diamond surface is discussed as a promising sensing material for development of all-carbon chemical sensors, which may be suitable for biological and medical applications. An alternative approach of fabrication of temperature and chemical sensitive carbon nanofilms on insulating substrates is proposed. The films are obtained by direct deposition of sputtered carbon on highly polished quartz substrates followed by subsequent annealing at temperatures above 400 °C. It is observed that the as-deposited films are essentially amorphous, while the heating induces irreversible structural ordering and gradual conversion of amorphous carbon in

  12. Characterization of optimal resting tension in human pulmonary arteries

    Science.gov (United States)

    Hussain, Azar; Bennett, Robert T; Chaudhry, Mubarak A; Qadri, Syed S; Cowen, Mike; Morice, Alyn H; Loubani, Mahmoud

    2016-01-01

    AIM To determine the optimum resting tension (ORT) for in vitro human pulmonary artery (PA) ring preparations. METHODS Pulmonary arteries were dissected from disease free sections of the resected lung in the operating theatre and tissue samples were directly sent to the laboratory in Krebs-Henseleit solution (Krebs). The pulmonary arteries were then cut into 2 mm long rings. PA rings were mounted in 25 mL organ baths or 8 mL myograph chambers containing Krebs compound (37 °C, bubbled with 21% O2: 5% CO2) to measure changes in isometric tension. The resting tension was set at 1-gram force (gf) with vessels being left static to equilibrate for duration of one hour. Baseline contractile reactions to 40 mmol/L KCl were obtained from a resting tension of 1 gf. Contractile reactions to 40 mmol/L KCl were then obtained from stepwise increases in resting tension (1.2, 1.4, 1.6, 1.8 and 2.0 gf). RESULTS Twenty PA rings of internal diameter between 2-4 mm were prepared from 4 patients. In human PA rings incrementing the tension during rest stance by 0.6 gf, up to 1.6 gf significantly augmented the 40 mmol/L KCl stimulated tension. Further enhancement of active tension by 0.4 gf, up to 2.0 gf mitigate the 40 mmol/L KCl stimulated reaction. Both Myograph and the organ bath demonstrated identical conclusions, supporting that the radial optimal resting tension for human PA ring was 1.61 g. CONCLUSION The radial optimal resting tension in our experiment is 1.61 gf (15.78 mN) for human PA rings. PMID:27721938

  13. Physico-chemical Characterization of Mo-Hβ Zeolite Catalysts

    Institute of Scientific and Technical Information of China (English)

    LIU Sheng-lin; HUANG Sheng-jun; XIN Wen-jie; QIN xin-hua; XIE Su-juan; XU Long-ya

    2004-01-01

    A series of Mo-impregnated Hβ samples, with MoO3 loading in Hβ zeolite in the mass fraction range of 0. 5%-6.0%, were studied by means of XRD and IR in order to characterize their structures. Mo/Hβ samples' crystallinity almost linearly decreases with increasing the amount of MoO3 loaded. The IR spectra and XRD patterns suggest that the progressive destabilization of the Hβ zeolite structure is caused by increasing Mo loading in (MoO3+Hβ zeolite). During the calcination, Al2(MoO4)3 formed from the dealumination of Hβ zeolite, causes the substantially partial breakdown of the zeolite framework when the Mo loading in MoO3 +Hβ is relatively high.

  14. Optimization of integrated chemical-biological degradation of a reactive azo dye using response surface methodology

    Energy Technology Data Exchange (ETDEWEB)

    Sudarjanto, Gatut [Advanced Wastewater Management Centre, The University of Queensland, Qld 4072 (Australia); Keller-Lehmann, Beatrice [Advanced Wastewater Management Centre, The University of Queensland, Qld 4072 (Australia); Keller, Jurg [Advanced Wastewater Management Centre, The University of Queensland, Qld 4072 (Australia)]. E-mail: j.keller@awmc.uq.edu.au

    2006-11-02

    The integrated chemical-biological degradation combining advanced oxidation by UV/H{sub 2}O{sub 2} followed by aerobic biodegradation was used to degrade C.I. Reactive Azo Red 195A, commonly used in the textile industry in Australia. An experimental design based on the response surface method was applied to evaluate the interactive effects of influencing factors (UV irradiation time, initial hydrogen peroxide dosage and recirculation ratio of the system) on decolourisation efficiency and optimizing the operating conditions of the treatment process. The effects were determined by the measurement of dye concentration and soluble chemical oxygen demand (S-COD). The results showed that the dye and S-COD removal were affected by all factors individually and interactively. Maximal colour degradation performance was predicted, and experimentally validated, with no recirculation, 30 min UV irradiation and 500 mg H{sub 2}O{sub 2}/L. The model predictions for colour removal, based on a three-factor/five-level Box-Wilson central composite design and the response surface method analysis, were found to be very close to additional experimental results obtained under near optimal conditions. This demonstrates the benefits of this approach in achieving good predictions while minimising the number of experiments required.

  15. SMET: systematic multiple enzyme targeting - a method to rationally design optimal strains for target chemical overproduction.

    Science.gov (United States)

    Flowers, David; Thompson, R Adam; Birdwell, Douglas; Wang, Tsewei; Trinh, Cong T

    2013-05-01

    Identifying multiple enzyme targets for metabolic engineering is very critical for redirecting cellular metabolism to achieve desirable phenotypes, e.g., overproduction of a target chemical. The challenge is to determine which enzymes and how much of these enzymes should be manipulated by adding, deleting, under-, and/or over-expressing associated genes. In this study, we report the development of a systematic multiple enzyme targeting method (SMET), to rationally design optimal strains for target chemical overproduction. The SMET method combines both elementary mode analysis and ensemble metabolic modeling to derive SMET metrics including l-values and c-values that can identify rate-limiting reaction steps and suggest which enzymes and how much of these enzymes to manipulate to enhance product yields, titers, and productivities. We illustrated, tested, and validated the SMET method by analyzing two networks, a simple network for concept demonstration and an Escherichia coli metabolic network for aromatic amino acid overproduction. The SMET method could systematically predict simultaneous multiple enzyme targets and their optimized expression levels, consistent with experimental data from the literature, without performing an iterative sequence of single-enzyme perturbation. The SMET method was much more efficient and effective than single-enzyme perturbation in terms of computation time and finding improved solutions.

  16. A microfabricated nanocalorimeter: design, characterization, and chemical calibration.

    Science.gov (United States)

    Xu, Junkai; Reiserer, Ron; Tellinghuisen, Joel; Wikswo, John P; Baudenbacher, Franz J

    2008-04-15

    A microfabricated titration calorimeter having nanowatt sensitivity is presented. The device is achieved by modifying a commercial, suspended-membrane, thin-film thermopile infrared sensor. Chemical reactions are studied by placing a 50.0 nL droplet of one reagent directly on the sensor and injecting nanoliter droplets of a second reagent through a micropipette by means of a pressure-driven droplet injector with 1% reliability in volume delivery. External thermal noise is minimized by a two-layer thermal shielding system. Evaporation is prevented by positioning the micropipette through a tiny hole in a cover glass, sealed by a drop of oil. The device is calibrated using two acid-base reactions: H2SO4 + HEPES buffer, and NaOH + HCl. The measured power sensitivity is 2.90(4) V/W, giving a detection limit of 22 nW. The 1/e time constant for a single injection is 1.1 s. The day-to-day power sensitivity is reproducible to approximately 2%. A computational model of the sensor reproduces the power sensitivity within 10% and the time constant within 20%. For a 50 nL sample and 0.8-1.5 nL titrant injection volumes, the heat uncertainty of 44 nJ corresponds to a 3sigma detection limit of 132 nJ, or the binding energy associated with 2.9 pM of IgG-protein A complex.

  17. Radiation chemical synthesis and characterization of UO 2 nanoparticles

    Science.gov (United States)

    Roth, Olivia; Hasselberg, Hanna; Jonsson, Mats

    2009-01-01

    In a deep repository for spent nuclear fuel, U(VI)(aq) released upon dissolution of the fuel matrix could, in reducing parts of the system, be converted to U(IV) species which might coalesce and form nanometer-sized UO 2 particles. This type of particles is expected to have different properties compared to bulk UO 2(s). Hence, their properties, in particular the capacity for oxidant consumption, must be investigated in order to assess the effects of formation of such particles in a deep repository. In this work, methods for radiation chemical synthesis of nanometer-sized UO 2 particles, by electron- and γ-irradiation of U(VI) solutions, are presented. Electron-irradiation proved to be the most efficient method, showing high conversions of U(VI) and yielding small particles with a narrow size distribution (22-35 nm). Stable colloidal suspensions were obtained at low pH and ionic strength (pH 3, I = 0.03). Furthermore, the reactivity of the produced UO 2 particles towards H 2O 2 is investigated. The U(IV) fraction in the produced particles was found to be ˜20% of the total uranium content, and the results show that the UO 2 nanoparticles are significantly more reactive than micrometer-sized UO 2 when it comes to H 2O 2 consumption, the major part of the H 2O 2 being catalytically decomposed on the particle surface.

  18. Regioselective sulfation of Artemisia sphaerocephala polysaccharide: Characterization of chemical structure.

    Science.gov (United States)

    Wang, Junlong; Yang, Wen; Wang, Jiancheng; Wang, Xia; Wu, Fang; Yao, Jian; Zhang, Ji; Lei, Ziqiang

    2015-11-20

    The biological activities of sulfated polysaccharides are related to the substitution positions of functional groups. In this study, regioselective sulfation of Artemisia sphaerocephala polysaccharides (SRSASP) was prepared by using triphenylchloromethane (TrCl) as protecting precursor. FT-IR spectra and X-ray photoelectron spectroscopy (XPS) showed that SO(3-) group (S(6+), high binding energy of 168.7eV) was widely present in sulfated polysaccharides. (13)C NMR spectroscopy showed that C-2 and C-3 substitution was occurred but not fully sulfation. Meanwhile, C-6 substituted signals near 65ppm were not observed. The degree of substitution varied from 0.44 to 0.63 in SRSASP which could be attributed to the low reactivity at secondary hydroxyl. Monosaccharide composition result showed a decrease in the ratio of mannose/glucose, indicating the change of chemical composition in sulfated polysaccharides. In size-exclusion chromatograph analysis, a decrease in molecular weight and broadening of molecular weight distribution of sulfated polysaccharides was also observed. It could be attributed to the hydrolysis of polysaccharide in the sulfated reaction.

  19. Curcumin phytosomal softgel formulation: Development, optimization and physicochemical characterization

    Directory of Open Access Journals (Sweden)

    Allam Ahmed N.

    2015-09-01

    Full Text Available Curcumin, a naturally occurring lipophilic molecule can exert multiple and diverse bioactivities. However, its limited aqueous solubility and extensive presystemic metabolism restrict its bioavailability. Curcumin phytosomes were prepared by a simple solvent evaporation method where free flowing powder was obtained in addition to a newly developed semisolid formulation to increase curcumin content in softgels. Phytosomal powder was characterized in terms of drug content and zeta potential. Thirteen different softgel formulations were developed using oils such as Miglyol 812, castor oil and oleic acid, a hydrophilic vehicle such as PEG 400 and bioactive surfactants such as Cremophor EL and KLS P 124. Selected formulations were characterized in terms of curcumin in vitro dissolution. TEM analysis revealed good stability and a spherical, self-closed structure of curcumin phytosomes in complex formulations. Stability studies of chosen formulations prepared using the hydrophilic vehicle revealed a stable curcumin dissolution pattern. In contrast, a dramatic decrease in curcumin dissolution was observed in case of phytosomes formulated in oily vehicles.

  20. Industrial cogeneration optimization program. Volume II. Appendix A. Conceptual designs and preliminary equipment specifications. Appendix B. Characterization of cogeneration systems (near-term technology). Appendix C. Optimized cogeneration systems

    Energy Technology Data Exchange (ETDEWEB)

    1980-01-01

    This appendix to a report which evaluates the technical, economic, and institutional aspects of industrial cogeneration for conserving energy in the food, chemical, textile, paper, and petroleum industries contains data, descriptions, and diagrams on conceptual designs and preliminary equipment specifications for cogeneration facilities; characterization of cogeneration systems in terms of fuel utilization, performance, air pollution control, thermal energy storage systems, and capital equipment costs; and optimized cogeneration systems for specific industrial plants. (LCL)

  1. Optimization of synthesis conditions of PbS thin films grown by chemical bath deposition using response surface methodology

    Energy Technology Data Exchange (ETDEWEB)

    Yücel, Ersin, E-mail: dr.ersinyucel@gmail.com [Department of Physics, Faculty of Arts and Sciences, Mustafa Kemal University, 31034 Hatay (Turkey); Yücel, Yasin; Beleli, Buse [Department of Chemistry, Faculty of Arts and Sciences, Mustafa Kemal University, 31034 Hatay (Turkey)

    2015-09-05

    Highlights: • For the first time, RSM and CCD used for optimization of PbS thin film. • Tri-sodium citrate, deposition time and temperature were independent variables. • PbS thin film band gap value was 2.20 eV under the optimum conditions. • Quality of the film was improved after chemometrics optimization. - Abstract: In this study, PbS thin films were synthesized by chemical bath deposition (CBD) under different deposition parameters. Response surface methodology (RSM) was used to optimize synthesis parameters including amount of tri-sodium citrate (0.2–0.8 mL), deposition time (14–34 h) and deposition temperature (26.6–43.4 °C) for deposition of the films. 5-level-3-factor central composite design (CCD) was employed to evaluate effects of the deposition parameters on the response (optical band gap of the films). The significant level of both the main effects and the interaction are investigated by analysis of variance (ANOVA). The film structures were characterized by X-ray diffractometer (XRD). Morphological properties of the films were studied with a scanning electron microscopy (SEM). The optical properties of the films were investigated using a UV–visible spectrophotometer. The optimum amount of tri-sodium citrate, deposition time and deposition temperature were found to be 0.7 mL, 18.07 h and 30 °C respectively. Under these conditions, the experimental band gap of PbS was 2.20 eV, which is quite good correlation with value (1.98 eV) predicted by the model.

  2. Maximally Distant Codes Allocation Using Chemical Reaction Optimization with Enhanced Exploration

    Directory of Open Access Journals (Sweden)

    Taisir Eldos

    2016-01-01

    Full Text Available Error correcting codes, also known as error controlling codes, are sets of codes with redundancy that provides for error detection and correction, for fault tolerant operations like data transmission over noisy channels or data retention using storage media with possible physical defects. The challenge is to find a set of m codes out of 2n available n-bit combinations, such that the aggregate hamming distance among those codewords and/or the minimum distance is maximized. Due to the prohibitively large solution spaces of practically sized problems, greedy algorithms are used to generate quick and dirty solutions. However, modern evolutionary search techniques like genetic algorithms, swarm particles, gravitational search, and others, offer more feasible solutions, yielding near optimal solutions in exchange for some computational time. The Chemical Reaction Optimization (CRO, which is inspired by the molecular reactions towards a minimal energy state, emerged recently as an efficient optimization technique. However, like the other techniques, its internal dynamics are hard to control towards convergence, yielding poor performance in many situations. In this research, we proposed an enhanced exploration strategy to overcome this problem, and compared it with the standard threshold based exploration strategy in solving the maximally distant codes allocation problem. Test results showed that the enhancement provided better performance on most metrics.

  3. Physical and chemical characterization of residential oil boiler emissions.

    Science.gov (United States)

    Hays, Michael D; Beck, Lee; Barfield, Pamela; Lavrich, Richard J; Dong, Yuanji; Vander Wal, Randy L

    2008-04-01

    The toxicity of emissions from the combustion of home heating oil coupled with the regional proximity and seasonal use of residential oil boilers (ROB) is an important public health concern. Yet scant physical and chemical information about the emissions from this source is available for climate and air quality modeling and for improving our understanding of aerosol-related human health effects. The gas- and particle-phase emissions from an active ROB firing distillate fuel oil (commonly known as diesel fuel) were evaluated to address this deficiency. Ion chromatography of impactor samples showed that the ultrafine ROB aerosol emissions were approximately 45% (w/w) sulfate. Gas chromatography-mass spectrometry detected various n-alkanes at trace levels, sometimes in accumulation mode particles, and out of phase with the size distributions of aerosol mass and sulfate. The carbonaceous matter in the ROB aerosol was primarily light-adsorbing elemental carbon. Gas chromatography-atomic emission spectroscopy measured a previously unrecognized organosulfur compound group in the ROB aerosol emissions. High-resolution transmission electron microscopy of ROB soot indicated the presence of a highly ordered primary particle nanostructure embedded in larger aggregates. Organic gas emissions were measured using EPA Methods TO-15 and TO-11A. The ROB emitted volatile oxygenates (8 mg/(kg of oil burned)) and olefins (5 mg/(kg of oil burned)) mostly unrelated to the base fuel composition. In the final analysis, the ROB tested was a source of numerous hazardous air pollutants as defined in the Clean Air Act Amendments. Approximations conducted using emissions data from the ROB tests show relatively low contributions to a regional-level anthropogenic emissions inventory for volitile organic compounds, PM2.5, and SO2 mass.

  4. Characterization of ammonia borane for chemical propulsion applications

    Science.gov (United States)

    Weismiller, Michael

    Ammonia borane (NH3BH3; AB), which has a hydrogen content of 19.6% by weight, has been studied recently as a potential means of hydrogen storage for use in fuel cell applications. Its gaseous decomposition products have a very low molecular weight, which makes AB attractive in a propulsion application, since specific impulse is inversely related to the molecular weight of the products. AB also contains boron, which is a fuel of interest for solid propellants because of its high energy density per unit volume. Although boron particles are difficult to ignite due to their passivation layer, the boron molecularly bound in AB may react more readily. The concept of fuel depots in low-earth orbit has been proposed for use in deep space exploration. These would require propellants that are easily storable for long periods of time. AB is a solid at standard temperature and pressure and would not suffer from mass loss due to boil-off like cryogenic hydrogen. The goal of this work is to evaluate AB as a viable fuel in chemical propulsion. Many studies have examined AB decomposition at slow heating rates, but in a propellant, AB will experience rapid heating. Since heating rate has been shown to affect the thermolysis pathways in energetic materials, AB thermolysis was studied at high heating rates using molecular dynamics simulations with a ReaxFF reactive force field and experimental studies with a confined rapid thermolysis set-up using time-of-flight mass spectrometry and FTIR absorption spectroscopy diagnostics. Experimental results showed the formation of NH3, H2NBH2, H2, and at later times, c-(N3B3H6) in the gas phase, while polymer formation was observed in the condensed phase. Molecular dynamics simulations provided an atomistic description of the reactions which likely form these compounds. Another subject which required investigation was the reaction of AB in oxidizing environments, as there were no previous studies in the literature. Oxygen bond descriptions were

  5. Production and chemical characterization of pigments in filamentous fungi.

    Science.gov (United States)

    Souza, Patrícia Nirlane da Costa; Grigoletto, Tahuana Luiza Bim; de Moraes, Luiz Alberto Beraldo; Abreu, Lucas M; Guimarães, Luís Henrique Souza; Santos, Cledir; Galvão, Luciano Ribeiro; Cardoso, Patrícia Gomes

    2016-01-01

    Production of pigments by filamentous fungi is gaining interest owing to their use as food colourants, in cosmetics and textiles, and because of the important biological activities of these compounds. In this context, the objectives of this study were to select pigment-producing fungi, identify these fungi based on internal transcribed spacer sequences, evaluate the growth and pigment production of the selected strains on four different media, and characterize the major coloured metabolites in their extracts. Of the selected fungal strains, eight were identified as Aspergillus sydowii (CML2967), Aspergillus aureolatus (CML2964), Aspergillus keveii (CML2968), Penicillium flavigenum (CML2965), Penicillium chermesinum (CML2966), Epicoccum nigrum (CML2971), Lecanicillium aphanocladii (CML2970) and Fusarium sp. (CML2969). Fungal pigment production was influenced by medium composition. Complex media, such as potato dextrose and malt extract, favoured increased pigment production. The coloured compounds oosporein, orevactaene and dihydrotrichodimerol were identified in extracts of L. aphanocladii (CML2970), E. nigrum (CML2971), and P. flavigenum (CML2965), respectively. These results indicate that the selected fungal strains can serve as novel sources of pigments that have important industrial applications.

  6. Fabrication, Optimization and Characterization of Natural Dye Sensitized Solar Cell

    Science.gov (United States)

    Ghann, William; Kang, Hyeonggon; Sheikh, Tajbik; Yadav, Sunil; Chavez-Gil, Tulio; Nesbitt, Fred; Uddin, Jamal

    2017-01-01

    The dyes extracted from pomegranate and berry fruits were successfully used in the fabrication of natural dye sensitized solar cells (NDSSC). The morphology, porosity, surface roughness, thickness, absorption and emission characteristics of the pomegranate dye sensitized photo-anode were studied using various analytical techniques including FESEM, EDS, TEM, AFM, FTIR, Raman, Fluorescence and Absorption Spectroscopy. Pomegranate dye extract has been shown to contain anthocyanin which is an excellent light harvesting pigment needed for the generation of charge carriers for the production of electricity. The solar cell’s photovoltic performance in terms of efficiency, voltage, and current was tested with a standard illumination of air-mass 1.5 global (AM 1.5 G) having an irradiance of 100 mW/cm2. After optimization of the photo-anode and counter electrode, a photoelectric conversion efficiency (η) of 2%, an open-circuit voltage (Voc) of 0.39 mV, and a short-circuit current density (Isc) of 12.2 mA/cm2 were obtained. Impedance determination showed a relatively low charge-transfer resistance (17.44 Ω) and a long lifetime, signifying a reduction in recombination losses. The relatively enhanced efficiency is attributable in part to the use of a highly concentrated pomegranate dye, graphite counter electrode and TiCl4 treatment of the photo-anode.

  7. Fabrication, Optimization and Characterization of Natural Dye Sensitized Solar Cell

    Science.gov (United States)

    Ghann, William; Kang, Hyeonggon; Sheikh, Tajbik; Yadav, Sunil; Chavez-Gil, Tulio; Nesbitt, Fred; Uddin, Jamal

    2017-01-01

    The dyes extracted from pomegranate and berry fruits were successfully used in the fabrication of natural dye sensitized solar cells (NDSSC). The morphology, porosity, surface roughness, thickness, absorption and emission characteristics of the pomegranate dye sensitized photo-anode were studied using various analytical techniques including FESEM, EDS, TEM, AFM, FTIR, Raman, Fluorescence and Absorption Spectroscopy. Pomegranate dye extract has been shown to contain anthocyanin which is an excellent light harvesting pigment needed for the generation of charge carriers for the production of electricity. The solar cell’s photovoltic performance in terms of efficiency, voltage, and current was tested with a standard illumination of air-mass 1.5 global (AM 1.5 G) having an irradiance of 100 mW/cm2. After optimization of the photo-anode and counter electrode, a photoelectric conversion efficiency (η) of 2%, an open-circuit voltage (Voc) of 0.39 mV, and a short-circuit current density (Isc) of 12.2 mA/cm2 were obtained. Impedance determination showed a relatively low charge-transfer resistance (17.44 Ω) and a long lifetime, signifying a reduction in recombination losses. The relatively enhanced efficiency is attributable in part to the use of a highly concentrated pomegranate dye, graphite counter electrode and TiCl4 treatment of the photo-anode. PMID:28128369

  8. Diesters Biolubricant Base Oil: Synthesis, Optimization, Characterization, and Physicochemical Characteristics

    Directory of Open Access Journals (Sweden)

    Jumat Salimon

    2012-01-01

    Full Text Available Diesters biolubricant base oil, oleyl 9(12-hydroxy-10(13-oleioxy-12(9-octadecanoate (OLHYOOD was synthesized based on the esterification reaction of 9,12-hydroxy-10,13-oleioxy-12-octadecanoic acid (HYOOA with oleyl alcohol (OL and catalyzed by sulfuric acid (SA. Optimum conditions of the experiment to obtain high yield % of OLHYOOD were predicted at ratio of OL/HYOOA of 2 : 1 mol/mol, ratio of SA/HYOOA of 0.7 : 1 mol/mol, reaction temperature 110°C, and 7 h of reaction time. At this condition, the yield of OLHYOOD was 88.7%. Disappearance of carboxylic acid (C=O peak has been observed by FTIR with appearance of ester (C=O peak at 1738 cm-1. 13C, and 1H NMR spectra analyses confirmed the result of OLHYOOD with the appearance of carbon-ester (C=O chemical shift at 173.93 ppm and at 4.05 ppm for 13C and 1H NMR, respectively. The physicochemical characteristics of the OLHYOOD were also determined, which showed improved low temperature properties (PP −62°C, viscosity index (VI at 192 and also increased oxidative stability (OT up to 215.24°C.

  9. Tank 40 Final Sludge Batch 8 Chemical Characterization Results

    Energy Technology Data Exchange (ETDEWEB)

    Bannochie, Christopher J.

    2013-09-19

    A sample of Sludge Batch 8 (SB8) was pulled from Tank 40 in order to obtain radionuclide inventory analyses necessary for compliance with the Waste Acceptance Product Specifications (WAPS). The SB8 WAPS sample was also analyzed for chemical composition, including noble metals, and fissile constituents, and these results are reported here. These analyses along with the WAPS radionuclide analyses will help define the composition of the sludge in Tank 40 that is currently being fed to the Defense Waste Processing Facility (DWPF) as SB8. At SRNL, the 3-L Tank 40 SB8 sample was transferred from the shipping container into a 4-L high density polyethylene bottle and solids were allowed to settle. Supernate was then siphoned off and circulated through the shipping container to complete the transfer of the sample. Following thorough mixing of the 3-L sample, a 553 g sub-sample was removed. This sub-sample was then utilized for all subsequent slurry sample preparations. Eight separate aliquots of the slurry were digested, four with HNO{sub 3}/HCl (aqua regia) in sealed Teflon(r) vessels and four with NaOH/Na{sub 2}O{sub 2} (alkali or peroxide fusion) using Zr crucibles. Two Analytical Reference Glass - 1 (ARG-1) standards were digested along with a blank for each preparation. Each aqua regia digestion and blank was diluted to 1:100 mL with deionized water and submitted to Analytical Development (AD) for inductively coupled plasma - atomic emission spectroscopy (ICP-AES) analysis, inductively coupled plasma - mass spectrometry (ICP-MS) analysis, atomic absorption spectroscopy (AA) for As and Se, and cold vapor atomic absorption spectroscopy (CV-AA) for Hg. Equivalent dilutions of the alkali fusion digestions and blank were submitted to AD for ICP-AES analysis. Tank 40 SB8 supernate was collected from a mixed slurry sample in the SRNL Shielded Cells and submitted to AD for ICP-AES, ion chromatography (IC), total base/free OH-/other base, total inorganic carbon/total organic

  10. Chemical characterization of springtime submicrometer aerosol in Po Valley, Italy

    Directory of Open Access Journals (Sweden)

    S. Saarikoski

    2012-09-01

    Full Text Available The chemistry of submicron particles was investigated at San Pietro Capofiume (SPC measurement station in the Po Valley, Italy, in spring 2008. The measurements were performed by using both off-line and on-line instruments. Organic carbon (OC and elemental carbon, organic acids and biomass burning tracers were measured off-line by using a 24-h PM1 filter sampling. More detailed particle chemistry was achieved by using a Aerodyne high resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS and analyzing the data by positive matrix factorization (PMF. Oxalic acid had the highest concentrations of organic acids (campaign-average 97.4 ng m−3 followed by methane sulfonic, formic, malonic, and malic acids. Samples were also analyzed for glyoxylic, succinic, azelaic and maleic acids. In total, the nine acids composed 1.9 and 3.8% of OC and water-soluble OC, respectively (average, in terms of carbon atoms. Levoglucosan concentration varied from 17.7 to 495 ng m−3 with the concentration decreasing in the course of the campaign most likely due to the reduced use of domestic heating with wood. Six factors were found for organic aerosol (OA at SPC by PMF: hydrocarbon-like OA (HOA, biomass burning OA (BBOA, nitrogen-containing OA (N-OA and three different oxygenated OAs (OOA-a, OOA-b and OOA-c. Most of the OA mass was composed of OOA-a, HOA and OOA-c (26, 24 and 22%, respectively followed by OOA-b (13%, BBOA (8% and N-OA (7%. As expected, OOAs were the most oxygenated factors with organic matter:organic carbon (OM : OC ratios ranging from 1.9 to 2.2. The diurnal variability of the aerosol chemical composition was greatly affected by the boundary layer meteorology. Specifically, the effect of the nocturnal layer break-up in morning hours was most evident for nitrate and N-OA indicating that these compounds originated mainly from the local sources in the Po Valley. For sulfate and OOA-a the concentration did not

  11. Tank 40 Final SB7b Chemical Characterization Results

    Energy Technology Data Exchange (ETDEWEB)

    Bannochie, C. J.

    2012-11-06

    A sample of Sludge Batch 7b (SB7b) was taken from Tank 40 in order to obtain radionuclide inventory analyses necessary for compliance with the Waste Acceptance Product Specifications (WAPS). The SB7b WAPS sample was also analyzed for chemical composition including noble metals and fissile constituents. At the Savannah River National Laboratory (SRNL) the 3-L Tank 40 SB7b sample was transferred from the shipping container into a 4-L high density polyethylene bottle and solids were allowed to settle over the weekend. Supernate was then siphoned off and circulated through the shipping container to complete the transfer of the sample. Following thorough mixing of the 3-L sample, a 558 g sub-sample was removed. This sub-sample was then utilized for all subsequent analytical samples. Eight separate aliquots of the slurry were digested, four with HNO{sub 3}/HCl (aqua regia) in sealed Teflon vessels and four with NaOH/Na{sub 2}O{sub 2} (alkali or peroxide fusion) using Zr crucibles. Two Analytical Reference Glass ? 1 (ARG-1) standards were digested along with a blank for each preparation. Each aqua regia digestion and blank was diluted to 1:100 mL with deionized water and submitted to Analytical Development (AD) for inductively coupled plasma ? atomic emission spectroscopy (ICP-AES) analysis, inductively coupled plasma ? mass spectrometry (ICP-MS) analysis, atomic absorption spectroscopy (AA) for As and Se, and cold vapor atomic absorption spectroscopy (CV-AA) for Hg. Equivalent dilutions of the alkali fusion digestions and blank were submitted to AD for ICP-AES analysis. Tank 40 SB7b supernate was collected from a mixed slurry sample in the SRNL Shielded Cells and submitted to AD for ICP-AES, ion chromatography (IC), total base/free OH{sup -}/other base, total inorganic carbon/total organic carbon (TIC/TOC) analyses, and Cs-137 gamma scan. Weighted dilutions of slurry were submitted for IC, TIC/TOC, and total base/free OH-/other base analyses. Activities for U-233, U-235

  12. Chemical characterization of springtime submicrometer aerosol in Po Valley, Italy

    Directory of Open Access Journals (Sweden)

    S. Saarikoski

    2012-03-01

    Full Text Available The chemistry of submicron particles was investigated at San Pietro Capofiume (SPC measurement station in the Po Valley, Italy, in spring 2008. The measurements were performed by using both off-line and on-line instruments. Organic carbon (OC and elemental carbon, organic acids and biomass burning tracers were measured off-line by using a 24-h PM1 filter sampling. More detailed particle chemistry was achieved by using an Aerodyne high resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS and analyzing the data by positive matrix factorization (PMF. Oxalic acid had the highest concentrations of organic acids (campaign-average 97.4 ng m−3 followed by methane sulfonic, formic, malonic, and malic acids. Samples were also analyzed for glyoxylic, succinic, azelaic and maleic acids. In total, the nine acids composed 1.9 and 3.8% of OC and water-soluble OC, respectively (average, in terms of carbon atoms. Levoglucosan concentration varied from 17.7 to 495 ng m−3 with the concentration decreasing in the course of the campaign most likely due to the reduced use of domestic heating with wood. Six factors were found for organic aerosol (OA at SPC by PMF: hydrocarbon-like OA (HOA, biomass burning OA (BBOA, nitrogen-containing OA (N-OA and three different oxygenated OAs (OOA-a, OOA-b and OOA-c. Most of the OA mass was composed of OOA-a, HOA and OOA-c (26, 24 and 22%, respectively followed by OOA-b (13%, BBOA (8% and N-OA (7%. As expected, OOAs were the most oxygenated factors with organic matter:organic carbon (OM:OC ratios ranging from 1.9 to 2.2. The diurnal variability of the aerosol chemical composition was greatly affected by the boundary layer meteorology. Specifically, the effect of the nocturnal layer break-up in morning hours was most evident for nitrate and N-OA indicating that these compounds originated mainly from the local sources in the Po Valley. For sulfate and OOA-a the concentration did not

  13. Chemical characterization of marajoara ceramics; Caracterizacao quimica da ceramica marajoara

    Energy Technology Data Exchange (ETDEWEB)

    Toyota, Rosimeiri Galbiati

    2009-07-01

    In this study the elemental concentration of Ce, Co, Cr, Cs, Eu, Fe, Hf, K, La, Lu, Na, Nd, Rb, Sc, Sm, Ta, Tb, Th, U, Yb and Zn were determined by instrumental neutron activation analysis (INAA) in 204 fragments of Marajoara archaeological ceramics, of which 156 were provided by the Archaeology and Ethnology Museum of Sao Paulo University (MAE) and 48 were provided by Dr. Denise Pahl Schaan, Marajo Museum curator. Also, 9 contemporary ceramics produced and marketed at Marajo Island were analyzed. Electron paramagnetic resonance (EPR) analyses were performed in 8 archaeological samples and 1 contemporary sample in order to identify the burning temperature of the samples. X-ray diffraction (XRD) analyses were performed in 13 archaeological samples and 2 contemporary samples for the investigation of their mineralogical composition. Mahalanobis distance was used for the study of outlier while modified filter was used for the study of the temper added to the ceramic paste. Result interpretation was performed using cluster analysis, principal components analysis and discriminant analysis. Procrustes analysis was used for variable selection and it showed that the Ce, Fe, Eu, Hf, K and Th variables are adequate for the characterization of the analyzed samples. The comparative study among the archaeological and contemporary ceramics showed the arrangement of two well-defined and close groups for the archaeological samples and a third, distant group for the contemporary ones. This result indicates that the archaeological and contemporary ceramics differ in their composition. EPR and XRD analysis were inconclusive for the differentiation of archaeological and contemporary ceramics. (author)

  14. An Optimization Formulation for Characterization of Pulsatile Cortisol Secretion

    Directory of Open Access Journals (Sweden)

    Rose Taj Faghih

    2015-08-01

    Full Text Available Cortisol is released to relay information to cells to regulate metabolism and reaction to stress and inflammation. In particular, cortisol is released in the form of pulsatile signals. This low-energy method of signaling seems to be more efficient than continuous signaling. We hypothesize that there is a controller in the anterior pituitary that leads to pulsatile release of cortisol, and propose a mathematical formulation for such controller, which leads to impulse control as opposed to continuous control. We postulate that this controller is minimizing the number of secretory events that result in cortisol secretion, which is a way of minimizing the energy required for cortisol secretion; this controller maintains the blood cortisol levels within a specific circadian range while complying with the first order dynamics underlying cortisol secretion. We use an l0-norm cost function for this controller, and solve a reweighed l1-norm minimization algorithm for obtaining the solution to this optimization problem. We use 4 examples to illustrate the performance of this approach: (i a toy problem that achieves impulse control, (ii two examples that achieve physiologically plausible pulsatile cortisol release, (iii an example where the number of pulses is not within the physiologically plausible range for healthy subjects while the cortisol levels are within the desired range. This novel approach results in impulse control where the impulses and the obtained blood cortisol levels have a circadian rhythm and an ultradian rhythm that are in agreement with the known physiology of cortisol secretion. The proposed formulation is a first step in developing intermittent controllers for curing cortisol deficiency. This type of bio-inspired pulse controllers can be employed for designing non-continuous controllers in brain-machine interface design for neuroscience applications.

  15. Amazonian Buriti oil: chemical characterization and antioxidant potential

    Directory of Open Access Journals (Sweden)

    Speranza, P.

    2016-06-01

    Full Text Available Buriti oil is an example of an Amazonian palm oil of economic importance. The local population uses this oil for the prevention and treatment of different diseases; however, there are few studies in the literature that evaluate its properties. In this study, detailed chemical and antioxidant properties of Buriti oil were determined. The predominant fatty acid was oleic acid (65.6% and the main triacylglycerol classes were tri-unsaturated (50.0% and di-unsaturated-mono-saturated (39.3% triacylglycerols. The positional distribution of the classes of fatty acids on the triacylglycerol backbone indicated a saturated and unsaturated fatty acid relationship similar in the three-triacylglycerol positions. All tocopherol isomers were present, with a total content of 2364.1 mg·kg−1. α-tocopherol constitutes 48% of the total tocopherol content, followed by γ- tocopherol (45%. Total phenolic (107.0 mg gallic acid equivalent·g−1 oil and β-carotene (781.6 mg·kg−1 were particularly high in this oil. The highest antioxidant activity against the free radical 1,1-diphenyl-2-picrylhydrazyl (DPPH was obtained at an oil concentration of 50 mg·mL−1 (73.15%. The antioxidant activity evaluated by the Oxygen Radical Absorbance Capacity (ORAC was 95.3 μmol Trolox equivalent·g−1 oil. These results serve to present Buriti oil as an Amazonian resource for cosmetic, food and pharmaceuticals purposes.El aceite de Buriti es un ejemplo de aceite de palma amazónica de gran importancia económica. La población local utiliza este aceite para la prevención y el tratamiento de diferentes enfermedades; sin embargo, hay pocos estudios científicos que evalúen sus propiedades. En este estudio, se determinaron las propiedades antioxidantes del aceite de Buriti. El ácido graso predominante fue el oleico (65,6 % y las principales clases de triglicéridos fueron tri-insaturadas (50,0 % y Di-insaturados-mono-saturada (39,3 %. La distribución posicional de las

  16. Optimization methods for characterization of single particles from light scattering patterns

    Directory of Open Access Journals (Sweden)

    M. A. Yurkin

    2011-09-01

    Full Text Available We address the inverse light-scattering problem for particles described by a several-parameters model, when experimental data are given as an angle-resolved lightscattering pattern (LSP. This problem is reformulated as an optimization (nonlinear regression problem, for which two solution methods are proposed. The first one is based on standard gradient optimization method, but with careful choice of the starting point. The second method is based on precalculated database of theoretical LSPs, from which the closest one to an experimental LSP is selected for characterization. We tested both methods for characterization of polystyrene microspheres using a scanning flow cytometer (SFC.

  17. Chemical Flooding in Heavy-Oil Reservoirs: From Technical Investigation to Optimization Using Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Si Le Van

    2016-09-01

    Full Text Available Heavy-oil resources represent a large percentage of global oil and gas reserves, however, owing to the high viscosity, enhanced oil recovery (EOR techniques are critical issues for extracting this type of crude oil from the reservoir. According to the survey data in Oil & Gas Journal, thermal methods are the most widely utilized in EOR projects in heavy oil fields in the US and Canada, and there are not many successful chemical flooding projects for heavy oil reported elsewhere in the world. However, thermal methods such as steam injection might be restricted in cases of thin formations, overlying permafrost, or reservoir depths over 4500 ft, for which chemical flooding becomes a better option for recovering crude oil. Moreover, owing to the considerable fluctuations in the oil price, chemical injection plans should be employed consistently in terms of either technical or economic viewpoints. The numerical studies in this work aim to clarify the predominant chemical injection schemes among the various combinations of chemical agents involving alkali (A, surfactant (S and polymer (P for specific heavy-oil reservoir conditions. The feasibilities of all potential injection sequences are evaluated in the pre-evaluation stage in order to select the most efficient injection scheme according to the variation in the oil price which is based on practical market values. Finally, optimization procedures in the post-evaluation stage are carried out for the most economic injection plan by an effective mathematic tool with the purpose of gaining highest Net Present Value (NPV of the project. In technical terms, the numerical studies confirm the predominant performances of sequences in which alkali-surfactant-polymer (ASP solution is injected after the first preflushing water whereby the recovery factor can be higher than 47%. In particular, the oil production performances are improved by injecting a buffering viscous fluid right after the first chemical slug

  18. Chemical Characterization of Different Sumac and Pomegranate Extracts Effective against Botrytis cinerea Rots

    OpenAIRE

    Romeo, Flora V.; Gabriele Ballistreri; Simona Fabroni; Sonia Pangallo; Maria Giulia Li Destri Nicosia; Leonardo Schena; Paolo Rapisarda

    2015-01-01

    Pomegranate (Punica granatum L.) peel and sumac (Rhus coriaria L.) fruit and leaf extracts were chemically characterized and their ability to inhibit table grape (cv. Italia) rots caused by Botrytis cinerea was evaluated on artificially inoculated berries. Different extraction methods were applied and extracts were characterized through Ultra Fast High Performance Liquid Chromatography coupled to Photodiode array detector and Electrospray ionization Mass spectrometer (UPLC-PDA-ESI/MSn) for th...

  19. Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

    Science.gov (United States)

    Bai, Peng; Jeon, Mi Young; Ren, Limin; Knight, Chris; Deem, Michael W.; Tsapatsis, Michael; Siepmann, J. Ilja

    2015-01-01

    Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure. To date, 213 framework types have been synthesized and >330,000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modelling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds.

  20. Optimal fractionation and bioassay plans for isolation of synergistic chemicals: The subtractive-combination method.

    Science.gov (United States)

    Byers, J A

    1992-09-01

    Studies of chemical ecology of an organism are founded on the isolation and identification of a semiochemical, often comprised of two or more synergistic compounds (each Synergist alone has little activity, but presented together they are bioactive). Chromatographie fractionation and bioassay methods of binary splitting, additive combination, and subtractive combination are compared for efficiency in isolating synergists. Formulas are derived for the latter two methods that calculate the expected number of bioassay tests required for isolation of from two to five synergists from biological extracts with any number of compounds, depending on the number of initial (major) Chromatographic fractions. A computer program based on the formulas demonstrates the superiority of the subtractive-combination method. Simulations with the program were used to determine the optimal number of initial fractions for the additive- and subtractive-combination methods when isolating two to five synergists from extracts of from 25 to 1200 compounds. Methods of bioassay, isolation, identification, and field testing of semiochemicals are discussed.

  1. Synthesis of Codon-optimized Human Interleukin-18 Gene by Combination of Chemical and Enzymatic Method

    Institute of Scientific and Technical Information of China (English)

    GAO Chao-hui; SHI Xiao-yue; HOU Xin-tong; MENG Qing-fan; Zhang Ying-jiu; TENG Li-rong

    2008-01-01

    According to the amino acid sequence and codon preference of E,coli,the human interleukin-18(IL-18)gene was optimized to avoid the rare codons,The total length of the synthesized gene is 571 bp;18 oligonucleotides,DNA fragments were designed and synthesized by the phosphoramidite four-step chemical method,The whole DNAsequence was synthesized by a one-step total gene synthesis method,and then inserted in pUC18 vector,Five positive clones identified by blue-white colony screening were sent to Shanghai Sangon Biological Engineering Technology and Service Co.,Ltd,for sequencing,The sequencing result shows that one clone contained the complete correct gene in all the five positive clones.

  2. Optimization of the Chemical Composition of Cast Iron Used for Casting Ball Bearing Grinding Disks

    Institute of Scientific and Technical Information of China (English)

    Aurel Crisan; Sorin Ion; Munteanu; Ioan Ciobanu; Iulian Riposan

    2008-01-01

    The chemical composition of cast iron used for casting ball bearing machining disks was varied to optimize the properties such as castability, hardenability, and durability in ball machining. The cast iron characteristics were most strongly dependent on the Ni content and the carbon saturation degree, So. This paper describes the types of test specimens, the working conditions, and the experimental results. The in-crease of the degree of carbon saturation reduces the tendency to form shrinkholes in the castings. The de-crease in the Ni content negatively affects the final hardening treatment. A way to control solidification de-fects in cast iron, by reducing the Ni content, has been verified on cast disks.

  3. Modelling and optimization of film thickness variation for plasma enhanced chemical vapour deposition processes

    Science.gov (United States)

    Waddell, Ewan; Gibson, Des; Lin, Li; Fu, Xiuhua

    2011-09-01

    This paper describes a method for modelling film thickness variation across the deposition area within plasma enhanced chemical vapour deposition (PECVD) processes. The model enables identification and optimization of film thickness uniformity sensitivities to electrode configuration, temperature, deposition system design and gas flow distribution. PECVD deposition utilizes a co-planar 300mm diameter electrodes with separate RF power matching to each electrode. The system has capability to adjust electrode separation and electrode temperature as parameters to optimize uniformity. Vacuum is achieved using dry pumping with real time control of butterfly valve position for active pressure control. Comparison between theory and experiment is provided for PECVD of diamond-like-carbon (DLC) deposition onto flat and curved substrate geometries. The process utilizes butane reactive feedstock with an argon carrier gas. Radiofrequency plasma is used. Deposited film thickness sensitivities to electrode geometry, plasma power density, pressure and gas flow distribution are demonstrated. Use of modelling to optimise film thickness uniformity is demonstrated. Results show DLC uniformity of 0.30% over a 200 mm flat zone diameter within overall electrode diameter of 300mm. Thickness uniformity of 0.75% is demonstrated over a 200mm diameter for a non-conformal substrate geometry. Use of the modelling method for PECVD using metal-organic chemical vapour deposition (MOCVD) feedstock is demonstrated, specifically for deposition of silica films using metal-organic tetraethoxy-silane. Excellent agreement between experimental and theory is demonstrated for conformal and non-conformal geometries. The model is used to explore scalability of PECVD processes and trade-off against film thickness uniformity. Application to MEMS, optical coatings and thin film photovoltaics is discussed.

  4. Optimized network of multi-walled carbon nanotubes for chemical sensing

    Science.gov (United States)

    Gohier, A.; Chancolon, J.; Chenevier, P.; Porterat, D.; Mayne-L'Hermite, M.; Reynaud, C.

    2011-03-01

    This work reports the design of a resistive gas sensor based on 2D mats of multi-walled carbon nanotubes (MWCNTs) grown by aerosol-assisted chemical vapour deposition. The sensor sensitivity was optimized using chlorine as analyte by tuning both CNT network morphology and CNT electronic properties. Optimized devices, operating at room temperature, have been calibrated over a large range of concentration and are shown to be sensitive down to 27 ppb of chlorine. The as-grown MWCNT response is compared with responses of 2000 °C annealed CNTs, as well as of nitrogen-doped CNTs and CNTs functionalized with polyethyleneimine (PEI). Under chlorine exposure, the resistance decrease of as-grown and annealed CNTs is attributed to charge transfer from chlorine to CNTs and demonstrates their p-type semiconductor behaviour. XPS analysis of CNTs exposed to chlorine shows the presence of chloride species that confirms electron charge transfer from chlorine to CNTs. By contrast, the resistance of nitrogen-doped and PEI functionalized CNTs exposed to chlorine increases, in agreement with their n-type semiconductor nature. The best response is obtained using annealed CNTs and is attributed to their higher degree of crystallinity.

  5. Discovery of optimal zeolites for challenging separations and chemical conversions through predictive materials modeling

    Science.gov (United States)

    Siepmann, J. Ilja; Bai, Peng; Tsapatsis, Michael; Knight, Chris; Deem, Michael W.

    2015-03-01

    Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation medium and catalyst depends on its framework structure and the type or location of active sites. To date, 213 framework types have been synthesized and >330000 thermodynamically accessible zeolite structures have been predicted. Hence, identification of optimal zeolites for a given application from the large pool of candidate structures is attractive for accelerating the pace of materials discovery. Here we identify, through a large-scale, multi-step computational screening process, promising zeolite structures for two energy-related applications: the purification of ethanol beyond the ethanol/water azeotropic concentration in a single separation step from fermentation broths and the hydroisomerization of alkanes with 18-30 carbon atoms encountered in petroleum refining. These results demonstrate that predictive modeling and data-driven science can now be applied to solve some of the most challenging separation problems involving highly non-ideal mixtures and highly articulated compounds. Financial support from the Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-12ER16362 is gratefully acknowledged.

  6. Nanostructural and Chemical Characterization of Supported Metal Oxide Catalysts by Aberration Corrected Analytical Electron Microscopy

    Science.gov (United States)

    Zhou, Wu

    In this thesis, aberration corrected STEM imaging and chemical analysis techniques have been extensively applied in the structural and chemical characterization of supported tungsten oxide catalysts in an attempt to reveal the structure-activity relationships at play in these catalyst systems. The supported WO3/ZrO2 solid acid catalyst system is a major focal point of this thesis, and detailed aberration-corrected STEM-HAADF imaging studies were performed on a systematic set of catalysts showing different level of catalytic performance. The nature of the catalytically most active WOx species was identified by correlating structural information, obtained from STEM-HAADF and in-situ optical spectroscopy studies, with catalytic testing results. Specifically, ˜1nm distorted Zr-WOx mixed oxide clusters were identified to be the most active species for both the methanol dehydration and n-pentane isomerization reactions in the WO3/ZrO2 catalyst system. The use of amorphous zirconia as a precursor support material makes it much easier to extract and incorporate Zr cations into the surface WOx clusters during calcination. The calcination temperature was also identified to also play an important role in the formation of these most active Zr-WOx clusters. When the calcination temperature is comparable to or higher than the 896K Huttig temperature of ZrO2 (at which surface ZrO x species have sufficient mobility to agglomerate and sinter), the chance for successful surface WOx and ZrOx intermixing is significantly increased. Based on this perceived structure-activity relationship, several new catalyst synthesis strategies were developed in an attempt to optimize the catalytic performance of WOx-based catalysts. We have demonstrated in Chapter 3 that co-impregnation of WOx and ZrOx precursors onto an inactive model WO3/ZrO2 catalyst, followed by a calcination treatment above the 896K Huttig temperature of ZrO 2, promotes the surface diffusion of ZrO2 and intermixing of Zr

  7. Growth Characterization and Optimization of Cyanobacterial Isolates from the Arabian Gulf

    KAUST Repository

    Siller Rodriguez, Luis F.

    2013-12-01

    Photoautotrophic organisms have been highlighted as carbon capture and conversion platforms for sustainable production of agricultural and chemicals in KSA. Previously two cyanobacterial strains, Geitlerinema spp. CT7801 and CT7802, were isolated from an industrial brine outfall site in the Eastern Province of the Kingdom of Saudi Arabia. Initial characterization of their growth characteristics showed growth at high temperature (38 ºC) and high salinity ( > 60 PSU), making them potentially good candidates for industrial applications. In this study, quantitative growth assays were performed using standardized methods developed for the analysis of Red Sea photosynthetic microorganisms supported by microscopic observations, optimal growth media preference assays, CO2 concentration effect, photoperiod effect, mixotrophic and heterotrophic growth tests. Data was recorded for absorbance (600 and 750 nm wave lenght), dry cell weight (DCW), colorimetric observations, and chlorophyll a content. Both CT7801 and CT7802 exhibited a clear preference for Walne\\'s Red Sea medium. An analysis on media composition highlights B and Fe as growth enhancers, as well as a base requirement of seawater. Tests on the effect of supplied concentration of CO2 showed that air enhanced with 1 % v/v CO2 allows approximately 2-fold increase in DCW for Geitlerinema spp. CT7802. Photoperiod tests showed that continuous light is disadvantageous for phototrophic growth of Geitlerinema spp. CT7801 and CT7802. Results for mixotrophic and heterotrophic growth of Geitlerinema spp. CT7801 and CT7802 revealed their ability to metabolize glycerol. Analysis on the complete genome of CT7802 identified three key enzymes, glycerol kinase, glycerol-3-phosphate dehydrogenase and triosephosphate isomerase, which may catalyze the glycerol metabolic pathway in the strain. Utilization of glycerol, a residue of the biodiesel industry, might provide a sustainable alternative for growth of Geitlerinema sp. CT7802.

  8. Solid-phase microextraction/gas chromatography-mass spectrometry method optimization for characterization of surface adsorption forces of nanoparticles.

    Science.gov (United States)

    Omanovic-Miklicanin, Enisa; Valzacchi, Sandro; Simoneau, Catherine; Gilliland, Douglas; Rossi, Francois

    2014-10-01

    A complete characterization of the different physico-chemical properties of nanoparticles (NPs) is necessary for the evaluation of their impact on health and environment. Among these properties, the surface characterization of the nanomaterial is the least developed and in many cases limited to the measurement of surface composition and zetapotential. The biological surface adsorption index approach (BSAI) for characterization of surface adsorption properties of NPs has recently been introduced (Xia et al. Nat Nanotechnol 5:671-675, 2010; Xia et al. ACS Nano 5(11):9074-9081, 2011). The BSAI approach offers in principle the possibility to characterize the different interaction forces exerted between a NP's surface and an organic--and by extension biological--entity. The present work further develops the BSAI approach and optimizes a solid-phase microextraction gas chromatography-mass spectrometry (SPME/GC-MS) method which, as an outcome, gives a better-defined quantification of the adsorption properties on NPs. We investigated the various aspects of the SPME/GC-MS method, including kinetics of adsorption of probe compounds on SPME fiber, kinetic of adsorption of probe compounds on NP's surface, and optimization of NP's concentration. The optimized conditions were then tested on 33 probe compounds and on Au NPs (15 nm) and SiO2 NPs (50 nm). The procedure allowed the identification of three compounds adsorbed by silica NPs and nine compounds by Au NPs, with equilibrium times which varied between 30 min and 12 h. Adsorption coefficients of 4.66 ± 0.23 and 4.44 ± 0.26 were calculated for 1-methylnaphtalene and biphenyl, compared to literature values of 4.89 and 5.18, respectively. The results demonstrated that the detailed optimization of the SPME/GC-MS method under various conditions is a critical factor and a prerequisite to the application of the BSAI approach as a tool to characterize surface adsorption properties of NPs and therefore to draw any further

  9. Chemical Characterization, Antioxidant and Enzymatic Activity of Brines from Scandinavian Marinated Herring Products

    DEFF Research Database (Denmark)

    Gringer, Nina; Osman, Ali; Nielsen, Henrik Hauch;

    2014-01-01

    Brines generated during the last marination step in the production of marinated herring (Clupea harengus) were chemically characterized and analyzed for antioxidant and enzyme activities. The end-products were vinegar cured, spice cured and traditional barrel-salted herring with either salt...

  10. Extraction and Characterization of Chemical Compounds in Coelaenomenodera elaeidis (Coleoptera: Chrysomelidae)

    Science.gov (United States)

    To elucidate the characterization of probable pheromone chemical compounds in Coelaenomenodera elaeidis Mlk., volatile samples were collected and subjected to gas chromatographic-mass spectrometric analyses. These compounds were contained in active fractions: Butylated hydroxytoluene (C15H24O); 4, 4...

  11. CHARACTERIZATION OF ACTIVATED CARBONS' PHYSICAL AND CHEMICAL PROPERTIES IN RELATION TO THEIR MERCURY ADSORPTION

    Science.gov (United States)

    The paper gives results of a characterization of the physical and chemical properties of the activated carbons used for elemental mercury (Hgo) adsorption, in order to understand the role of oxygen surface functional groups on the mechanism of Hgo adsorption by activated carbons....

  12. Nanostructured PLD-grown gadolinia doped ceria: Chemical and structural characterization by transmission electron microscopy techniques

    DEFF Research Database (Denmark)

    Rodrigo, Katarzyna Agnieszka; Wang, Hsiang-Jen; Heiroth, Sebastian;

    2011-01-01

    The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss spec...

  13. Application of integrated reservoir management and reservoir characterization to optimize infill drilling, Class II

    Energy Technology Data Exchange (ETDEWEB)

    Bergeron, Jack; Blasingame, Tom; Doublet, Louis; Kelkar, Mohan; Freeman, George; Callard, Jeff; Moore, David; Davies, David; Vessell, Richard; Pregger, Brian; Dixon, Bill; Bezant, Bryce

    2000-03-16

    The major purpose of this project was to demonstrate the use of cost effective reservoir characterization and management tools that will be helpful to both independent and major operators for the optimal development of heterogeneous, low permeability carbonate reservoirs such as the North Robertson (Clearfork) Unit.

  14. Recycling-oriented characterization of plastic frames and printed circuit boards from mobile phones by electronic and chemical imaging.

    Science.gov (United States)

    Palmieri, Roberta; Bonifazi, Giuseppe; Serranti, Silvia

    2014-11-01

    This study characterizes the composition of plastic frames and printed circuit boards from end-of-life mobile phones. This knowledge may help define an optimal processing strategy for using these items as potential raw materials. Correct handling of such a waste is essential for its further "sustainable" recovery, especially to maximize the extraction of base, rare and precious metals, minimizing the environmental impact of the entire process chain. A combination of electronic and chemical imaging techniques was thus examined, applied and critically evaluated in order to optimize the processing, through the identification and the topological assessment of the materials of interest and their quantitative distribution. To reach this goal, end-of-life mobile phone derived wastes have been systematically characterized adopting both "traditional" (e.g. scanning electronic microscopy combined with microanalysis and Raman spectroscopy) and innovative (e.g. hyperspectral imaging in short wave infrared field) techniques, with reference to frames and printed circuit boards. Results showed as the combination of both the approaches (i.e. traditional and classical) could dramatically improve recycling strategies set up, as well as final products recovery.

  15. Optimization of Pre-treatment Process of Cocoa Pod Husk Using Various Chemical Solvents

    Directory of Open Access Journals (Sweden)

    Novizar Nazir

    2016-06-01

    Full Text Available The purpose of research is to see the effect of type of reagent (NaOH, H2O2 and H2SO4 and the condition of  pre-treatment  of cocoa pod husk towards lignin content after pre-treatment and hydrolysis,  reducing sugar and total sugar content.  Response Surface Method (RSM was used to optimize process conditions of pre-treatment (delignification.  Hydrolysis for all pre-treated sample were carried out using 3% H2SO4 with a ratio of cocoa pod husk to solvent (1:10  for 2 hours at a temperature of 110 oC using an autoclave.  The chemical  pre-treatment with NaOH was optimized by varying the  concentrations of NaOH (4-8% (w/v, centre point: 6%,  reaction time (60-100 minutes, centre point: 80 minutes and ratio of biomass to solvent (1:15-1:25, centre point 1:20 w/v.  The optimum conditions in this study was at the concentration of NaOH (X1 of 4% w/v, reaction time  (X2 of 100 minutes; ratio of biomass/solvent  (X3 of 1:25 (w/v.   The lignin content after pre-treatment was  15.03% lignin, lignin content after hydrolysis was  19.57%,  11.75% of reducing sugar, and 12.78% of total sugar. The chemical  pre-treatment with alkaline peroxide  (H2O2  was optimized by varying the  concentrations of H2O2  (4-7% w/v, centre point 5.5% (w/v,  reaction time (40-90 minutes, centre point: 65 minutes, and ratio of biomass/solvent (4-7% w/v.   The optimum conditions in this study was at the concentration of H2O2 concentration (X1 of 5.52% w/v, reaction time (X2 of 61.97 minutes, biomass loading in solvent (X3 7% w/v.  The lignin content after pre-treatment was  8.759, lignin content after  hydrolysis was 25.029%,  8.169%  of reducing sugar, and 10.371% of total sugar.  The chemical pre-treatment with H2SO4  was optimized by varying the  concentrations of H2SO4  (0.5-1.5% w/v,  reaction time (60-120 minutes, centre point: 90 minutes, and ratio of biomass to solvent (1:4-1:6 w/v, centre point 1:5 w/v. The

  16. An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

    Science.gov (United States)

    Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

    2014-01-01

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

  17. NOVEL PREPARATION AND MAGNETO CHEMICAL CHARACTERIZATION OF NANOPARTICLE MIXED ALCOHOL CATALYSTS

    Energy Technology Data Exchange (ETDEWEB)

    Seetala V. Naidu; Upali Siriwardane

    2005-05-24

    introducing a novel method of nanoparticle metal oxide co-entrapped sol-gel that gave the highest metal loading with precise control and reproducibility, and greater mechanical strength of granules than the metal nitrate solution co-entrapping and wet impregnation methods. Both, slurry-phase-batch and gas-phase-continuous-flow, reactors were used for syngas conversion reactions. Our investigations of Co and Fe thin film deposited micro-reactors showed higher CO/H{sub 2} conversion for Fe compared to Co. The catalytic activity for CO/H{sub 2} conversion was observed in the increasing order for the nanocatalysts Cu, Co, Fe, Co/Fe, Cu/Co and Cu/Fe in alumina sol-gel support, and Co/Fe showed the highest yield for methane. The optimization of CO/H{sub 2} ratio indicated that 1:1 ratio gave more alkanes distribution in F-T process with Co/Fe (6% each) impregnated on alumina. We could estimate the activity of catalysts (involving Co, Fe) during hydrogenation and after catalytic reaction using magnetization studies. In summary our accomplishments are: (1) Novel chemical methods for the synthesis of (5 nm) Fe, Co, Cu nanoparticles with narrow size distribution. (2) Developing a method of metal oxide nanoparticles addition to alumina/silica sol-gel to control metal loading of pure and mixed metal catalysts compositions in high yields. (3) A low-cost GC-TCD system to analyze wide spectrum of alkanes (F-T reaction products). (4) Fe/Co mixed metal alumina/silica mesoporous catalysts with higher FT activity. (5) Characterizing nanoparticle catalysts and supports for detail understanding of FT-process.

  18. Optimization of parameters by Taguchi method for controlling purity of carbon nanotubes in chemical vapour deposition technique.

    Science.gov (United States)

    Dasgupta, K; Sen, D; Mazumder, S; Basak, C B; Joshi, J B; Banerjee, S

    2010-06-01

    The process parameters (viz. temperature of synthesis, type of catalyst, concentration of catalyst and type of catalyst-support material) for controlling purity of carbon nanotubes synthesized by catalytic chemical vapour deposition of acetylene have been optimized by analyzing the experimental results using Taguchi method. It has been observed that the catalyst-support material has the maximum (59.4%) and the temperature of synthesis has the minimum effect (2.1%) on purity of the nanotubes. At optimum condition (15% ferrocene supported on carbon black at the synthesis temperature of 700 degrees C) the purity of nanotubes was found out to be 96.2% with yield of 1900%. Thermogravimetry has been used to assess purity of nanotubes. These nantubes have been further characterized by scanning electron microscopy, transmission electron microscopy and Raman Spectroscopy. Small angle neutron scattering has been used to find out their average inner and outer diameter using an appropriate model. The nanotubes are well crystallized but with wide range of diameter varying between 20-150 nm.

  19. Chemical fractionation and speciation modelling for optimization of ion-exchange processes to recover palladium from industrial wastewater.

    Science.gov (United States)

    Folens, K; Van Hulle, S; Vanhaecke, F; Du Laing, G

    2016-01-01

    Palladium is used in several industrial applications and, given its high intrinsic value, intense efforts are made to recover the element. In this hydrometallurgic perspective, ion-exchange (IEX) technologies are principal means. Yet, without incorporating the chemical and physical properties of the Pd present in real, plant-specific conditions, the recovery cannot reach its technical nor economic optimum. This study characterized a relevant Pd-containing waste stream of a mirror manufacturer to provide input for a speciation model, predicting the Pd speciation as a function of pH and chloride concentration. Besides the administered neutral PdCl2 form, both positively and negatively charged [PdCln](2-n) species occur depending on the chloride concentration in solution. Purolite C100 and Relite 2AS IEX resins were selected and applied in combination with other treatment steps to optimize the Pd recovery. A combination of the cation and anion exchange resins was found successful to quantitatively recover Pd. Given the fact that Pd was also primarily associated with particles, laboratory-scale experiments focused on physical removal of the Pd-containing flow were conducted, which showed that particle-bound Pd can already be removed by physical pre-treatment prior to IEX, while the ionic fraction remains fully susceptible to the IEX mechanism.

  20. Radiological, physical, and chemical characterization of transuranic wastes stored at the Idaho National Engineering Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

    1994-03-01

    This document provides radiological, physical and chemical characterization data for transuranic radioactive wastes and transuranic radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program (PSPI). Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 139 waste streams which represent an estimated total volume of 39,380{sup 3} corresponding to a total mass of approximately 19,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats Plant generated waste forms stored at the INEL are provided to assist in facility design specification.

  1. Optimization and characterization of biomolecule immobilization on silicon substrates using (3-aminopropyl)triethoxysilane (APTES) and glutaraldehyde linker

    Energy Technology Data Exchange (ETDEWEB)

    Gunda, Naga Siva Kumar [Department of Mechanical Engineering, University of Alberta, Edmonton, Canada T6G 2G8 (Canada); Singh, Minashree [Department of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Canada T6G 1C9 (Canada); Norman, Lana [Department of Chemical and Materials Engineering, University of Alberta, Edmonton, AB, Canada T6G 2V4 (Canada); Kaur, Kamaljit [Department of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Canada T6G 1C9 (Canada); Mitra, Sushanta K., E-mail: sushanta.mitra@ualberta.ca [Department of Mechanical Engineering, University of Alberta, Edmonton, Canada T6G 2G8 (Canada)

    2014-06-01

    In the present work, we developed and optimized a technique to produce a thin, stable silane layer on silicon substrate in a controlled environment using (3-aminopropyl)triethoxysilane (APTES). The effect of APTES concentration and silanization time on the formation of silane layer is studied using spectroscopic ellipsometry and Fourier transform infrared spectroscopy (FTIR). Biomolecules of interest are immobilized on optimized silane layer formed silicon substrates using glutaraldehyde linker. Surface analytical techniques such as ellipsometry, FTIR, contact angle measurement system, and atomic force microscopy are employed to characterize the bio-chemically modified silicon surfaces at each step of the biomolecule immobilization process. It is observed that a uniform, homogenous and highly dense layer of biomolecules are immobilized with optimized silane layer on the silicon substrate. The developed immobilization method is successfully implemented on different silicon substrates (flat and pillar). Also, different types of biomolecules such as anti-human IgG (rabbit monoclonal to human IgG), Listeria monocytogenes, myoglobin and dengue capture antibodies were successfully immobilized. Further, standard sandwich immunoassay (antibody–antigen–antibody) is employed on respective capture antibody coated silicon substrates. Fluorescence microscopy is used to detect the respective FITC tagged detection antibodies bound to the surface after immunoassay.

  2. Optimization and characterization of biomolecule immobilization on silicon substrates using (3-aminopropyl)triethoxysilane (APTES) and glutaraldehyde linker

    Science.gov (United States)

    Gunda, Naga Siva Kumar; Singh, Minashree; Norman, Lana; Kaur, Kamaljit; Mitra, Sushanta K.

    2014-06-01

    In the present work, we developed and optimized a technique to produce a thin, stable silane layer on silicon substrate in a controlled environment using (3-aminopropyl)triethoxysilane (APTES). The effect of APTES concentration and silanization time on the formation of silane layer is studied using spectroscopic ellipsometry and Fourier transform infrared spectroscopy (FTIR). Biomolecules of interest are immobilized on optimized silane layer formed silicon substrates using glutaraldehyde linker. Surface analytical techniques such as ellipsometry, FTIR, contact angle measurement system, and atomic force microscopy are employed to characterize the bio-chemically modified silicon surfaces at each step of the biomolecule immobilization process. It is observed that a uniform, homogenous and highly dense layer of biomolecules are immobilized with optimized silane layer on the silicon substrate. The developed immobilization method is successfully implemented on different silicon substrates (flat and pillar). Also, different types of biomolecules such as anti-human IgG (rabbit monoclonal to human IgG), Listeria monocytogenes, myoglobin and dengue capture antibodies were successfully immobilized. Further, standard sandwich immunoassay (antibody-antigen-antibody) is employed on respective capture antibody coated silicon substrates. Fluorescence microscopy is used to detect the respective FITC tagged detection antibodies bound to the surface after immunoassay.

  3. Recent advances in the development of capillary electrophoresis methodologies for optimizing, controlling, and characterizing the synthesis, functionalization, and physicochemical, properties of nanoparticles.

    Science.gov (United States)

    Trapiella-Alfonso, Laura; d'Orlyé, Fanny; Varenne, Anne

    2016-04-01

    This paper gives a critical overview of capillary electrophoresis (CE) methodologies recently developed for controlling and optimizing the synthesis of nanoparticles as well as characterizing their functionalization in terms of physicochemical properties. Thanks to their electrophoretic mobility, various parameters can be determined, such as NP size and charge distribution, ζ-potential, surface functionality, colloidal stability, grafting rates, and dissociation constants, allowing not only the complete characterization of new nanoprobes but also helping in their design and in the selection of chemical conditions for their storage and further manipulation. New strategies for the improvement of CE detection sensitivity are also described.

  4. Rapid Characterization of Woody Biomass Digestibility and Chemical Composition Using Near-infrared Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Shen Hou; Laigeng Li

    2011-01-01

    Rapid determination of the properties of lignocellulosic material is highly desirable for biomass production and utilization. In the present study, measurements of woody biomass digestibility and chemical composition using near-infrared reflectance (NIR) spectroscopy were calibrated. Poplar and eucalyptus materials were recorded in NIR spectrum as well as determined for their chemical compositions of Klason lignin, α-celluiose, holocellulose, lignin syringyl/guaiacyl (S/G) ratio and enzymatic digestibility. Fitting of the NIR information with chemical properties and digestibility by partial least-squares (PLS) regression generated a group of trained NIR models that were able to be used for rapid biomass measurement. Applying the models for woody biomass measurements led to a reliable evaluation of the chemical composition and digestibility, suggesting the feasibility of using NIR spectroscopy in the rapid characterization of biomass properties.

  5. Characterization of Chemical Suicides in the United States and Its Adverse Impact on Responders and Bystanders

    Directory of Open Access Journals (Sweden)

    Ayana R. Anderson

    2016-11-01

    Full Text Available Introduction: A suicide trend that involves mixing household chemicals to produce hydrogen sulfide or hydrogen cyanide, commonly referred to as a detergent, hydrogen sulfide, or chemical suicide is a continuing problem in the United States (U.S.. Because there is not one database responsible for tracking chemical suicides, the actual number of incidents in the U.S. is unknown. To prevent morbidity and mortality associated with chemical suicides, it is important to characterize the incidents that have occurred in the U.S. Methods: The author analyzed data from 2011-2013 from state health departments participating in the Agency for Toxic Substances and Disease Registry’s National Toxic Substance Incidents Program (NTSIP. NTSIP is a web-based chemical incident surveillance system that tracks the public health consequences (e.g., morbidity, mortality from acute chemical releases. Reporting sources for NTSIP incidents typically include first responders, hospitals, state environmental agencies, and media outlets. To find chemical suicide incidents in NTSIP’s database, the author queried open text fields in the comment, synopsis, and contributing factors variables for potential incidents. Results: Five of the nine states participating in NTSIP reported a total of 22 chemical suicide incidents or attempted suicides during 2011-2013. These states reported a total of 43 victims: 15 suicide victims who died, seven people who attempted suicide but survived, eight responders, and four employees working at a coroner’s office; the remainder were members of the general public. None of the injured responders reported receiving HazMat technician-level training, and none had documented appropriate personal protective equipment. Conclusion: Chemical suicides produce lethal gases that can pose a threat to responders and bystanders. Describing the characteristics of these incidents can help raise awareness among responders and the public about the dangers of

  6. Caustic-Side Solvent Extraction: Chemical and Physical Properties of the Optimized Solvent

    Energy Technology Data Exchange (ETDEWEB)

    Delmau, L.H.

    2002-10-08

    This work was undertaken to optimize the solvent used in the Caustic Side Solvent Extraction (CSSX) process and to measure key chemical and physical properties related to its performance in the removal of cesium from the alkaline high-level salt waste stored in tanks at the Savannah River Site. The need to adjust the solvent composition arose from the prior discovery that the previous baseline solvent was supersaturated with respect to the calixarene extractant. The following solvent-component concentrations in Isopar{reg_sign} L diluent are recommended: 0.007 M calix[4]arene-bis(tert-octylbenzo-crown-6) (BOBCalixC6) extractant, 0.75 M 1-(2,2,3,3-tetrafluoropropoxy)-3-(4-sec-butylphenoxy)-2-propanol (Cs-7SB) phase modifier, and 0.003 M tri-n-octylamine (TOA) stripping aid. Criteria for this selection included BOBCalixC6 solubility, batch cesium distribution ratios (D{sub Cs}), calculated flowsheet robustness, third-phase formation, coalescence rate (dispersion numbers), and solvent density. Although minor compromises within acceptable limits were made in flowsheet robustness and solvent density, significant benefits were gained in lower risk of third-phase formation and lower solvent cost. Data are also reported for the optimized solvent regarding the temperature dependence of D{sub Cs} in extraction, scrubbing, and stripping (ESS); ESS performance on recycle; partitioning of BOBCalixC6, Cs-7SB, and TOA to aqueous process solutions; partitioning of organic anions; distribution of metals; solvent phase separation at low temperatures; solvent stability to elevated temperatures; and solvent density and viscosity. Overall, the technical risk of the CSSX process has been reduced by resolving previously identified issues and raising no new issues.

  7. 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.

  8. Optimization of solvent extraction of shea butter (Vitellaria paradoxa) using response surface methodology and its characterization.

    Science.gov (United States)

    Ajala, E O; Aberuagba, F; Olaniyan, A M; Onifade, K R

    2016-01-01

    Shea butter (SB) was extracted from its kernel by using n-hexane as solvent in an optimization study. This was to determine the optima operating variables that would give optimum yield of SB and to study the effect of solvent on the physico-chemical properties and chemical composition of SB extracted using n-hexane. A Box-behnken response surface methodology (RSM) was used for the optimization study while statistical analysis using ANOVA was used to test the significance of the variables for the process. The variables considered for this study were: sample weight (g), solvent volume (ml) and extraction time (min). The physico-chemical properties of SB extracted were determined using standard methods and Fourier Transform Infrared Spectroscopy (FTIR) for the chemical composition. The results of RSM analysis showed that the three variables investigated have significant effect (p butter extracted using traditional method (SBT) showed that it is a more suitable raw material for food, biodiesel production, cosmetics, medicinal and pharmaceutical purposes than shea butter extracted using solvent extraction method (SBS). Fourier Transform Infrared Spectroscopy (FTIR) results obtained for the two samples were similar to what was obtainable from other vegetable oil.

  9. Application of mass spectrometry in the characterization of chemicals in coal-derived liquids.

    Science.gov (United States)

    Liu, Fang-Jing; Fan, Maohong; Wei, Xian-Yong; Zong, Zhi-Min

    2016-04-13

    Coal-derived liquids (CDLs) are primarily generated from pyrolysis, carbonization, gasification, direct liquefaction, low-temperature extraction, thermal dissolution, and mild oxidation. CDLs are important feedstocks for producing value-added chemicals and clean liquid fuels as well as high performance carbon materials. Accordingly, the compositional characterization of chemicals in CDLs at the molecular level with advanced analytical techniques is significant for the efficient utilization of CDLs. Although reviews on advancements have been rarely reported, great progress has been achieved in this area by using gas chromatography/mass spectrometry (GC/MS), two-dimensional GC-time of flight mass spectrometry (GC × GC-TOFMS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This review focuses on characterizing hydrocarbon, oxygen-containing, nitrogen-containing, sulfur-containing, and halogen-containing chemicals in various CDLs with these three mass spectrometry techniques. Small molecular (< 500 u), volatile and semi-volatile, and less polar chemicals in CDLs have been identified with GC/MS and GC × GC-TOFMS. By equipped with two-dimensional GC, GC × GC-TOFMS can achieve a clearly chromatographic separation of complex chemicals in CDLs without prior fractionation, and thus can overcome the disadvantages of co-elution and serious peak overlap in GC/MS analysis, providing much more compositional information. With ultrahigh resolving power and mass accuracy, FT-ICR MS reveals a huge number of compositionally distinct compounds assigned to various chemical classes in CDLs. It shows excellent performance in resolving and characterizing higher-molecular, less volatile, and polar chemicals that cannot be detected by GC/MS and GC × GC-TOFMS. The application of GC × GC-TOFMS and FT-ICR MS to chemical characterization of CDLs is not as prevalent as that of petroleum and largely remains to be developed in many respects

  10. Physico-chemical characterization of slag waste coming from GICC thermal power plant

    Energy Technology Data Exchange (ETDEWEB)

    Acosta, A.; Aineto, M.; Iglesias, I. [Laboratory of Applied Mineralogy, Universidad de Castilla-La Mancha, Ciudad Real Madrid (Spain); Romero, M.; Rincon, J.Ma. [The Glass-Ceramics Laboratory, Insituto Eduardo Torroja de Ciencias de la Construccion, CSIC, c/Serrano Galvache s/n, 28033, Madrid (Spain)

    2001-09-01

    The new gas installations of combined cycle (GICC) thermal power plants for production of electricity are more efficient than conventional thermal power plants, but they produce a high quantity of wastes in the form of slags and fly ashes. Nowadays, these by-products are stored within the production plants with, until now, no applications of recycling in other industrial processes. In order to evaluate the capability of these products for recycling in glass and ceramics inductory, an investigation for the full characterization has been made by usual physico-chemical methods such as: chemical analysis, mineralogical analysis by XRD, granulometry, BET, DTA/TG, heating microscopy and SEM/EDX.

  11. Geotechnical and Physico-Chemical Characterization of Low Lime Fly Ashes

    Directory of Open Access Journals (Sweden)

    Arif Ali Baig Moghal

    2013-01-01

    Full Text Available In order to explore the possibility of using low-lime fly ashes, the physical and chemical properties which have a direct bearing on their geotechnical and geoenvironmental behaviors have been investigated. In this paper, two types of low-lime fly ashes, originating from India, have been used. A brief account of various methods adopted in characterizing their physical, chemical, and geotechnical properties is presented. The relative importance of each of these properties in enhancing the bulk applicability of fly ashes has been brought out.

  12. Isolation and Characterization of the Chemical Constituents of Anacardium occidentale Cracked Bark

    Directory of Open Access Journals (Sweden)

    O. E. Fadeyi *

    2015-06-01

    Full Text Available The cracked bark of Anacardium occidentale were dried under ambient conditions, chopped into bits and the ethanolic extract of the cracked bark was obtained by cold extraction. Phytochemical screening was conducted to identify the types of secondary metabolites present using standard procedures. The profiles of the chemical constituents present were established using Thin Layer and Column Chromatography methods. Thus, pure chemical constituents were isolated from the cracked bark of Anacardium occidentale. The isolated compounds were characterized using FT-IR and their structures determined using data obtained from GC-MS spectrum.

  13. Optimization of Proteomic Sample Preparation Procedures for Comprehensive Protein Characterization of Pathogenic Systems

    Science.gov (United States)

    Mottaz-Brewer, Heather M.; Norbeck, Angela D.; Adkins, Joshua N.; Manes, Nathan P.; Ansong, Charles; Shi, Liang; Rikihisa, Yasuko; Kikuchi, Takane; Wong, Scott W.; Estep, Ryan D.; Heffron, Fred; Pasa-Tolic, Ljiljana; Smith, Richard D.

    2008-01-01

    Mass spectrometry-based proteomics is a powerful analytical tool for investigating pathogens and their interactions within a host. The sensitivity of such analyses provides broad proteome characterization, but the sample-handling procedures must first be optimized to ensure compatibility with the technique and to maximize the dynamic range of detection. The decision-making process for determining optimal growth conditions, preparation methods, sample analysis methods, and data analysis techniques in our laboratory is discussed herein with consideration of the balance in sensitivity, specificity, and biomass losses during analysis of host-pathogen systems. PMID:19183792

  14. Power optimization of chemically driven heat engine based on first and second order reaction kinetic theory and probability theory

    Science.gov (United States)

    Zhang, Lei; Chen, Lingen; Sun, Fengrui

    2016-03-01

    The finite-time thermodynamic method based on probability analysis can more accurately describe various performance parameters of thermodynamic systems. Based on the relation between optimal efficiency and power output of a generalized Carnot heat engine with a finite high-temperature heat reservoir (heat source) and an infinite low-temperature heat reservoir (heat sink) and with the only irreversibility of heat transfer, this paper studies the problem of power optimization of chemically driven heat engine based on first and second order reaction kinetic theory, puts forward a model of the coupling heat engine which can be run periodically and obtains the effects of the finite-time thermodynamic characteristics of the coupling relation between chemical reaction and heat engine on the power optimization. The results show that the first order reaction kinetics model can use fuel more effectively, and can provide heat engine with higher temperature heat source to increase the power output of the heat engine. Moreover, the power fluctuation bounds of the chemically driven heat engine are obtained by using the probability analysis method. The results may provide some guidelines for the character analysis and power optimization of the chemically driven heat engines.

  15. Optimization of hydrothermal pretreatment of wheat straw for production of bioethanol at low water consumption without addition of chemicals

    DEFF Research Database (Denmark)

    Østergaard Petersen, Mai; Larsen, Jan; Thomsen, Mette Hedegaard

    2009-01-01

    In the IBUS process (Integrated Biomass Utilization System) lignocellulosic biomass is converted into ethanol at high dry matter content without addition of chemicals and with a strong focus on energy efficiency. This study describes optimization of continuous hydrothermal pretreatment of wheat s...... cellulase mixtures - increasing to 92% when adding a commercial xylanase. (C) 2009 Elsevier Ltd. All rights reserved....

  16. On the optimal choice of wavelet function for multiscale honed surface characterization

    Energy Technology Data Exchange (ETDEWEB)

    Mezghani, S; Mansori, M El [Arts and Metiers ParisTech, LMPF, rue St Dominique - BP 508, 51006 Chalons-en-Champagne (France); Sabri, L [RENAULT S.A.S., Direction de la Mecanique/Direction de l' Ingenierie Process, Rueil Malmaison, Paris (France); Zahouani, H, E-mail: sabeur.mezghani@ensam.eu [Ecole Centrale de Lyon, LTDS UMR CNRS 5513, 36 avenue Guy de Collongue, 69131 Ecully Cedex (France)

    2011-08-19

    Multiscale surface topography characterization is mostly suited than standard approaches because it is more adapted to the multi-stage process generation. Wavelet transform represents a power tool to perform the multiscale decomposition of the surface topography in a wide range of wavelength. However, characterization results depend closely on the topography data acquisition instrument (resolution, height accuracy, sensitivity...) and also on the wavelet analysis method (discrete or continuous transform). In particular, the choice of wavelet function can have significant effect on the analysis results. In this paper, we present experimental work on a number of popular wavelets functions with the aim of finding wavelets that exhibit optimal description of honed surface features when continuous wavelet transform is used. We demonstrate that the regularity property of wavelet function has a significant influence on the characterization performances. This comparative study shows also that the Morlet wavelet is the more adapted wavelet basis function for multiscale characterization of honed surfaces using continuous wavelet transform.

  17. Chemical convection in the methylene-blue-glucose system: Optimal perturbations and three-dimensional simulations

    Science.gov (United States)

    Köllner, Thomas; Rossi, Maurice; Broer, Frauke; Boeck, Thomas

    2014-11-01

    A case of convection driven by chemical reactions is studied by linear stability theory and direct numerical simulations. In a plane aqueous layer of glucose, the methylene-blue-enabled catalytic oxidation of glucose produces heavier gluconic acid. As the oxygen is supplied through the top surface, the production of gluconic acid leads to an overturning instability. Our results complement earlier experimental and numerical work by Pons et al. First, we extend the model by including the top air layer with diffusive transport and Henry's law for the oxygen concentration at the interface to provide a more realistic oxygen boundary condition. Second, a linear stability analysis of the diffusive basic state in the layers is performed using an optimal perturbation approach. This method is appropriate for the unsteady basic state and determines the onset time of convection and the associated wavelength. Third, the nonlinear evolution is studied by the use of three-dimensional numerical simulations. Three typical parameters sets are explored in detail showing significant differences in pattern formation. One parameter set for which the flow is dominated by viscous forces, displays persistently growing convection cells. The other set with increased reaction rate displays a different flow regime marked by local chaotic plume emission. The simulated patterns are then compared to experimental observations.

  18. Solving chemical dynamic optimization problems with ranking-based differential evolution algorithms

    Institute of Scientific and Technical Information of China (English)

    Xu Chen; Wenli Du; Feng Qian

    2016-01-01

    Dynamic optimization problems (DOPs) described by differential equations are often encountered in chemical engineering. Deterministic techniques based on mathematic programming become invalid when the models are non-differentiable or explicit mathematical descriptions do not exist. Recently, evolutionary algorithms are gaining popularity for DOPs as they can be used as robust alternatives when the deterministic techniques are in-valid. In this article, a technology named ranking-based mutation operator (RMO) is presented to enhance the previous differential evolution (DE) algorithms to solve DOPs using control vector parameterization. In the RMO, better individuals have higher probabilities to produce offspring, which is helpful for the performance enhancement of DE algorithms. Three DE-RMO algorithms are designed by incorporating the RMO. The three DE-RMO algorithms and their three original DE algorithms are applied to solve four constrained DOPs from the literature. Our simulation results indicate that DE-RMO algorithms exhibit better performance than previous non-ranking DE algorithms and other four evolutionary algorithms.

  19. Optimizing the lanthanum adsorption process onto chemically modified biomaterials using factorial and response surface design.

    Science.gov (United States)

    Gabor, Andreea; Davidescu, Corneliu Mircea; Negrea, Adina; Ciopec, Mihaela; Grozav, Ion; Negrea, Petru; Duteanu, Narcis

    2017-01-29

    The rare metals' potential to pollute air, water, soil, and especially groundwater has received lot of attention recently. One of the most common rare earth group elements, lanthanum, is used in many industrial branches, and due to its toxicity, it needs to be eliminated from all residual aqueous solutions. The goal of this study was to evaluate the control of the adsorption process for lanthanum removal from aqueous solutions, using cellulose, a known biomaterial with high adsorbent properties, cheap, and environment friendly. The cellulose was chemically modified by functionalization with sodium β-glycerophosphate. The experimental results obtained after factorial design indicate optimum adsorption parameters as pH 6, contact time 60 min, and temperature 298 K, when the equilibrium concentration of lanthanum was 250 mg L(-1), and the experimental adsorption capacity obtained was 31.58 mg g(-1). Further refinement of the optimization of the adsorption process by response surface design indicates that at pH 6 and the initial concentration of 256 mg L(-1), the adsorption capacity has maximum values between 30.87 and 36.73 mg g(-1).

  20. Chemical looping combustion in a rotating bed reactor--finding optimal process conditions for prototype reactor.

    Science.gov (United States)

    Håkonsen, Silje Fosse; Blom, Richard

    2011-11-15

    A lab-scale rotating bed reactor for chemical looping combustion has been designed, constructed, and tested using a CuO/Al(2)O(3) oxygen carrier and methane as fuel. Process parameters such as bed rotating frequency, gas flows, and reactor temperature have been varied to find optimal performance of the prototype reactor. Around 90% CH(4) conversion and >90% CO(2) capture efficiency based on converted methane have been obtained. Stable operation has been accomplished over several hours, and also--stable operation can be regained after intentionally running into unstable conditions. Relatively high gas velocities are used to avoid fully reduced oxygen carrier in part of the bed. Potential CO(2) purity obtained is in the range 30 to 65%--mostly due to air slippage from the air sector--which seems to be the major drawback of the prototype reactor design. Considering the prototype nature of the first version of the rotating reactor setup, it is believed that significant improvements can be made to further avoid gas mixing in future modified and up-scaled reactor versions.

  1. Chemical and Physical Characterization of Collapsing Low-mass Prestellar Dense Cores

    Science.gov (United States)

    Hincelin, U.; Commerçon, B.; Wakelam, V.; Hersant, F.; Guilloteau, S.; Herbst, E.

    2016-05-01

    The first hydrostatic core, also called the first Larson core, is one of the first steps in low-mass star formation as predicted by theory. With recent and future high-performance telescopes, the details of these first phases are becoming accessible, and observations may confirm theory and even present new challenges for theoreticians. In this context, from a theoretical point of view, we study the chemical and physical evolution of the collapse of prestellar cores until the formation of the first Larson core, in order to better characterize this early phase in the star formation process. We couple a state-of-the-art hydrodynamical model with full gas-grain chemistry, using different assumptions for the magnetic field strength and orientation. We extract the different components of each collapsing core (i.e., the central core, the outflow, the disk, the pseudodisk, and the envelope) to highlight their specific physical and chemical characteristics. Each component often presents a specific physical history, as well as a specific chemical evolution. From some species, the components can clearly be differentiated. The different core models can also be chemically differentiated. Our simulation suggests that some chemical species act as tracers of the different components of a collapsing prestellar dense core, and as tracers of the magnetic field characteristics of the core. From this result, we pinpoint promising key chemical species to be observed.

  2. Chemical Precipitation Synthesis of Ferric Chloride Doped Zinc Sulphide Nanoparticles and Their Characterization Studies

    OpenAIRE

    Theivasanthi, T.; Kartheeswari, N.; Alagar, M.

    2013-01-01

    Nanoparticles of Ferric Chloride doped ZnS has been synthesized by simple chemical precipitation method and characterized by XRD, SEM, UV-Vis analysis, Differential Thermal Analysis, Thermo Gravimetric Analysis and Differential Scanning Calorimetry. XRD patterns of the samples reveal particle size, specific surface area and the formation of cubic structure. The SEM images show that the cauliflower likes structure. Optical band gap values have been obtained from UV-Vis absorption spectra. It h...

  3. Chemical characterization and evaluation of biological activity of Cynara cardunculus extractable compounds

    OpenAIRE

    Ramos, Patrícia Alexandra Bogango

    2015-01-01

    The Mediterranean species Cynara cardunculus L. is recognized in the traditional medicine, for their hepatoprotective and choleretic effects. Biomass of C. cardunculus L. var. altilis (DC), or cultivated cardoon, may be explored not only for the production of energy and pulp fibers, but also for the extraction of bioactive compounds. The chemical characterization of extractable components, namely terpenic and phenolic compounds, may valorize the cultivated cardoon plantation, due to their ant...

  4. Chemical characterization of Lippia alba essential oil: an alternative to control green molds

    OpenAIRE

    Jasmina Glamočlija; Marina Soković; Vele Tešević; Giani Andrea Linde; Nelson Barros Colauto

    2011-01-01

    The essential oil of Lippia alba is reported as an antifungal against human pathogenic microorganisms but few articles report its use as an alternative to synthetic fungicides on green mould control. The objective of this study was to determine chemical characteristics of L. alba essential oil and its antifungal activity against green molds as an alternative to synthetic fungicides. Essential oil was extracted by Clevenger hydrodistillation, characterized by GC-MS analysis, and the structure ...

  5. Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

    Science.gov (United States)

    Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

    2016-09-01

    The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure.

  6. Analytical Support, Characterization, and Optimization of a Canine Training Aid Delivery System: Phase 2

    Science.gov (United States)

    2016-01-29

    analyte held within the MODD, consecutive collections were made using 1 L VeriAir Flex manual inflating sample bags ( Environmental Monitoring...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6180--16-9657 Analytical Support, Characterization, and Optimization of a Canine Training...Technology Center for Safety and Survivability Chemistry Division MichaEL MaLito chriStoPhEr J. KatiLiE Nova Research, Inc. Alexandria, Virginia i

  7. Characterization and optimization of sheep hydatid fluid antigen and its application in the latex test

    OpenAIRE

    Fuentes, Flor; Centro Nacional de Productos Biológicos, Instituto Nacional de Salud. Lima, Perú. Químico farmacéutico.; Incio, Nelly; Centro Nacional de Productos Biológicos, Instituto Nacional de Salud. Lima, Perú. Químico farmacéutico.; Lévano, Juan; Centro Nacional de Productos Biológicos, Instituto Nacional de Salud. Lima, Perú. Médico veterinario.; Torres, Yovanna; SAIS Tupac Amaru, EsSalud. Junín Perú. Médico.

    2009-01-01

    It was characterized and optimized sheep hydatid fluid antigen and applied in latex fixation tests as screening test for serological diagnosis of patients with Echinococcus granulosus cysts. We evaluated 40 sera, 15 sera positive by immunoblot from patients with E. granulosus infection, 10 sera from patients with other parasitic diseases and 15 sera from healthy subject. Three of the 15 hydatidosis sera were negative and 0 / 25 sera with hydatidosis were reactive. The sensitivity was 80% (95%...

  8. Application of Integrated Reservoir management and Reservoir Characterization to Optimize Infill Drilling

    Energy Technology Data Exchange (ETDEWEB)

    B. Pregger; D. Davies; D. Moore; G. Freeman; J. Callard; J.W. Nevans; L. Doublet; R. Vessell; T. Blasingame

    1997-08-31

    Infill drilling if wells on a uniform spacing without regard to reservoir performance and characterization foes not optimize reservoir development because it fails to account for the complex nature of reservoir heterogeneities present in many low permeability reservoirs, and carbonate reservoirs in particular. New and emerging technologies, such as geostatistical modeling, rigorous decline curve analysis, reservoir rock typing, and special core analysis can be used to develop a 3-D simulation model for prediction of infill locations.

  9. Model reduction for dynamic real-time optimization of chemical processes

    NARCIS (Netherlands)

    Van den Berg, J.

    2005-01-01

    The value of models in process industries becomes apparent in practice and literature where numerous successful applications are reported. Process models are being used for optimal plant design, simulation studies, for off-line and online process optimization. For online optimization applications th

  10. Optimizing integrated optical chips for label-free (bio-)chemical sensing.

    Science.gov (United States)

    Kunz, R E; Cottier, K

    2006-01-01

    Label-free sensing is an important method for many (bio-)chemical applications in fields such as biotechnology, medicine, pharma, ecology and food quality control. The broad range of applications includes liquid refractive index sensing, molecule detection, and the detection of particles or cells. Integrated optics based on the use of waveguide modes offers a great potential and flexibility to tailor the sensor properties to these applications. In this paper, the results of a numerical study are presented, showing that this flexibility is founded on the many degrees of freedom that can be used for the integrated optical chip design, in contrast to other technologies such as those based on surface plasmon resonance, for which the materials' properties limit the range of choices. The applications that are explicitly considered and discussed include (1) bulk refractometry, (2) thin-layer sensing, for example biosensors monitoring molecular adsorption processes occurring within some 10 nm of the chip's surface, (3) thick-layer sensing with processes involving molecules or ions to be monitored within a sensing matrix extending to some 100 nm from the chip's surface, for example hydrogel-based layers and chemo-optically sensitive membranes, and (4) particle sensing with particles or, for example, biological cells to be monitored within probe volumes extending to some 1,000 nm from the chip's surface. The peculiarities for the different types of applications will be discussed, and suitable modeling methods presented. Finally, the application-specific design guidelines supplied will enable the optimization of various types of integrated optical sensors, including interferometers and grating-based sensors.

  11. Mathematical Characterization of Protein Sequences Using Patterns as Chemical Group Combinations of Amino Acids

    Science.gov (United States)

    Choudhury, Pabitra Pal; Jana, Siddhartha Sankar

    2016-01-01

    Comparison of amino acid sequence similarity is the fundamental concept behind the protein phylogenetic tree formation. By virtue of this method, we can explain the evolutionary relationships, but further explanations are not possible unless sequences are studied through the chemical nature of individual amino acids. Here we develop a new methodology to characterize the protein sequences on the basis of the chemical nature of the amino acids. We design various algorithms for studying the variation of chemical group transitions and various chemical group combinations as patterns in the protein sequences. The amino acid sequence of conventional myosin II head domain of 14 family members are taken to illustrate this new approach. We find two blocks of maximum length 6 aa as ‘FPKATD’ and ‘Y/FTNEKL’ without repeating the same chemical nature and one block of maximum length 20 aa with the repetition of chemical nature which are common among all 14 members. We also check commonality with another motor protein sub-family kinesin, KIF1A. Based on our analysis we find a common block of length 8 aa both in myosin II and KIF1A. This motif is located in the neck linker region which could be responsible for the generation of mechanical force, enabling us to find the unique blocks which remain chemically conserved across the family. We also validate our methodology with different protein families such as MYOI, Myosin light chain kinase (MLCK) and Rho-associated protein kinase (ROCK), Na+/K+-ATPase and Ca2+-ATPase. Altogether, our studies provide a new methodology for investigating the conserved amino acids’ pattern in different proteins. PMID:27930687

  12. Modeling and optimization of a sequence of chemical cleaning cycles in dead-end ultrafiltration

    NARCIS (Netherlands)

    Zondervan, Edwin; Betlem, Ben H.L.; Blankert, Bastiaan; Roffel, Brian

    2008-01-01

    In this paper a chemical cleaning sequence model is proposed that can be used to predict the fouling status of a membrane during multiple chemical cleaning cycles. The proposed model is used to minimize the overall operating costs – based on chemicals consumption, energy consumption and investment c

  13. Formulation, Optimization and In vitro Characterization of Letrozole Loaded Solid Lipid Nanoparticles

    Directory of Open Access Journals (Sweden)

    Archana Nerella

    2014-07-01

    Full Text Available Letrozole (LTZ is an oral non-steroidal aromatase inhibitor for the treatment of hormonally responsive breast cancer after surgery. The objective of the current study is to prepare and evaluate Solid lipid nanoparticles (SLN of LTZ. SLNs were prepared by hot homogenization followed by ultrasonication. Trimyristin was used as solid lipid core, Soyphosphatidyl choline, Tween 80 as surfactant mixture. Process and formulation variables were studied and optimized. LTZ-SLN were characterized for mean particle size, polydispersity index (PDI and zeta potential for all the formulations. The mean particles size, PDI, zeta potential and entrapment efficiency of optimized LTZ-SLN optimized formulation was found to be 28.54 nm, 0.162, 11.80 mV, 85.64 %, respectively. In vitro release profiles are performed in 0.1N HCl using modified franz diffusion cell showed controlled drug release behavior over a period of 24h. LTZ-SLN formulations are subjected to stability study over a period of 1 month in terms of particle size, zeta potential, PDI, entrapment efficiency and are found to be stable. Differential scanning calorimetry (DSC and transmission electron microscopy (TEM analysis was performed to characterize the state of drug, lipid modification, shape and surface morphology of prepared LTZ-SLN formulations.

  14. Emerging developments in the standardized chemical characterization of indoor air quality.

    Science.gov (United States)

    Nehr, Sascha; Hösen, Elisabeth; Tanabe, Shin-Ichi

    2017-01-01

    Despite the fact that the special characteristics of indoor air pollution make closed environments quite different from outdoor environments, the conceptual ideas for assessing air quality indoors and outdoors are similar. Therefore, the elaboration of International Standards for air quality characterization in view of controlling indoor air quality should resort to this common basis. In this short review we describe the possibilities of standardization of tools dedicated to indoor air quality characterization with a focus on the tools permitting to study the indoor air chemistry. The link between indoor exposure and health as well as the critical processes driving the indoor air quality are introduced. Available International Standards for the assessment of indoor air quality are depicted. The standards comprise requirements for the sampling on site, the analytical procedures, and the determination of material emissions. To date, these standardized procedures assure that indoor air, settled dust and material samples are analyzed in a comparable manner. However, existing International Standards exclusively specify conventional, event-driven target-screening using discontinuous measurement methods for long-lived pollutants. Therefore, this review draws a parallel between physico-chemical processes in indoor and outdoor environments. The achievements in atmospheric sciences also improve our understanding of indoor environments. The community of atmospheric scientists can be both ideal and supporter for researchers in the area of indoor air quality characterization. This short review concludes with propositions for future standardization activities for the chemical characterization of indoor air quality. Future standardization efforts should focus on: (i) the elaboration of standardized measurement methods and measurement strategies for online monitoring of long-lived and short-lived pollutants, (ii) the assessment of the potential and the limitations of non

  15. Physico-chemical characterization of functionalized polypropylenic fibers for prosthetic applications

    Energy Technology Data Exchange (ETDEWEB)

    Nistico, Roberto [Department of Chemistry and NIS Center of Excellence, University of Torino, Via P. Giuria 7, Torino 10125 (Italy); Faga, Maria Giulia, E-mail: m.faga@to.istec.cnr.it [CNR-ISTEC, Strada delle Cacce 73, Torino 10135 (Italy); Gautier, Giovanna [CNR-ISTEC, Strada delle Cacce 73, Torino 10135 (Italy); Magnacca, Giuliana [Department of Chemistry and NIS Center of Excellence, University of Torino, Via P. Giuria 7, Torino 10125 (Italy); D' Angelo, Domenico; Ciancio, Emanuele; Piacenza, Giacomo [Clean-NT Lab, Environment Park S.P.A., Via Livorno 60, 10144 Turin (Italy); Lamberti, Roberta; Martorana, Selanna [Herniamesh S.r.l., Via F.lli Meliga, 1/C 10034 Chivasso, Turin (Italy)

    2012-08-01

    Polypropylene (PP) fibers can be manufactured to form nets which can find application as prosthesis in hernioplasty. One of the most important problem to deal with when nets are applied in vivo consists in the reproduction of bacteria within the net fibers intersections. This occurs right after the application of the prosthesis, and causes infections, thus it is fundamental to remove bacteria in the very early stage of the nets application. This paper deals with the physico-chemical characterization of such nets, pre-treated by atmospheric pressure plasma dielectric barrier discharge apparatus (APP-DBD) and functionalized with an antibiotic drug such as chitosan. The physico-chemical characterization of sterilized nets, before and after the functionalization with chitosan, was carried out by means of scanning electron microscopy (SEM) coupled with EDS spectroscopy, FTIR spectroscopy, drop shape analysis (DSA), X-ray diffraction and thermal analyses (TGA and DSC). The aim of the work is to individuate a good strategy to characterize this kind of materials, to understand the effects of polypropylene pre-treatment on functionalization efficiency, to follow the materials ageing in order to study the effects of the surface treatment for in vivo applications.

  16. Characterization of plutonium-bearing wastes by chemical analysis and analytical electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Behrens, R.G. [Los Alamos National Lab., NM (United States); Buck, E.C.; Dietz, N.L.; Bates, J.K.; Van Deventer, E.; Chaiko, D.J. [Argonne National Lab., IL (United States)

    1995-09-01

    This report summarizes the results of characterization studies of plutonium-bearing wastes produced at the US Department of Energy weapons production facilities. Several different solid wastes were characterized, including incinerator ash and ash heels from Rocky Flats Plant and Los Alamos National Laboratory; sand, stag, and crucible waste from Hanford; and LECO crucibles from the Savannah River Site. These materials were characterized by chemical analysis and analytical electron microscopy. The results showed the presence of discrete PuO{sub 2}PuO{sub 2{minus}x}, and Pu{sub 4}O{sub 7} phases, of about 1{mu}m or less in size, in all of the samples examined. In addition, a number of amorphous phases were present that contained plutonium. In all the ash and ash heel samples examined, plutonium phases were found that were completely surrounded by silicate matrices. Consequently, to achieve optimum plutonium recovery in any chemical extraction process, extraction would have to be coupled with ultrafine grinding to average particle sizes of less than 1 {mu}m to liberate the plutonium from the surrounding inert matrix.

  17. Optical and Chemical Characterization of Polyimide in a GEO-like Environment

    Science.gov (United States)

    Engelhart, D.; Plis, E.; Ferguson, D.; Cooper, R.; Hoffmann, R.

    2016-09-01

    Ground- and space-based optical observations of space objects rely on knowledge about how spacecraft materials interact with light. However, this is not a static property. Each material's optical fingerprint changes continuously throughout a spacecraft's orbital lifetime. These changes in optical signature occur because energetic particles break bonds within a material and new bonds subsequently form. The newly formed bonds can be identical to the original bonds or different, resulting in a new material. The chemical bonds comprising the material dictate which wavelengths of light are absorbed. Understanding the processes of material damage and recovery individually will allow development of a predictive model for materials' optical properties as a function of exposure to the space environment. In order to characterize the properties, we have exposed samples of polyimide to high energy electrons comparable to those found in a geostationary earth orbit in order to simulate damage on orbit. The resultant changes in the material's optical fingerprint were then characterized in the wavelength range of 0.2 to 25 microns. The chemical modifications to the material that result in these optical changes have also been identified. After initial electron-induced damage, the rate and mechanism of material recovery have been monitored and found to be extremely sensitive to the exposure of the damaged material to air. The implications of that fact and experimental progress toward complete in vacuo characterization will be discussed.

  18. Chemical Characterization of Fruit Wine Made from Oblačinska Sour Cherry

    Directory of Open Access Journals (Sweden)

    Milica Pantelić

    2014-01-01

    Full Text Available This paper was aimed at characterizing the wine obtained from Oblačinska, a native sour cherry cultivar. To the best of our knowledge, this is the first paper with the most comprehensive information on chemical characterization of Oblačinska sour cherry wine. The chemical composition was characterized by hyphenated chromatographic methods and traditional analytical techniques. A total of 24 compounds were quantified using the available standards and another 22 phenolic compounds were identified based on the accurate mass spectrographic search. Values of total phenolics content, total anthocyanin content, and radical scavenging activity for cherry wine sample were 1.938 mg gallic acid eqv L−1, 0.113 mg cyanidin-3-glucoside L−1, and 34.56%, respectively. In general, cherry wine polyphenolics in terms of nonanthocyanins and anthocyanins were shown to be distinctive when compared to grape wines. Naringenin and apigenin were characteristic only for cherry wine, and seven anthocyanins were distinctive for cherry wine.

  19. Chemical composition of Titan's aerosols analogues characterized with a systematic pyrolysis-gas chromatography-mass spectrometry characterization

    Science.gov (United States)

    Szopa, Cyril; Raulin, Francois; Coll, Patrice; Cabane, Michel; GCMS Team

    2014-05-01

    The in situ chemical characterization of Titan's atmosphere was achieved in 2005 with two instruments present onboard the Huygens atmospheric probe : the Aerosol Collector and Pyrolyzer (ACP) devoted to collect and pyrolyse Titan's aerosols ; the Gas Chromatograph-Mass Spectrometer (GCMS) experiment devoted to analyze gases collected in the atmosphere or coming from the aerosols pyrolysis. The GCMS was developed by Hasso Niemann in the filiation of the quadrupole mass spectrometers he built for several former space missions. The main objectives were to : determine the concentration profile of the most abundant chemical species; seek for minor atmospheric organic species not detected with remote observations ; give a first view of the organic aerosols structure; characterize the condensed volatiles present at the surface (e.g. lakes) in case of survival of the probe to the landing impact. Taking into account for the potential complexity of the gaseous samples to be analyzed, it was decided to couple to the MS analyzer a gas chromatograph capable to separate volatile species from light inorganic molecules and noble gases, to organic compounds including aromatics. This was the first GCMS analyzer that worked in an extraterrestrial environment since the Viking missions on Mars. Even if the GCMS coupling mode did not provide any result of interest, it has been demonstrated to be functional during the Huygens descent. But, the direct MS analysis of the atmosphere, and the pyrolysis-MS analysis of aerosols allowed to make great discoveries which are still of primary importance to describe the Titan's lower atmosphere composition. This contribution aims at presenting this instrument that worked in the Titan's atmosphere, and summarizing the most important discoveries it allowed.

  20. Using different chemical methods for deposition of copper selenide thin films and comparison of their characterization.

    Science.gov (United States)

    Güzeldir, Betül; Sağlam, Mustafa

    2015-11-05

    Different chemical methods such as Successive Ionic Layer Adsorption and Reaction (SILAR), spin coating and spray pyrolysis methods were used to deposite of copper selenide thin films on the glass substrates. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray analysis (EDX) spectroscopy and UV-vis spectrophotometry. The XRD and SEM studies showed that all the films exhibit polycrystalline nature and crystallinity of copper selenide thin films prepared with spray pyrolysis greater than spin coating and SILAR methods. From SEM and AFM images, it was observed copper selenide films were uniform on the glass substrates without any visible cracks or pores. The EDX spectra showed that the expected elements exist in the thin films. Optical absorption studies showed that the band gaps of copper selenide thin films were in the range 2.84-2.93 eV depending on different chemical methods. The refractive index (n), optical static and high frequency dielectric constants (ε0, ε∞) values were calculated by using the energy bandgap values for each deposition method. The obtained results from different chemical methods revealed that the spray pyrolysis technique is the best chemical deposition method to fabricate copper selenide thin films. This absolute advantage was lead to play key roles on performance and efficiency electrochromic and photovoltaic devices.

  1. Microbiology and atmospheric processes: biological, physical and chemical characterization of aerosol particles

    Science.gov (United States)

    Georgakopoulos, D. G.; Després, V.; Fröhlich-Nowoisky, J.; Psenner, R.; Ariya, P. A.; Pósfai, M.; Ahern, H. E.; Moffett, B. F.; Hill, T. C. J.

    2009-04-01

    The interest in bioaerosols has traditionally been linked to health hazards for humans, animals and plants. However, several components of bioaerosols exhibit physical properties of great significance for cloud processes, such as ice nucleation and cloud condensation. To gain a better understanding of their influence on climate, it is therefore important to determine the composition, concentration, seasonal fluctuation, regional diversity and evolution of bioaerosols. In this paper, we will review briefly the existing techniques for detection, quantification, physical and chemical analysis of biological particles, attempting to bridge physical, chemical and biological methods for analysis of biological particles and integrate them with aerosol sampling techniques. We will also explore some emerging spectroscopy techniques for bulk and single-particle analysis that have potential for in-situ physical and chemical analysis. Lastly, we will outline open questions and further desired capabilities (e.g., in-situ, sensitive, both broad and selective, on-line, time-resolved, rapid, versatile, cost-effective techniques) required prior to comprehensive understanding of chemical and physical characterization of bioaerosols.

  2. Microbiology and atmospheric processes: biological, physical and chemical characterization of aerosol particles

    Directory of Open Access Journals (Sweden)

    D. G. Georgakopoulos

    2008-04-01

    Full Text Available The interest in bioaerosols has traditionally been linked to health hazards for humans, animals and plants. However, several components of bioaerosols exhibit physical properties of great significance for cloud processes, such as ice nucleation and cloud condensation. To gain a better understanding of their influence on climate, it is therefore important to determine the composition, concentration, seasonal fluctuation, regional diversity and evolution of bioaerosols. In this paper, we will review briefly the existing techniques for detection, quantification, physical and chemical analysis of biological particles, attempting to bridge physical, chemical and biological methods for analysis of biological particles and integrate them with aerosol sampling techniques. We will also explore some emerging spectroscopy techniques for bulk and single-particle analysis that have potential for in-situ physical and chemical analysis. Lastly, we will outline open questions and further desired capabilities (e.g., in-situ, sensitive, both broad and selective, on-line, time-resolved, rapid, versatile, cost-effective techniques required prior to comprehensive understanding of chemical and physical characterization of bioaerosols.

  3. Microbiology and atmospheric processes: biological, physical and chemical characterization of aerosol particles

    Directory of Open Access Journals (Sweden)

    D. G. Georgakopoulos

    2009-04-01

    Full Text Available The interest in bioaerosols has traditionally been linked to health hazards for humans, animals and plants. However, several components of bioaerosols exhibit physical properties of great significance for cloud processes, such as ice nucleation and cloud condensation. To gain a better understanding of their influence on climate, it is therefore important to determine the composition, concentration, seasonal fluctuation, regional diversity and evolution of bioaerosols. In this paper, we will review briefly the existing techniques for detection, quantification, physical and chemical analysis of biological particles, attempting to bridge physical, chemical and biological methods for analysis of biological particles and integrate them with aerosol sampling techniques. We will also explore some emerging spectroscopy techniques for bulk and single-particle analysis that have potential for in-situ physical and chemical analysis. Lastly, we will outline open questions and further desired capabilities (e.g., in-situ, sensitive, both broad and selective, on-line, time-resolved, rapid, versatile, cost-effective techniques required prior to comprehensive understanding of chemical and physical characterization of bioaerosols.

  4. Structural characterization and chemical classification of some bryophytes found in Latvia.

    Science.gov (United States)

    Maksimova, Viktorija; Klavina, Laura; Bikovens, Oskars; Zicmanis, Andris; Purmalis, Oskars

    2013-07-01

    Bryophytes are the second largest taxonomic group in the plant kingdom; yet, studies conducted to better understand their chemical composition are rare. The aim of this study was to characterize the chemical composition of bryophytes common in Northern Europe by using elemental, spectral, and non-destructive analytical methods, such as Fourier transform IR spectrometry (FT-IR), solid-phase (13) C-NMR spectrometry, and pyrolysis-gas chromatography/mass spectrometry (Py-GC/MS), for the purpose of investigating their chemotaxonomic relationships on the basis of chemical-composition data. The results of all these analyses showed that bryophytes consist mainly of carbohydrates. Judging by FT-IR spectra, the OH groups in combination of CO groups were the most abundant groups. The (13) C-NMR spectra provided information on the presence of such compounds as phenolics and lipids. It was found that the amount of phenolic compounds in bryophytes is relatively small. This finding definitely confirmed the absence of lignin in the studied bryophytes. Cluster analysis was used to better understand differences in the chemical composition of bryophyte samples and to evaluate possible usage of these methods in the chemotaxonomy of bryophytes.

  5. Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Amundaraín Hurtado, Jesús Leonardo; Chodakowski, Martin; Long, Bingwen; Shaw, John M. (Alberta)

    2012-02-07

    Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS). Two methods were used to separate asphaltenes from the Athabasca bitumen: namely, chemical separation by precipitation with n-pentane and physical separation by nanofiltration using a zirconia membrane with a 20 nm average pore size. The permeate and chemically separated samples were diluted in 1-methylnaphtalene and n-dodecane prior to SAXS measurements. The temperature and asphaltene concentration ranges were 50-310 C and 1-10.4 wt %, respectively. Model-independent analysis of SAXS data provided the radius of gyration and the scattering coefficients. Model-dependent fits provided size distributions for asphaltenes assuming that they are dense and spherical. Model-independent analysis for physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and the temperature dependence of structural properties. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in hydrocarbon resources. While the residuals for model-dependent fits are small, the results are inconsistent with the structural parameters obtained from model-independent analysis.

  6. Chemical Oxidative Polymerization of 2-Aminothiazole in Aqueous Solution: Synthesis, Characterization and Kinetics Study

    Directory of Open Access Journals (Sweden)

    Hua Zou

    2016-11-01

    Full Text Available The chemical oxidative polymerization of 2-aminothiazole (AT was studied in aqueous solution using copper chloride (CuCl2 as an oxidant. The effect of varying the reaction temperature, reaction time and oxidant/monomer molar ratio on the polymer yield was investigated. The resulting poly(2-aminothiazoles (PATs were characterized by FTIR, 1H NMR, UV-vis, gel permeation chromatography, scanning electron microscopy, thermogravimetric analysis and four-point probe electrical conductivity measurements. Compared with a previous study, PATs with higher yield (81% and better thermal stability could be synthesized. The chemical oxidative polymerization kinetics of AT were studied for the first time. The orders of the polymerization reaction with respect to monomer concentration and oxidant concentration were found to be 1.14 and 0.97, respectively, and the apparent activation energy of the polymerization reaction was determined to be 21.57 kJ/mol.

  7. Characterization of Thin Films Deposited with Precursor Ferrocene by Plasma Enhanced Chemical Vapour Deposition

    Institute of Scientific and Technical Information of China (English)

    YAO Kailun; ZHENG Jianwan; LIU Zuli; JIA Lihui

    2007-01-01

    In this paper,the characterization of thin films,deposited with the precursor ferrocene(FcH)by the plasma enhanced chemical vapour deposition(PECVD)technique,was investigated.The films were measured by Scanning Electronic Microscopy(SEM),Atomic Force Microscopy(AFM),Electron Spectroscopy for Chemical Analysis(ESCA),and superconducting Quantum Interference Device(SQUID).It was observed that the film's layer is homogeneous in thickness and has a dense morphology without cracks.The surface roughness is about 36 nm.From the results of ESCA,it can be inferred that the film mainly contains the compound FeOOH,and carbon is combined with oxygen in different forms under different supply-powers.The hysteresis loops indicate that the film is of soft magnetism.

  8. Chemical and genetic characterization of bacteriocins: antimicrobial peptides for food safety.

    Science.gov (United States)

    Snyder, Abigail B; Worobo, Randy W

    2014-01-15

    Antimicrobial peptides are produced across all domains of life. Among these diverse compounds, those produced by bacteria have been most successfully applied as agents of biocontrol in food and agriculture. Bacteriocins are ribosomally synthesized, proteinaceous compounds that inhibit the growth of closely related bacteria. Even within the subcategory of bacteriocins, the peptides vary significantly in terms of the gene cluster responsible for expression, and chemical and structural composition. The polycistronic gene cluster generally includes a structural gene and various combinations of immunity, secretion, and regulatory genes and modifying enzymes. Chemical variation can exist in amino acid identity, chain length, secondary and tertiary structural features, as well as specificity of active sites. This diversity posits bacteriocins as potential antimicrobial agents with a range of functions and applications. Those produced by food-grade bacteria and applied in normally occurring concentrations can be used as GRAS-status food additives. However, successful application requires thorough characterization.

  9. Optimization and Characterization of High Velocity Oxy-fuel Sprayed Coatings: Techniques, Materials, and Applications

    Directory of Open Access Journals (Sweden)

    Maria Oksa

    2011-09-01

    Full Text Available In this work High Velocity Oxy-fuel (HVOF thermal spray techniques, spraying process optimization, and characterization of coatings are reviewed. Different variants of the technology are described and the main differences in spray conditions in terms of particle kinetics and thermal energy are rationalized. Methods and tools for controlling the spray process are presented as well as their use in optimizing the coating process. It will be shown how the differences from the starting powder to the final coating formation affect the coating microstructure and performance. Typical properties of HVOF sprayed coatings and coating performance is described. Also development of testing methods used for the evaluation of coating properties and current status of standardization is presented. Short discussion of typical applications is done.

  10. Optimal design and experimental measurement of the subharmonic characterizations of encapsulated microbubble

    Institute of Scientific and Technical Information of China (English)

    ZONG Yujin; WAN Mingxi; WANG Suping; CHEN Hong; ZHANG Guolu

    2006-01-01

    Based on a theoretical motion equation of encapsulated microbubbles within an ultrasound field, the subharmonic characterizations of microbubbles are optimally designed and analyzed by a computer aided design system. The effects of size, shell elasticity and acoustic pressure on subharmonic response of microbubbles are calculated theoretically to obtain the optimal parameters for nondestructive subharmonic imaging. In addition, microbubbles with different shell elasticity are prepared, and their subharmonic responses are measured in vitro.The results of theoretical calculation and acoustic measurement show that good subharmonic enhancement can be obtained by using the encapsulated microbubbles with the mean size of 3μm, which were prepared from the surfactant solution with the proper ratio of shell material.It is also shown that the best operating acoustic pressure is 200 to 400 kPa for nondestructive subharmonic imaging based on such kind of microbubbles.

  11. Optimizing Managed Aquifer Recharge (MAR) Systems for Removal of Trace Organic Chemicals (TOrCs)

    KAUST Repository

    Alidina, Mazahirali

    2014-06-01

    Managed aquifer recharge (MAR) is a low-energy subsurface water treatment system with the potential of being an important component of sustainable water reuse schemes. Alongside common wastewater contaminants, MAR systems have been shown to attenuate a range of trace organic chemicals (TOrCs). Despite several factors being possibly important for TOrC attenuation, many have not been investigated in depth. This research effort investigated three factors affecting attenuation of the moderately degradable TOrCs: primary substrate, adaptation of the microbial community to presence of TOrCs, and groundwater temperature. The overall goal was to optimize TOrC attenuation using different MAR configurations considering how these factors affect TOrC attenuation. The primary substrate composition and concentration significantly impacted attenuation of the moderately degradable TOrCs. Lower primary substrate concentrations and more refractory carbon generally resulted in better TOrC transformation, a more diverse microbial community in the infiltration zone and more diverse capabilities for TOrC degradation. The enzyme group cytochrome P450 may be important for TOrC transformation since its genes were more abundant under carbon-starving primary substrate conditions. Adaptation of the microbial community by pre-exposure to TOrCs was not required in order to degrade them. However, adaptation to the primary substrate was necessary for TOrC biotransformation due to its effect on the microbial community. Attenuation of most TOrCs was unaffected by changes in temperature. Some moderately degradable TOrCs, however, were better attenuated at higher temperatures likely due to increased microbial activity. Others were better degraded at lower temperatures likely due to favorable sorption conditions. In the context of applying MAR systems to potential water reuse schemes within Saudi Arabia, a reconnaissance study of TOrC occurrence in treated wastewater effluents was undertaken. Most of

  12. Chemical characterization of chars developed from thermochemical treatment of Kentucky bluegrass seed screenings.

    Science.gov (United States)

    Griffith, Stephen M; Banowetz, Gary M; Gady, David

    2013-08-01

    Seed mill screenings would be a considerable biofeedstock source for bioenergy and char production. Char produced from the gasification of residues resulting from cleaning of grass seed and small grains could be recycled to a cropping system as a soil amendment if chemical characterization determined that the gasification process had not produced or concentrated deleterious chemical or physical factors that might harm the environment, crop growth or yield. Previous reports have shown that char derived from the pyrolysis of a variety of biomass feedstocks has potential to enhance soil quality by pH adjustment, mineral amendment, and improved soil porosity. The objective of this research was to characterize char produced from Kentucky bluegrass seed mill screenings (KBss) by a small-scale gasification unit, operated at temperatures between 600 and 650°C, with respect to polycyclic aromatic hydrocarbons, selected heavy metals, as well as other physical and chemical characteristics, and determine its suitability for agricultural application as a soil amendment. We utilized KBss as a model for seed and grain-cleaning residues with the understanding that chemical and physical characteristics of char produced by gasification or other cleaning residues may differ based on soil and environmental conditions under which the crops were produced. Our results support the hypothesis that KBss char could be applied in a cropping system without toxic environmental consequences and serve multiple purposes, such as; recycling critical plant macro- and micro-nutrients back to existing cropland, enhancing soil carbon sequestration, managing soil pH, and improving water holding capacity. Crop field trails need to be implemented to further test these hypotheses.

  13. Characterization and nutrient release from silicate rocks and influence on chemical changes in soil

    Directory of Open Access Journals (Sweden)

    Douglas Ramos Guelfi Silva

    2012-06-01

    Full Text Available The expansion of Brazilian agriculture has led to a heavy dependence on imported fertilizers to ensure the supply of the growing food demand. This fact has contributed to a growing interest in alternative nutrient sources, such as ground silicate rocks. It is necessary, however, to know the potential of nutrient release and changes these materials can cause in soils. The purpose of this study was to characterize six silicate rocks and evaluate their effects on the chemical properties of treated soil, assessed by chemical extractants after greenhouse incubation. The experimental design consisted of completely randomized plots, in a 3 x 6 factorial scheme, with four replications. The factors were potassium levels (0-control: without silicate rock application; 200; 400; 600 kg ha-1 of K2O, supplied as six silicate rock types (breccia, biotite schist, ultramafic rock, phlogopite schist and two types of mining waste. The chemical, physical and mineralogical properties of the alternative rock fertilizers were characterized. Treatments were applied to a dystrophic Red-Yellow Oxisol (Ferralsol, which was incubated for 100 days, at 70 % (w/w moisture in 3.7 kg/pots. The soil was evaluated for pH; calcium and magnesium were extracted with KCl 1 mol L-1; potassium, phosphorus and sodium by Mehlich 1; nickel, copper and zinc with DTPA; and the saturation of the cation exchange capacity was calculated for aluminum, calcium, magnesium, potassium, and sodium, and overall base saturation. The alternative fertilizers affected soil chemical properties. Ultramafic rock and Chapada mining byproduct (CMB were the silicate rocks that most influenced soil pH, while the mining byproduct (MB led to high K levels. Zinc availability was highest in the treatments with mining byproduct and Cu in soil fertilized with Chapada and mining byproduct.

  14. Surface chemical and biological characterization of flax fabrics modified with silver nanoparticles for biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Paladini, F., E-mail: federica.paladini@unisalento.it [Department of Engineering for Innovation, University of Salento, Via per Monteroni, 73100 Lecce (Italy); Picca, R.A.; Sportelli, M.C.; Cioffi, N. [Department of Chemistry, University of Bari “Aldo Moro”, Via Orabona 4, 70126 Bari (Italy); Sannino, A.; Pollini, M. [Department of Engineering for Innovation, University of Salento, Via per Monteroni, 73100 Lecce (Italy)

    2015-07-01

    Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications and wound healing. This work aims to investigate the surface chemical composition and biological properties of silver nanoparticle-modified flax substrates. Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution, by means of a large-scale apparatus. The silver-coated materials were characterized through X-ray Photoelectron Spectroscopy (XPS), to assess the surface elemental composition of the coatings, and the chemical speciation of both the substrate and the antibacterial nanophases. A detailed investigation of XPS high resolution regions outlined that silver is mainly present on nanophases' surface as Ag{sub 2}O. Scanning electron microscopy and energy dispersive X-ray spectroscopy were also carried out, in order to visualize the distribution of silver particles on the fibers. The materials were also characterized from a biological point of view in terms of antibacterial capability and cytotoxicity. Agar diffusion tests and bacterial enumeration tests were performed on Gram positive and Gram negative bacteria, namely Staphylococcus aureus and Escherichia coli. In vitro cytotoxicity tests were performed through the extract method on murine fibroblasts in order to verify if the presence of the silver coating affected the cellular viability and proliferation. Durability of the coating was also assessed, thus confirming the successful scaling up of the process, which will be therefore available for large-scale production. - Highlights: • Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications. • Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution. • Flax fabrics were characterized from a biological and surface chemical point of view. • Scaling up of the process was confirmed.

  15. CHEMICAL MODIFICATION AND CHARACTERIZATION OF PECTIN AS A POTENTIAL DRUG RELEASE RETARDANT

    Directory of Open Access Journals (Sweden)

    Harika Puppala Satya Krishna

    2011-02-01

    Full Text Available The present study deals with the chemical modification of pectin by acetylation of their free hydroxyl groups to yield high ester pectin and to evaluate its solubility and swelling behaviour along with the effect on the release pattern of the drug. Modified pectins were prepared by acetylation process using various strengths of 20%, 40% and 60% v/v acetyl chloride in ethanol. The prepared modified pectins were subjected to various physico-chemical characteristics like solubility, gelling studies, acid value, saponification value and ester value. FTIR studies were carried out to confirm the chemical modification of pectin. Matrix tablets of tramadol were formulated using various strengths of modified pectins in different concentrations and its impact on drug release was studied. All the formulated batches were subjected to weight variation, hardness, friability, drug content and the values obtained were within the acceptable range. The in-vitro drug release characteristics from the formulated tablets were compared with commercial sustained release tablet of tramadol. The optimized tablet formulation F4 sustained the drug release over a period of 8hours as comparable to the marketed product. Thus the synthesized modified pectin proved to be an ideal drug release retarding polymer.

  16. Structural characterization and photoluminescence properties of zinc oxide nano particles synthesized by chemical route method

    OpenAIRE

    P.B. Taunk; Das, R.; D.P. Bisen; Raunak kumar Tamrakar

    2015-01-01

    Nanostructures, crystalline Zinc oxide powder were synthesized by mixing Zinc chloride (0.04M) and sodium hydroxide (0.08M) using chemical route method. 0.001M molar concentrations of TEA (Tri ethanolamine) in aqueous solution used to the growing reaction solution. The powder samples are annealed at 190 °C. The experimental results indicate a successful growth of Zinc oxide in solid form which is not observed ever before. XRD, SEM, TEM and PL were performed to characterize the morphology, gro...

  17. Characterization of copper selenide thin films deposited by chemical bath deposition technique

    Science.gov (United States)

    Al-Mamun; Islam, A. B. M. O.

    2004-11-01

    A low-cost chemical bath deposition (CBD) technique has been used for the preparation of Cu2-xSe thin films onto glass substrates and deposited films were characterized by X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and UV-vis spectrophotometry. Good quality thin films of smooth surface of copper selenide thin films were deposited using sodium selenosulfate as a source of selenide ions. The structural and optical behaviour of the films are discussed in the light of the observed data.

  18. Growth of CdS nanoparticles by chemical method and its characterization

    Indian Academy of Sciences (India)

    R Bhattacharya; S Saha

    2008-07-01

    In the present work a simple chemical reduction method is followed to grow CdS nanoparticles at room temperature. The grown sample is ultrasonicated in acetone. The dispersed sample is characterized using electron diffraction technique. Simultaneously optical absorption of this sample is studied in the range of 400–700 nm. The photoluminescence spectrum of the sample is also studied. Results show the formation of nanoparticles. Hence an increase in band gap compared to bulk CdS and the as-prepared CdS nanoparticles have surface sulphur vacancies.

  19. A Hybrid Improved Genetic Algorithm and Its Application in Dynamic Optimization Problems of Chemical Processes

    Institute of Scientific and Technical Information of China (English)

    SUN Fan; DU Wenli; QI Rongbin; QIAN Feng; ZHONG Weimin

    2013-01-01

    The solutions of dynamic optimization problems are usually very difficult due to their highly nonlinear and multidimensional nature.Genetic algorithm(GA)has been proved to be a feasible method when the gradient is difficult to calculate.Its advantage is that the control profiles at all time stages are optimized simultaneously,but its convergence is very slow in the later period of evolution and it is easily trapped in the local optimum.In this study,a hybrid improved genetic algorithm(HIGA)for solving dynamic optimization problems is proposed to overcome these defects.Simplex method(SM)is used to perform the local search in the neighborhood of the optimal solution.By using SM,the ideal searching direction of global optimal solution could be found as soon as possible and the convergence speed of the algorithm is improved.The hybrid algorithm presents some improvements,such as protecting the best individual,accepting immigrations,as well as employing adaptive crossover and Gaussian mutation operators.The efficiency of the proposed algorithm is demonstrated by solving several dynamic optimization problems.At last,HIGA is applied to the optimal production of secreted protein in a fed batch reactor and the optimal feed-rate found by HIGA is effective and relatively stable.

  20. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhi, K. T., E-mail: arulsheelphy@gmail.com [Physics Wing (DDE), Annamalai University, Tamil Nadu, India - 608 002 (India); Mythili, N. [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)

    2013-12-15

    Lead oxide (PbO) nanoparticles were chemically synthesized using Lead (II) acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA) and Cetryl Tri Methyl Butoxide (CTAB) on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD), Fourier Transform-Infrared spectroscopy (FT-IR), Photoluminescence (PL) Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive Spectroscopy (EDS) and Transmission Electron Microscopy (TEM) were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  1. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    Directory of Open Access Journals (Sweden)

    K. T. Arulmozhi

    2013-12-01

    Full Text Available Lead oxide (PbO nanoparticles were chemically synthesized using Lead (II acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA and Cetryl Tri Methyl Butoxide (CTAB on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD, Fourier Transform-Infrared spectroscopy (FT-IR, Photoluminescence (PL Field Emission Scanning Electron Microscopy (FE-SEM, Energy Dispersive Spectroscopy (EDS and Transmission Electron Microscopy (TEM were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  2. Chemical synthesis and characterization of highly soluble conducting polyaniline in the mixtures of common solvents

    Directory of Open Access Journals (Sweden)

    Zeghioud Hichem

    2015-01-01

    Full Text Available This work presents the synthesis and characterization of soluble and conducting polyaniline PANI-PIA according to chemical polymerization route. This polymerization pathway leads to the formation of poly(itaconic acid doped polyaniline salts, which are highly soluble in a number of mixtures between organic common polar solvents and water, the solubility reaches 4 mg mL-1. The effect of synthesis parameters such as doping level on the conductivity and the study of solubility and other properties of the resulting PANI salts were also undertaken. The maximum of conductivity was found equal to 2.48×10-4 S cm-1 for fully protonated PANI-EB. In addition, various characterizations of the synthesized materials were also done with the help of viscosity measurements, UV-vis spectroscopy, XRD, FTIR and finally TGA for the thermal properties behaviour.

  3. The growth and in situ characterization of chemical vapor deposited SiO2

    Science.gov (United States)

    Iyer, R.; Chang, R. R.; Lile, D. L.

    1987-01-01

    This paper reports the results of studies of the kinetics of remote (indirect) plasma enhanced low pressure CVD growth of SiO2 on Si and InP and of the in situ characterization of the electrical surface properties of InP during CVD processing. In the latter case photoluminescence was employed as a convenient and sensitive noninvasive method for characterizing surface trap densities. It was determined that, provided certain precautions are taken, the growth of SiO2 occurs in a reproducible and systematic fashion that can be expressed in an analytic form useful for growth rate prediction. Moreover, the in situ photoluminescence studies have yielded information on sample degradation resulting from heating and chemical exposure during the CVD growth.

  4. Fiber Bragg Grating Modeling, Characterization and Optimization with different index profiles

    Directory of Open Access Journals (Sweden)

    SUNITA UGALE

    2010-09-01

    Full Text Available This paper presents the modeling and characterization of an optical fiber grating for maximum reflectivity, minimum side lobe power wastage. Grating length and refractive index profile are the critical parameters in contributing to performance of fiber Bragg grating. The reflection spectra and side lobes strength were analyzed with different lengths and different refractive index profiles. podization techniques are used to get optimized reflection spectra. The simulations are based on solving coupled mode equations by transfer matrix method that describes the interaction of guided modes.

  5. Characterization and Optimization of silicon photomultipliers for the development of intraoperative beta probes

    Energy Technology Data Exchange (ETDEWEB)

    Hudin, N.; Pinot, L. [Laboratoire Imagerie et Modelisation en Neurobiologie et Cancerologie (UMR 8165), Campus d' Orsay, IN2P3-CNRS, 91406 Orsay Cedex (France); Dinu, N. [Laboratoire de l' Accelerateur Lineaire, IN2P3-CNRS, 91898 Orsay (France); Charon, Y. [Laboratoire Imagerie et Modelisation en Neurobiologie et Cancerologie (UMR 8165), Campus d' Orsay, IN2P3-CNRS, 91406 Orsay Cedex (France); Puill, V. [Laboratoire de l' Accelerateur Lineaire, IN2P3-CNRS, 91898 Orsay (France); Janvier, B. [Laboratoire Imagerie et Modelisation en Neurobiologie et Cancerologie (UMR 8165), Campus d' Orsay, IN2P3-CNRS, 91406 Orsay Cedex (France); Chaumat, V. [Laboratoire de l' Accelerateur Lineaire, IN2P3-CNRS, 91898 Orsay (France); Duval, M.-A.; Abi Haidar, D.; Siebert, R. [Laboratoire Imagerie et Modelisation en Neurobiologie et Cancerologie (UMR 8165), Campus d' Orsay, IN2P3-CNRS, 91406 Orsay Cedex (France); Menard, L., E-mail: menard@imnc.in2p3.fr [Laboratoire Imagerie et Modelisation en Neurobiologie et Cancerologie (UMR 8165), Campus d' Orsay, IN2P3-CNRS, 91406 Orsay Cedex (France)

    2012-12-11

    This work reports the results of a comprehensive study aiming to characterize and optimize the performances of Silicon Photomultipliers (SiPM) as photodetectors for intraoperative beta detection of radiolabeled tumor tissues. In that purpose, we focused our measurements on the influence of temperature and operating voltage on dark noise (count rate and amplitude distribution), absolute photon detection efficiency and total gain of different SiPM devices from Hamamatsu. The impact of these parameters on the overall beta sensitivity of SiPM-based scintillation detectors was quantified as a function of the intensity of the incident light following a simple physical model that is shown to correspond well with measurements.

  6. Optimal Bipartitet Ramanujan Graphs from Balanced Incomplete Block Designs: Their Characterization and Applications to Expander/LDPC Codes

    DEFF Research Database (Denmark)

    Høholdt, Tom; Janwa, Heeralal

    2009-01-01

    We characterize optimaal bipartitet expander graphs and give nessecary and sufficient conditions for optimality. We determine the expansion parameters of the BIBD graphs and show that they yield optimal expander graphs and also bipartitet Ramanujan graphs. in particular, we show that the bipartit...... graphs derived from finite projective and affine geometries yield optimal Ramanujan graphs. This in turn leads to a theoretical explanation of the good performance of a class of LDPC codes....

  7. Recycling of metal-organic chemical vapor deposition waste of GaN based power device and LED industry by acidic leaching: Process optimization and kinetics study

    Science.gov (United States)

    Swain, Basudev; Mishra, Chinmayee; Kang, Leeseung; Park, Kyung-Soo; Lee, Chan Gi; Hong, Hyun Seon; Park, Jeung-Jin

    2015-05-01

    Recovery of metal values from GaN, a metal-organic chemical vapor deposition (MOCVD) waste of GaN based power device and LED industry is investigated by acidic leaching. Leaching kinetics of gallium rich MOCVD waste is studied and the process is optimized. The gallium rich waste MOCVD dust is characterized by XRD and ICP-AES analysis followed by aqua regia digestion. Different mineral acids are used to find out the best lixiviant for selective leaching of the gallium and indium. Concentrated HCl is relatively better lixiviant having reasonably faster kinetic and better leaching efficiency. Various leaching process parameters like effect of acidity, pulp density, temperature and concentration of catalyst on the leaching efficiency of gallium and indium are investigated. Reasonably, 4 M HCl, a pulp density of 50 g/L, 100 °C and stirring rate of 400 rpm are the effective optimum condition for quantitative leaching of gallium and indium.

  8. Characterization of chemical constituents in Rhodiola Crenulate by high-performance liquid chromatography coupled with Fourier-transform ion cyclotron resonance mass spectrometer (HPLC-FT-ICR MS).

    Science.gov (United States)

    Han, Fei; Li, Yanting; Mao, Xinjuan; Xu, Rui; Yin, Ran

    2016-05-01

    In this work, an approach using high-performance liquid chromatography coupled with diode-array detection and Fourier-transform ion cyclotron resonance mass spectrometer (HPLC-FT-ICR MS) for the identification and profiling of chemical constituents in Rhodiola crenulata was developed for the first time. The chromatographic separation was achieved on an Inertsil ODS-3 column (150 mm × 4.6 mm,3 µm) using a gradient elution program, and the detection was performed on a Bruker Solarix 7.0 T mass spectrometer equipped with electrospray ionization source in both positive and negative modes. Under the optimized conditions, a total of 48 chemical compounds, including 26 alcohols and their glycosides, 12 flavonoids and their glycosides, 5 flavanols and gallic acid derivatives, 4 organic acids and 1 cyanogenic glycoside were identified or tentatively characterized. The results indicated that the developed HPLC-FT-ICR MS method with ultra-high sensitivity and resolution is suitable for identifying and characterizing the chemical constituents in R. crenulata. And it provides a helpful chemical basis for further research on R. crenulata. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Characterization of seven United States coal regions. The development of optimal terrace pit coal mining systems

    Energy Technology Data Exchange (ETDEWEB)

    Wimer, R.L.; Adams, M.A.; Jurich, D.M.

    1981-02-01

    This report characterizes seven United State coal regions in the Northern Great Plains, Rocky Mountain, Interior, and Gulf Coast coal provinces. Descriptions include those of the Fort Union, Powder River, Green River, Four Corners, Lower Missouri, Illinois Basin, and Texas Gulf coal resource regions. The resource characterizations describe geologic, geographic, hydrologic, environmental and climatological conditions of each region, coal ranks and qualities, extent of reserves, reclamation requirements, and current mining activities. The report was compiled as a basis for the development of hypothetical coal mining situations for comparison of conventional and terrace pit surface mining methods, under contract to the Department of Energy, Contract No. DE-AC01-79ET10023, entitled The Development of Optimal Terrace Pit Coal Mining Systems.

  10. A multiobjective optimization approach for combating Aedes aegypti using chemical and biological alternated step-size control.

    Science.gov (United States)

    Dias, Weverton O; Wanner, Elizabeth F; Cardoso, Rodrigo T N

    2015-11-01

    Dengue epidemics, one of the most important viral disease worldwide, can be prevented by combating the transmission vector Aedes aegypti. In support of this aim, this article proposes to analyze the Dengue vector control problem in a multiobjective optimization approach, in which the intention is to minimize both social and economic costs, using a dynamic mathematical model representing the mosquitoes' population. It consists in finding optimal alternated step-size control policies combining chemical (via application of insecticides) and biological control (via insertion of sterile males produced by irradiation). All the optimal policies consists in apply insecticides just at the beginning of the season and, then, keep the mosquitoes in an acceptable level spreading into environment a few amount of sterile males. The optimization model analysis is driven by the use of genetic algorithms. Finally, it performs a statistic test showing that the multiobjective approach is effective in achieving the same effect of variations in the cost parameters. Then, using the proposed methodology, it is possible to find, in a single run, given a decision maker, the optimal number of days and the respective amounts in which each control strategy must be applied, according to the tradeoff between using more insecticide with less transmission mosquitoes or more sterile males with more transmission mosquitoes.

  11. D-glucans from edible mushrooms: a review on the extraction, purification and chemical characterization approaches.

    Science.gov (United States)

    Ruthes, Andrea Caroline; Smiderle, Fhernanda Ribeiro; Iacomini, Marcello

    2015-03-06

    D-Glucans from edible mushrooms present diversified chemical structures. The most common type consists of a backbone of β-D-glucose (1→3)-linked frequently branched at O-6 by β-D-glucose residues as side chains. However it is possible to distinguish α-, β- and mixed D-glucans. Further discrimination could be made on the basis of glycosidic bond position in a pyranoid ring, distribution of specific glycosidic bonds along the chain, branching and molecular weight. The present manuscript reviews the processes of extraction, purification and chemical characterization of D-glucans, such as NMR studies, methylation analysis, Smith degradation, and some other methodologies employed in carbohydrate chemistry characterization. In addition, these polysaccharides are important because they can provide many therapeutic benefits related to their biological activity in animals and humans, either immunostimulatory activity, inhibiting tumor growth, as well as exerting antinociceptive and anti-inflammatory action, among others, which are usually attached to their structure, molecular weight and degree of branching.

  12. Chemical characterization and antiherpes activity of sulfated polysaccharides from Lithothamnion muelleri.

    Science.gov (United States)

    Malagoli, Bruna G; Cardozo, Francielle T G S; Gomes, Jose Hugo S; Ferraz, Vany P; Simões, Cláudia M O; Braga, Fernão C

    2014-05-01

    We report herein the chemical characterization and antiherpes activity of polysaccharides from the red alga Lithothamnion muelleri (Hapalidiaceae). The polysaccharide-rich fractions B1 and B2 were obtained by extraction with Na2CO3 and were purified by size exclusion chromatography to afford Fra-B1 and Fra-B2. The polysaccharides were characterized by FT-IR and chemical analysis (total contents of carbohydrates, proteins, sulfate and uronic acid), whereas their average molecular weights were estimated by high performance gel permeation chromatography. The monosaccharide analysis detected galactose, glucose, xylose, mannose, rhamnose and arabinose in the four polysaccharide samples. Antiherpetic in vitro assays showed that B1 and B2 inhibited Herpes Simplex Virus types 1 and 2 (HSV-1 and HSV-2) when added simultaneously to viral infection affording selectivity indices (SI=CC50/EC50) higher than 20. Investigation of the mechanism of action indicated that B1 and B2 act on the initial steps of HSV replication, mainly inhibiting viral adsorption but also viral penetration into the cells.

  13. Physico-chemical characterization of steel slag. Study of its behavior under simulated environmental conditions.

    Science.gov (United States)

    Navarro, Carla; Díaz, Mario; Villa-García, María A

    2010-07-15

    The chemical and mineralogical composition of steel slag produced in two ArcelorMittal steel plants located in the North of Spain, as well as the study of the influence of simulated environmental conditions on the properties of the slag stored in disposal areas, was carried out by elemental chemical analysis, XRF, X-ray diffraction, thermal analysis, and scanning electron microscopy with EDS analyzer. Spectroscopic characterization of the slag was also performed by using FTIR spectroscopy. Due to the potential uses of the slag as low cost adsorbent for water treatment and pollutants removal, its detailed textural characterization was carried out by nitrogen adsorption-desorption at 77 K and mercury intrusion porosimetry. The results show that the slag is a crystalline heterogeneous material whose main components are iron oxides, calcium (magnesium) compounds (hydroxide, oxide, silicates, and carbonate), elemental iron, and quartz. The slags are porous materials with specific surface area of 11 m(2)g(-1), containing both mesopores and macropores. Slag exposure to simulated environmental conditions lead to the formation of carbonate phases. Carbonation reduces the leaching of alkaline earth elements as well as the release of the harmful trace elements Cr (VI) and V. Steel slags with high contents of portlandite and calcium silicates are potential raw materials for CO(2) long-term storage.

  14. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  15. Advances in Chemical and Structural Characterization of Concretion with Implications for Modeling Marine Corrosion

    Science.gov (United States)

    Johnson, Donald L.; DeAngelis, Robert J.; Medlin, Dana J.; Carr, James D.; Conlin, David L.

    2014-05-01

    The Weins number model and concretion equivalent corrosion rate methodology were developed as potential minimum-impact, cost-effective techniques to determine corrosion damage on submerged steel structures. To apply the full potential of these technologies, a detailed chemical and structural characterization of the concretion (hard biofouling) that transforms into iron bearing minerals is required. The fractions of existing compounds and the quantitative chemistries are difficult to determine from x-ray diffraction. Environmental scanning electron microscopy was used to present chemical compositions by means of energy-dispersive spectroscopy (EDS). EDS demonstrates the chemical data in mapping format or in point or selected area chemistries. Selected-area EDS data collection at precise locations is presented in terms of atomic percent. The mechanism of formation and distribution of the iron-bearing mineral species at specific locations will be presented. Based on water retention measurements, porosity in terms of void volume varies from 15 v/o to 30 v/o (vol.%). The void path displayed by scanning electron microscopy imaging illustrates the tortuous path by which oxygen migrates in the water phase within the concretion from seaside to metalside.

  16. Chemical characterization of municipal wastewater sludges produced by two-phase anaerobic digestion for biogas production

    Energy Technology Data Exchange (ETDEWEB)

    Francioso, Ornella, E-mail: ornella.francioso@unibo.it [Dipartimento di Scienze e Tecnologie Agroambientali, V.le Fanin 40, 40127 Bologna (Italy); Rodriguez-Estrada, Maria Teresa [Dipartimento di Scienze degli Alimenti, V.le Fanin 40, 40127 Bologna (Italy); Montecchio, Daniela [Dipartimento di Scienze e Tecnologie Agroambientali, V.le Fanin 40, 40127 Bologna (Italy); Salomoni, Cesare; Caputo, Armando [Biotec sys srl, Via Gaetano Tacconi, 59, 40139 Bologna (Italy); Palenzona, Domenico [Dipartimento di Biologia Evoluzionistica Sperimentale, Via Selmi 3, 40126 Bologna (Italy)

    2010-03-15

    In the present study, the chemical features of municipal wastewater sludges treated in two-phase separate digesters (one for acetogenesis and the other one for methanogenesis), were characterized by using chemical analysis, stable carbon isotope ratios ({delta}{sup 13}C), HS-SPME-GC-MS, TG-DTA analysis and DRIFT spectroscopy. The results obtained showed that sludges from acetogenesis and methanogenesis differed from each other, as well as from influent raw sludges. Both processes exhibited a diverse chemical pattern in term of VFA and VOC. Additional variations were observed for {delta}{sup 13}C values that changed from acetogenesis to methanogenesis, as a consequence of fermentation processes that led to a greater fractionation of {sup 12}C with respect to the {sup 13}C isotope. Similarly, the thermal profiles of acetogenesis and methanogenesis sludges greatly differed in terms of heat combustion produced. These changes were also supported by higher lipid content (probably fatty acids) in acetogenesis than in methanogenesis, as also shown by DRIFT spectroscopy.

  17. Chemical characterization of the dentin/adhesive interface by Fourier transform infrared photoacoustic spectroscopy.

    Science.gov (United States)

    Spencer, P; Byerley, T J; Eick, J D; Witt, J D

    1992-01-01

    Irreversible bonding of composite materials to tooth structure depends on chemical as well as mechanical adhesion. The proposed bonding mechanism for several commercial dental adhesives is chemical adhesion to the dentin surface. The purpose of this in vitro investigation was to characterize the chemical nature of the surface interaction between dentin and two commercial adhesives by use of Fourier transform infrared photoacoustic spectroscopy (FTIR/PAS). The occlusal thirds of the crowns of freshly extracted, non-carious, unerupted human molars were sectioned perpendicular to the long axis. Dentin disks, 6 mm x 2 mm, were prepared from these sectioned teeth. The exposed dentin surface was treated with either Scotchbond 2, a BIS-GMA resin, or Dentin-Adhesit, a polyurethane resin. All spectra were recorded from 4000 to 400 cm-1 by use of an Analect RFX-65 FTIR spectrometer equipped with an MTEC Photoacoustics Model 200 photoacoustic cell. An initial spectrum of the dentin surface was collected. This surface was primed according to manufacturer's instructions and spectra recorded of the primed surface plus one to three layers of adhesive. By comparison of these spectra, it was possible for us to record changes in the phosphate and amide I and II bands due to surface interactions between the adhesive and the dentin. Although early results do not indicate covalent bonding between the dentin and these adhesives, this technique presents several advantages for spectroscopic evaluation of the dentin/adhesive interface.

  18. Physical-chemical characterization of Tunisian clays for the synthesis of geopolymers materials

    Science.gov (United States)

    Selmani, S.; Essaidi, N.; Gouny, F.; Bouaziz, S.; Joussein, E.; Driss, A.; Sdiri, A.; Rossignol, S.

    2015-03-01

    Natural clay materials from Tunisia were examined as an aluminosilicate source for the synthesis of consolidated materials at low temperatures. Three clay samples were collected from the El Kef, Douiret and Gafsa basins and calcined at different temperatures. All of the samples were characterized using chemical and mineralogical analyses, thermogravimetry, dilatometry, and Fourier transform infrared spectroscopy (FTIR) measurements. The chemical (XRF) and mineralogical analyses (XRD and FTIR) indicated that all of the samples contained various amounts of kaolinite and quartz, followed by calcite, mica, palygorskite and gypsum. Curing produced a binder which did not significantly affect the physic-chemical properties of these clays. The obtained materials heterogeneous did not reach the geopolymerization stage, most likely because of their low kaolinite content. The addition of a suitable aluminosilicate to these clays is therefore recommended to produce homogeneous consolidated geopolymers. The synthesized materials obtained after the addition of metakaolin to the formulation to improve reactivity have interesting properties, thereby providing good potential for Tunisian clays in the synthesis of geopolymers.

  19. Extraction and derivatization of Leucaena leucocephala (Lam.) galactomannan: Optimization and characterization.

    Science.gov (United States)

    Mittal, Neeraj; Mattu, Pooja; Kaur, Gurpreet

    2016-11-01

    Water soluble gums also known as hydrocolloids are increasingly finding applications in the pharmaceutical and food industry due to their versatile functional properties. They possess considerable use in food and pharmaceutical industries as emulsifying, thickening and gelling agents. In the present investigation a heteropolysaccharide galactomannan was extracted from Leucaena leucocephala (Lam.) seeds by an aqueous method, characterized for its compositional analysis (mannose: galactose ratio), physicochemical and functional properties (solubility), and mechanical properties. The extracted gum was derivatized to form its carboxymethyl derivative and the method of its derivatization was optimized by varying the reaction parameters. The native and derivatized gum was characterized by FTIR, XRD, DSC, NMR, SEM and elemental analysis, etc. The yield of Leucaena leucocephala galactomannan (LLG) was found to be 20% (w/w). The optimized parameters for carboxymethylation reaction (degree of substitution 0.805) were found to be 6.0g NaOH, 10.0g MCA, at 60°C for 4h. The physicochemical and functional characteristics of native and derivatized gum suggest its potential role in food and pharmaceutical industries.

  20. Extraction optimization, preliminary characterization and immunological activities in vitro of polysaccharides from Elaeagnus angustifolia L. pulp.

    Science.gov (United States)

    Du, Hongtao; Chen, Juncheng; Tian, Shan; Gu, Hongling; Li, Na; Sun, Yao; Ru, Jiajia; Wang, Junru

    2016-10-20

    In this research, extraction optimization, preliminary characterization and immunological activities in vitro of polysaccharides from Elaeagnus angustifolia L. pulp were investigated. A response surface methodology (RSM) with a Box-Behnken design (BBD) was used to optimize the extraction process. The maximum EAP yield was 9.82±0.38%, which is in good agreement with the predicted value (9.93±0.24%). Two homogeneous polysaccharides, EAP-1a and EAP-1b with molecular weights of 8.70kDa and 4.39kDa respectively, were prepared by DEAE-52 cellulose and Sephadex G-100 columns and characterized by HPLC, HPGPC, and FT-IR. Three polysaccharides (EAP, EAP-1a and EAP-1b) could stimulate macrophages to release NO and enhance phagocytic activities of RAW 264.7 cells in dose-dependent manner. Moreover, there was no significant difference between crude EAP group (400μg/mL) and positive control group (LPS) in effects on macrophages. The results implied that EAP had the potential to be developed as natural medicines or health foods.

  1. Application of integrated reservoir management and reservoir characterization to optimize infill drilling

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-04-01

    This project has used a multi-disciplinary approach employing geology, geophysics, and engineering to conduct advanced reservoir characterization and management activities to design and implement an optimized infill drilling program at the North Robertson (Clearfork) Unit in Gaines County, Texas. The activities during the first Budget Period consisted of developing an integrated reservoir description from geological, engineering, and geostatistical studies, and using this description for reservoir flow simulation. Specific reservoir management activities were identified and tested. The geologically targeted infill drilling program currently being implemented is a result of this work. A significant contribution of this project is to demonstrate the use of cost-effective reservoir characterization and management tools that will be helpful to both independent and major operators for the optimal development of heterogeneous, low permeability shallow-shelf carbonate (SSC) reservoirs. The techniques that are outlined for the formulation of an integrated reservoir description apply to all oil and gas reservoirs, but are specifically tailored for use in the heterogeneous, low permeability carbonate reservoirs of West Texas.

  2. Mechanical characterization of soft viscoelastic gels via indentation and optimization-based inverse finite element analysis.

    Science.gov (United States)

    Liu, Kaifeng; VanLandingham, Mark R; Ovaert, Timothy C

    2009-08-01

    Polymer gels are widely accepted as candidate materials for tissue engineering, drug delivery, and orthopedic load-bearing applications. In addition, their mechanical and physical properties can be tailored to meet a wide range of design requirements. For soft gels whose elastic modulus is in the kPa range, mechanical characterization by bulk mechanical testing methods presents challenges, for example, in sample preparation, fixture design, gripping, and/or load measurement accuracy. Nanoindentation, however, has advantages when characterizing the mechanical properties of soft materials. This study was aimed at investigating the application of an inverse finite element analysis technique to identify material parameters of polymer gels via nanoindentation creep testing, optimization, and finite element simulation. Nanoindentation experiments were conducted using a rigid circular flat punch, and then simulated using the commercial software ABAQUS. The optimization (error minimization) procedure was integrated in the parameter determination process using a Matlab shell program, which makes this approach readily adaptable to other test geometries and material models. The finite element results compare well with a derived analytical viscoelastic solution for a rigid circular flat punch on a Kelvin-Voigt half-space.

  3. Chemical Mineralogy, Geochemical Characterization and Petrography of the Cambumbia Stock, Northern Andes, South America, Colombia

    Science.gov (United States)

    Rojas Lequerica, Salvador; María Jaramillo Mejía, José; Concha Perdomo, Ana Elena; Jimenez Quintero, Camilo

    2013-04-01

    The Cambumbia Stock is located on the western flank of the Central Cordillera of the northern Andes, South America. The goals of this study were to characterize the mineral chemistry, the geochemical composition and the petrography of the Cambumbia igneous body and to establish its petrogenesis. We collected 41 samples, selected 28 for thin section petrographic analysis, 14 for whole rock elementary chemical determination by ICP-MS and 4 for chemical mineralogy by LA-ICP(JEOL JXA-8200). Petrographically the samples were classified as 30 % hornblende-gabbro, 30% pyroxene-gabbros, 10% diorites, 10% olivine-gabbro, 7% gabbronorites, 7% tonalities and 3% norite, 3% wehrlite, the rock varies from medium to coarse hipidiomorfic and holocristaline texture, with local microporfiritic texture. Spot elemental chemical analysis of the some minerals in 4 samples show the range of the major elemental composition is plagioclase (labradorite), clinopyroxene (augite), horblende (magnesiohornblende), olivine (fayalite())Chemical mineralogy shows the variety of minerals in this rock, essential minerals correspond to bytownite, augite, magnesio-honblende, fallaite and titanite. We conclude base on the SiO2 Vs Total Alkalis graph that the samples correspond to the sub-alkaline series with low K content, mainly in the calc-alkaline series. By using the SiO2 vs TiO2, Th/Yb vs Ta/Yb and Zr/117-Th-Nb/16 diagrams it was determined that these rocks were generated in two geotectonic environments: one type MOR (extension) and other island arc (subduction, compression). Recently, a U/Pb age was obtained by the Universidad de Caldas in zircon in 2009 (not published data), yielded an age of 233.41 ± 3.4 Ma (Carnian - Upper Triassic). Petrographic geochemical and geochronology comparisons between the rocks of Cambumbia Stock and Diorite and Gabbro El Pueblito (located about 25 km to the north-west) and with U/Pb age 231 ± 8 may postulate a possible genetic link between them. These ages are

  4. Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method - Combustion of methane

    Science.gov (United States)

    Frenklach, Michael; Wang, Hai; Rabinowitz, Martin J.

    1992-01-01

    A method of systematic optimization, solution mapping, as applied to a large-scale dynamic model is presented. The basis of the technique is parameterization of model responses in terms of model parameters by simple algebraic expressions. These expressions are obtained by computer experiments arranged in a factorial design. The developed parameterized responses are then used in a joint multiparameter multidata-set optimization. A brief review of the mathematical background of the technique is given. The concept of active parameters is discussed. The technique is applied to determine an optimum set of parameters for a methane combustion mechanism. Five independent responses - comprising ignition delay times, pre-ignition methyl radical concentration profiles, and laminar premixed flame velocities - were optimized with respect to thirteen reaction rate parameters. The numerical predictions of the optimized model are compared to those computed with several recent literature mechanisms. The utility of the solution mapping technique in situations where the optimum is not unique is also demonstrated.

  5. Optimism

    Science.gov (United States)

    Carver, Charles S.; Scheier, Michael F.; Segerstrom, Suzanne C.

    2010-01-01

    Optimism is an individual difference variable that reflects the extent to which people hold generalized favorable expectancies for their future. Higher levels of optimism have been related prospectively to better subjective well-being in times of adversity or difficulty (i.e., controlling for previous well-being). Consistent with such findings, optimism has been linked to higher levels of engagement coping and lower levels of avoidance, or disengagement, coping. There is evidence that optimism is associated with taking proactive steps to protect one's health, whereas pessimism is associated with health-damaging behaviors. Consistent with such findings, optimism is also related to indicators of better physical health. The energetic, task-focused approach that optimists take to goals also relates to benefits in the socioeconomic world. Some evidence suggests that optimism relates to more persistence in educational efforts and to higher later income. Optimists also appear to fare better than pessimists in relationships. Although there are instances in which optimism fails to convey an advantage, and instances in which it may convey a disadvantage, those instances are relatively rare. In sum, the behavioral patterns of optimists appear to provide models of living for others to learn from. PMID:20170998

  6. Extracellular α-Galactosidase from Trichoderma sp. (WF-3: Optimization of Enzyme Production and Biochemical Characterization

    Directory of Open Access Journals (Sweden)

    Aishwarya Singh Chauhan

    2015-01-01

    Full Text Available Trichoderma spp. have been reported earlier for their excellent capacity of secreting extracellular α-galactosidase. This communication focuses on the optimization of culture conditions for optimal production of enzyme and its characterization. The evaluation of the effects of different enzyme assay parameters such as stability, pH, temperature, substrate concentrations, and incubation time on enzyme activity has been made. The most suitable buffer for enzyme assay was found to be citrate phosphate buffer (50 mM, pH 6.0 for optimal enzyme activity. This enzyme was fairly stable at higher temperature as it exhibited 72% activity at 60°C. The enzyme when incubated at room temperature up to two hours did not show any significant loss in activity. It followed Michaelis-Menten curve and showed direct relationship with varying substrate concentrations. Higher substrate concentration was not inhibitory to enzyme activity. The apparent Michaelis-Menten constant (Km, maximum rate of reaction (Vmax, Kcat, and catalytic efficiency values for this enzyme were calculated from the Lineweaver-Burk double reciprocal plot and were found to be 0.5 mM, 10 mM/s, 1.30 U mg−1, and 2.33 U mg−1 mM−1, respectively. This information would be helpful in understanding the biophysical and biochemical characteristics of extracellular α-galactosidase from other microbial sources.

  7. Characterization and optimization of an ultrasonic piezo-optical ring sensor

    Science.gov (United States)

    Frankforter, Erik; Lin, Bin; Giurgiutiu, Victor

    2016-04-01

    A resonant piezo-optical ring sensor with both piezoelectric and fiber Bragg grating (FBG) sensing elements was assessed for ultrasonic wave detection. The ring sensor is an existing device that has been shown experimentally to exhibit a number of sensing features: omnidirectionality, mode selectivity, and frequency tunability. The present study uses finite element modeling to understand these features as a means to characterize and optimize the sensor. A combined vibration-wave propagation modeling approach was used, where the vibrational modeling provided a basis for understanding sensing features, and the wave propagation modeling provided predictive power for sensor performance. The sensor features corresponded to the fundamental vibrational mode of the sensor, particularly to the base motion of this mode. The vibrational modeling was also used to guide sensor optimization, with an emphasis on the FBG and piezoelectric sensing elements. It was found that sensor symmetry and nodes of extraneous resonance modes could be exploited to provide a single-resonance response. A series of pitch-catch guided wave experiments were performed on a thin aluminum plate to assess the optimized sensor configuration. Tuning curves showed a single-frequency response to a Lamb wave and mechanical filtering away from the dominant frequency; the sensor capability for mechanical amplification of a Lamb wave and mechanical amplification of a pencil-lead-break acoustic emission event were also demonstrated.

  8. Design, Characterization, and Optimization of Controlled Drug Delivery System Containing Antibiotic Drug/s

    Science.gov (United States)

    Shelate, Pragna; Dave, Divyang

    2016-01-01

    The objective of this work was design, characterization, and optimization of controlled drug delivery system containing antibiotic drug/s. Osmotic drug delivery system was chosen as controlled drug delivery system. The porous osmotic pump tablets were designed using Plackett-Burman and Box-Behnken factorial design to find out the best formulation. For screening of three categories of polymers, six independent variables were chosen for Plackett-Burman design. Osmotic agent sodium chloride and microcrystalline cellulose, pore forming agent sodium lauryl sulphate and sucrose, and coating agent ethyl cellulose and cellulose acetate were chosen as independent variables. Optimization of osmotic tablets was done by Box-Behnken design by selecting three independent variables. Osmotic agent sodium chloride, pore forming agent sodium lauryl sulphate, and coating agent cellulose acetate were chosen as independent variables. The result of Plackett-Burman and Box-Behnken design and ANOVA studies revealed that osmotic agent and pore former had significant effect on the drug release up to 12 hr. The observed independent variables were found to be very close to predicted values of most satisfactory formulation which demonstrates the feasibility of the optimization procedure in successful development of porous osmotic pump tablets containing antibiotic drug/s by using sodium chloride, sodium lauryl sulphate, and cellulose acetate as key excipients. PMID:27610247

  9. Optimization of enzyme-assisted extraction and characterization of polysaccharides from Hericium erinaceus.

    Science.gov (United States)

    Zhu, Yang; Li, Qian; Mao, Guanghua; Zou, Ye; Feng, Weiwei; Zheng, Daheng; Wang, Wei; Zhou, Lulu; Zhang, Tianxiu; Yang, Jun; Yang, Liuqing; Wu, Xiangyang

    2014-01-30

    The enzyme-assisted extraction (EAE) of polysaccharides from the fruits of Hericium erinaceus was studied. In this study, response surface methodology and the Box-Behnken design based on single-factor and orthogonal experiments were applied to optimize the EAE conditions. The optimal extraction conditions were as follows: a pH of 5.71, a temperature of 52.03°C and a time of 33.79 min. The optimal extraction conditions resulted in the highest H. erinaceus polysaccharides (HEP) yield, with a value 13.46 ± 0.37%, which represented an increase of 67.72% compared to hot water extraction (HWE). The polysaccharides were characterized by FT-IR, SEM, CD, AFM, and GC. The results showed that HEP was composed of mannose, glucose, xylose, and galactose in a molar ratio of 15.16:5.55:4.21:1. The functional groups of the H. erinaceus polysaccharides extracted by HWE and EAE were fundamentally identical but had apparent conformational changes.

  10. Optimal image reconstruction for detection and characterization of small pulmonary nodules during low-dose CT

    Energy Technology Data Exchange (ETDEWEB)

    Hashemi, SayedMasoud; Cobbold, Richard S.C. [University of Toronto, Institute of Biomaterial and Biomedical Engineering, Toronto, ON (Canada); Mehrez, Hatem [Toshiba of Canada Ltd, Markham, ON (Canada); Paul, Narinder S. [University Health Network, Medical Imaging, Toronto General Hospital, Toronto, ON (Canada)

    2014-06-15

    To optimize the slice thickness/overlap parameters for image reconstruction and to study the effect of iterative reconstruction (IR) on detectability and characterization of small non-calcified pulmonary nodules during low-dose thoracic CT. Data was obtained from computer simulations, phantom, and patient CTs. Simulations and phantom CTs were performed with 9 nodules (5, 8, and 10 mm with 100, -630, and -800 HU). Patient data were based on 11 ground glass opacities (GGO) and 9 solid nodules. For each analysis the nodules were reconstructed with filtered back projection and IR algorithms using 10 different combinations of slice thickness/overlap (0.5-5 mm). The attenuation (CT) and the contrast to noise ratio (CNR) were measured. Spearman's coefficient was used to correlate the error in CT measurements and slice thickness. Paired Student's t test was used to measure the significance of the errors. CNR measurements: CNR increases with increasing slice thickness/overlap for large nodules and peaks at 4.0/2.0 mm for smaller ones. Use of IR increases the CNR of GGOs by 60 %. CT measurements: Increasing slice thickness/overlap above 3.0/1.5 mm results in decreased CT measurement accuracy. Optimal detection of small pulmonary nodules requires slice thickness/overlap of 4.0/2.0 mm. Slice thickness/overlap of 2.0/2.0 mm is required for optimal nodule characterization. IR improves conspicuity of small ground glass nodules through a significant increase in nodule CNR. (orig.)

  11. Optimizing Multi-Station Template Matching to Identify and Characterize Induced Seismicity in Ohio

    Science.gov (United States)

    Brudzinski, M. R.; Skoumal, R.; Currie, B. S.

    2014-12-01

    As oil and gas well completions utilizing multi-stage hydraulic fracturing have become more commonplace, the potential for seismicity induced by the deep disposal of frac-related flowback waters and the hydraulic fracturing process itself has become increasingly important. While it is rare for these processes to induce felt seismicity, the recent increase in the number of deep injection wells and volumes injected have been suspected to have contributed to a substantial increase of events = M 3 in the continental U.S. over the past decade. Earthquake template matching using multi-station waveform cross-correlation is an adept tool for investigating potentially induced sequences due to its proficiency at identifying similar/repeating seismic events. We have sought to refine this approach by investigating a variety of seismic sequences and determining the optimal parameters (station combinations, template lengths and offsets, filter frequencies, data access method, etc.) for identifying induced seismicity. When applied to a sequence near a wastewater injection well in Youngstown, Ohio, our optimized template matching routine yielded 566 events while other template matching studies found ~100-200 events. We also identified 77 events on 4-12 March 2014 that are temporally and spatially correlated with active hydraulic fracturing in Poland Township, Ohio. We find similar improvement in characterizing sequences in Washington and Harrison Counties, which appear to be related to wastewater injection and hydraulic fracturing, respectively. In the Youngstown and Poland Township cases, focal mechanisms and double difference relocation using the cross-correlation matrix finds left-lateral faults striking roughly east-west near the top of the basement. We have also used template matching to determine isolated earthquakes near several other wastewater injection wells are unlikely to be induced based on a lack of similar/repeating sequences. Optimized template matching utilizes

  12. Zinc oxide nanoparticles synthesis by electrochemical method: Optimization of parameters for maximization of productivity and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Anand, Vikky; Srivastava, Vimal Chandra, E-mail: vimalcsr@yahoo.co.in

    2015-07-05

    Highlights: • Preparation of zinc oxide nanoparticles by electrochemical method. • Zinc electrode used as cathode and anode and oxalic acid as an electrolyte. • Study of the effect of pH, electrolyte concentration, conductivity and operating voltage. • Optimization of productivity by Taguchi methodology. • Nanoparticles characterized by XRD, SEM, UV-DRS techniques. - Abstract: In this study, zinc oxide nanoparticles were synthesized using electrochemical method. Zinc was used as electrode whereas oxalic acid in aqueous solution was used as an electrolyte. A L{sub 9} (3{sup 4}) Taguchi optimization methodology was used to find out the individual and interactive effect of all four independent experimental parameters namely pH (pH{sub o}): 5–8, oxalic acid concentration (m): 0.05–0.15 M, conductivity (k): 20–30 (mS/cm) and operating voltage (V{sub o}): 5–8 V. These experimental parameters were optimized so as to maximize the productivity (g) and correspondingly find out specific energy consumption (kW h/kg) and specific electrode consumption (kg/kg). At the optimum condition of pH{sub o} = 5, m = 0.05 M, k = 30 (mS/cm) and V{sub o} = 8 V, values of productivity, SENC and SELC were found to be 1.03 g, 3.79 kW h/kg and 1.76 kg/kg, respectively. Nanoparticles synthesized at optimum conditions have been further characterized by scanning electron microscopy, X-ray diffraction and UV–Visible diffuse reflectance spectroscopy techniques so as to confirm its ZnO nature.

  13. Characterization of the chemical composition of a block copolymer by liquid chromatography/mass spectrometry using atmospheric pressure chemical ionization and electrospray ionization

    NARCIS (Netherlands)

    Leeuwen, van Suze M.; Tan, BoonHua; Grijpma, Dirk W.; Feijen, J.; Karst, Uwe

    2007-01-01

    Liquid chromatography/mass spectrometry (LC/MS) with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) in the positive and negative ion modes was used for the characterization of a block copolymer consisting of methoxy poly(ethylene oxide) (mPEO), an -caprolactone (CL

  14. Characterization of the chemical composition of a block copolymer by liquid chromatography/mass spectrometry using atmospheric pressure chemical ionization and electrospray ionization

    NARCIS (Netherlands)

    van Leeuwen, Suze M.; Tan, BoonHua; Grijpma, Dirk W.; Fejen, Jan; Karst, Uwe

    2007-01-01

    Liquid chromatography/mass spectrometry (LC/MS) with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) in the positive and negative ion modes was used for the characterization of a block copolymer consisting of methoxy poly(ethylene oxide) (mPEO), an epsilon-caprolact

  15. Selection of appropriate training and validation set chemicals for modelling dermal permeability by U-optimal design.

    Science.gov (United States)

    Xu, G; Hughes-Oliver, J M; Brooks, J D; Yeatts, J L; Baynes, R E

    2013-01-01

    Quantitative structure-activity relationship (QSAR) models are being used increasingly in skin permeation studies. The main idea of QSAR modelling is to quantify the relationship between biological activities and chemical properties, and thus to predict the activity of chemical solutes. As a key step, the selection of a representative and structurally diverse training set is critical to the prediction power of a QSAR model. Early QSAR models selected training sets in a subjective way and solutes in the training set were relatively homogenous. More recently, statistical methods such as D-optimal design or space-filling design have been applied but such methods are not always ideal. This paper describes a comprehensive procedure to select training sets from a large candidate set of 4534 solutes. A newly proposed 'Baynes' rule', which is a modification of Lipinski's 'rule of five', was used to screen out solutes that were not qualified for the study. U-optimality was used as the selection criterion. A principal component analysis showed that the selected training set was representative of the chemical space. Gas chromatograph amenability was verified. A model built using the training set was shown to have greater predictive power than a model built using a previous dataset [1].

  16. Optimizing hollow-fiber-based pharmacokinetic assay via chemical stability study to account for inaccurate simulated drug clearance of rifampicin.

    Science.gov (United States)

    New, Lee Sun; Lim, Tze Peng; Oh, Jing Wen; Cheah, Gavin Jia Sheng; Kwa, Andrea L; Chan, Eric Chun Yong

    2013-02-01

    With increasing multidrug resistance coupled to a poor development pipeline, clinicians are exploring antimicrobial combinations to improve treatment outcomes. In vitro hollow-fiber infection model (HFIM) is employed to simulate human in vivo drug clearance and investigate pharmacodynamic synergism of antibiotics. Our overarching aim was to optimize the HFIM-based pharmacokinetic (PK) assay by using rifampicin and polymyxin B as probe drugs. An ultrapressure liquid chromatography tandem mass spectrometry method was validated for the quantification of rifampicin and polymyxin B components. In vitro profiling studies demonstrated that the experimental PK profiles of polymyxin B monotherapy were well correlated with the human population PK data while monotherapy with rifampicin failed to achieve the expected maximum plasma concentration. Chemical stability studies confirmed polymyxin B was stable in broth at 37 °C up to 12 h while rifampicin was unstable under the same conditions over 12 and 80 h. The calculated mean clearance of rifampicin due to chemical degradation was 0.098 ml/min accounting for 12.2 % of its clinical total clearance (CL = 0.8 ml/min) based on population PK data. Our novel finding reinforces the importance to optimize HFIM-based PK assay by performing chemical stability study so as to account for potential discrepancy between experimental and population PK profiles of antimicrobial agents.

  17. Physical and chemical characterizations of corn stover and poplar solids resulting from leading pretreatment technologies.

    Science.gov (United States)

    Kumar, Rajeev; Mago, Gaurav; Balan, Venkatesh; Wyman, Charles E

    2009-09-01

    In order to investigate changes in substrate chemical and physical features after pretreatment, several characterizations were performed on untreated (UT) corn stover and poplar and their solids resulting pretreatments by ammonia fiber expansion (AFEX), ammonia recycled percolation (ARP), controlled pH, dilute acid, flowthrough, lime, and SO(2) technologies. In addition to measuring the chemical compositions including acetyl content, physical attributes determined were biomass crystallinity, cellulose degree of polymerization, cellulase adsorption capacity of pretreated solids and enzymatically extracted lignin, copper number, FT-IR responses, scanning electron microscopy (SEM) visualizations, and surface atomic composition by electron spectroscopy of chemical analysis (ESCA). Lime pretreatment removed the most acetyl groups from both corn stover and poplar, while AFEX removed the least. Low pH pretreatments depolymerized cellulose and enhanced biomass crystallinity much more than higher pH approaches. Lime pretreated corn stover solids and flowthrough pretreated poplar solids had the highest cellulase adsorption capacity, while dilute acid pretreated corn stover solids and controlled pH pretreated poplar solids had the least. Furthermore, enzymatically extracted AFEX lignin preparations for both corn stover and poplar had the lowest cellulase adsorption capacity. ESCA results showed that SO(2) pretreated solids had the highest surface O/C ratio for poplar, but for corn stover, the highest value was observed for dilute acid pretreatment with a Parr reactor. Although dependent on pretreatment and substrate, FT-IR data showed that along with changes in cross linking and chemical changes, pretreatments may also decrystallize cellulose and change the ratio of crystalline cellulose polymorphs (Ialpha/Ibeta).

  18. Chemical Characterization of Low Molecular Weight Soluble Microbial Products in an Anaerobic Membrane Bioreactor.

    Science.gov (United States)

    Kunacheva, Chinagarn; Le, Chencheng; Soh, Yan Ni Annie; Stuckey, David C

    2017-02-21

    Effluents from wastewater treatment systems contain a variety of organic compounds, including end products from the degradation of influent substrates, nonbiodegradable feed compounds, and soluble microbial products (SMPs) produced by microbial metabolism. It is important to identify the major components of these SMPs to understand what is in wastewater effluents. In this study, physical pretreatments to extract and concentrate low molecular weight SMPs (MW< 580 Da) from effluents were optimized. Liquid-liquid extraction (LLE) of a 200 mL effluent sample showed the best performance using a mixture of n-hexane, chloroform, and dichloromethane (70 mL) for extraction. For solid phase extraction (SPE), two OasisHLB cartridges were connected in-line to optimize recovery, and the eluted samples from each cartridge were analyzed separately to avoid overlapping peaks. Four solvents varying from polar to nonpolar (methanol, acetone, dichloromethane, and n-hexane) were selected to maximize the number of compound peaks eluted. A combination of SPE (OasisHLB) followed by LLE was shown to maximize compound identification and quantification. However, the compounds identified accounted for only 2.1 mg of chemical oxygen demand (COD)/L (16% of total SMP as COD) because many SMPs have considerably higher MWs. Finally, the method was validated by analyzing a variety of different reactor effluents and feeds.

  19. Modification process optimization, characterization and adsorption property of granular fir-based activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Congjin, E-mail: gxdxccj@163.com [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology, Guangxi University, Nanning 530004 (China); Li, Xin [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Tong, Zhangfa [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology, Guangxi University, Nanning 530004 (China); Li, Yue [School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004 (China); Li, Mingfei [Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing 100083 (China)

    2014-10-01

    Highlights: • Granular fir-based activated carbon (GFAC) was modified with H{sub 2}O{sub 2}. • Orthogonal array design method was used to optimize the modification process. • Optimized parameters were: aqueous H{sub 2}O{sub 2} concentration 1.0 mol l{sup −1}, modification temperature and time 30.0 °C and 4.0 h. • Adsorption capacity of the modified GFAC increased by 500.0% (caramel), 59.7% (methylene blue), 32.5% (phenol), and 15.1% (I{sub 2}). • The pore structure parameters and surface oxygen groups changed in the modified GFAC. - Abstract: Granular fir-based activated carbon (GFAC) was modified with H{sub 2}O{sub 2}, and orthogonal array experimental design method was used to optimize the process. The properties of the original and modified GFAC were characterized by N{sub 2} adsorption–desorption isotherms, Brunauer–Emmett–Teller (BET) equation, Barett–Joyner–Halenda (BJH) equation, field emission scanning electron microscopy (FESEM), and Fourier transform infrared spectroscopy (FT-IR) analysis, etc. When 10.00 g of GFAC with particle size of 0.25–0.85 mm was modified by 150.0 ml of aqueous H{sub 2}O{sub 2} solution, the optimized conditions were found to be as follows: aqueous H{sub 2}O{sub 2} solution concentration 1.0 mol·l{sup −1}, modification temperature 30.0 °C, modification time 4.0 h. Modified under the optimized conditions, decolonization of caramel, methylene blue adsorption, phenol adsorption and iodine number of the modified GFAC increased by 500.0%, 59.7%, 32.5%, and 15.1%, respectively. The original and optimally modified GFAC exhibited adsorption isotherms of hybrid Type I–IV isotherms with H4 hysteresis. BET surface area, micropore area, total pore volume, micropore volume, and microporosity of the modified GFAC increased by 7.33%, 11.25%, 3.89%, 14.23%, 9.91%, respectively. Whereas the average pore width decreased by 3.16%. In addition, the amount of surface oxygen groups (such as carbonyl or carboxyl) increased

  20. Long-term Chemical Characterization of Submicron Aerosol Particles in the Amazon Forest - ATTO Station

    Science.gov (United States)

    Carbone, S.; Brito, J.; Rizzo, L. V.; Holanda, B. A.; Cirino, G. G.; Saturno, J.; Krüger, M. L.; Pöhlker, C.; Ng, N. L.; Xu, L.; Andreae, M. O.; Artaxo, P.

    2015-12-01

    The study of the chemical composition of aerosol particles in the Amazon forest represents a step forward to understand the strong coupling between the atmosphere and the forest. For this reason submicron aerosol particles were investigated in the Amazon forest, where biogenic and anthropogenic aerosol particles coexist at the different seasons (wet/dry). The measurements were performed at the ATTO station, which is located about 150 km northeast of Manaus. At ATTO station the Aerosol chemical speciation monitor (ACSM, Aerodyne) and the Multiangle absorption photometer (MAAP, Thermo 5012) have been operated continuously from March 2014 to July 2015. In this study, long-term measurements (near-real-time, ~30 minutes) of PM1 chemical composition were investigated for the first time in this environment.The wet season presented lower concentrations than the dry season (~5 times). In terms of chemical composition, both seasons were dominated by organics (75 and 63%) followed by sulfate (11 and 13%). Nitrate presented different ratio values between the mass-to-charges 30 to 46 (main nitrate fragments) suggesting the presence of nitrate as inorganic and organic nitrate during both seasons. The results indicated that about 75% of the nitrate signal was from organic nitrate during the dry season. In addition, several episodes with elevated amount of chloride, likely in the form of sea-salt from the Atlantic Ocean, were observed during the wet season. During those episodes, chloride comprised up to 7% of the PM1. During the dry season, chloride was also observed; however, with different volatility, which suggested that Chloride was present in different form and source. Moreover, the constant presence of sulfate and BC during the wet season might be related to biomass burning emissions from Africa. BC concentration was 2.5 times higher during the dry season. Further characterization of the organic fraction was accomplished with the positive matrix factorization (PMF), which

  1. Optimization Method of Chemical Cleaning of Horizontal Steam Generator in PWR

    Institute of Scientific and Technical Information of China (English)

    TIAN; Jue; WANG; Hui; CAO; Lin-yuan

    2015-01-01

    China has introduced two WWER-1000/428nuclear power units from Russia at present,each unit includes four PGV-1000M horizontal steam generators.According to the components data analysis of horizontal steam generator’s secondary side sediments,the single variable functions optimizing test was made based on the original

  2. AB-stacked multilayer graphene synthesized via chemical vapor deposition: a characterization by hot carrier transport.

    Science.gov (United States)

    Diaz-Pinto, Carlos; De, Debtanu; Hadjiev, Viktor G; Peng, Haibing

    2012-02-28

    We report the synthesis of AB-stacked multilayer graphene via ambient pressure chemical vapor deposition on Cu foils and demonstrate a method to construct suspended multilayer graphene devices. In four-terminal geometry, such devices were characterized by hot carrier transport at temperatures down to 240 mK and in magnetic fields up to 14 T. The differential conductance (dI/dV) shows a characteristic dip at longitudinal voltage bias V = 0 at low temperatures, indicating the presence of hot electron effect due to a weak electron-phonon coupling. Under magnetic fields, the magnitude of the dI/dV dip diminishes through the enhanced intra-Landau level cyclotron phonon scattering. Our results provide new perspectives in obtaining and understanding AB-stacked multilayer graphene, important for future graphene-based applications.

  3. Characterization and Wettability of ZnO Film Prepared by Chemical Etching Method

    Institute of Scientific and Technical Information of China (English)

    GUO Hua-xi; JIA Hui-ying; ZENG Jian-bo; CONG Qian; REN Lu-quan

    2013-01-01

    ZnO thin films were prepared by a chemical etching method and their wettability was investigated.The structure and surface composition structure were characterized by means of scanning electron microscopy,X-ray photoelectronic spectrometry(XPS),X-ray diffraction(XRD) and Raman spectrometry.These analyses reveal that the etched films were large-scale micro-nanohierarchical structures composed of a Zn core and a ZnO coating.Superhydrophobic surfaces with water contact angles of over 150° were obtained by n-octadecanethiol(ODT) modification.The XPS and Raman results indicate that ODT molecules were bound to the ZnO surface with the S head group by forming Zn—S bond.

  4. Polymeric imidazolium ionic liquids as valuable stationary phases in gas chromatography: chemical synthesis and full characterization.

    Science.gov (United States)

    González-Álvarez, Jaime; Blanco-Gomis, Domingo; Arias-Abrodo, Pilar; Díaz-Llorente, Daniel; Ríos-Lombardía, Nicolás; Busto, Eduardo; Gotor-Fernández, Vicente; Gutiérrez-Álvarez, María Dolores

    2012-04-06

    Seven new functionalized polymerizable ionic liquids were chemically prepared, and later applied for the preparation of polymeric stationary phases in gas chromatography. These coated GC columns, which exhibited good thermal stabilities (240-300°C) and very high efficiencies (3120-4200 plates/m), have been characterized using the Abraham solvation parameter model. The chromatographic behavior of these polymeric IL columns has been deeply studied observing excellent selectivities in the separation of many organic substances such as alkanes, ketones, alcohols, amines or esters in mixtures of polar and non polar solvents or fragrances. Remarkably, the challenging separation of xylene isomers has been possible using a bis(trifluoromethylsulfonyl)amide based imidazolium IL coated column as a gas chromatography stationary phase.

  5. Characterization of chemical bath deposited buffer layers for thin film solar cell applications

    Energy Technology Data Exchange (ETDEWEB)

    Dwyer, D.; Efstathiadis, H.; Haldar, P. [College of Nanoscale Science and Engineering, University at Albany - State University of New York, 257 Fuller Rd., Albany, NY 12203 (United States); Sun, R. [Angstrom Sun Technologies Inc., 33 Nagog Park, Acton, MA 01720 (United States)

    2010-10-15

    Cadmium sulfide (CdS), indium sulfide (In{sub 2}S{sub 3}) and zinc sulfide (ZnS) thin films have been deposited by chemical bath deposition (CBD) for buffer layer applications in Cu-chalcopyrite-based thin film solar cells. Films were characterized by scanning electron microscopy (SEM), UV-Vis transmission, X-ray photoelectron spectroscopy (XPS), grazing-incidence X-ray diffraction (GIXRD), and spectroscopic ellipsometry. Results indicate CdS can be deposited with low oxygen content and high light transmission over 245-1700 nm. CBD-ZnS and CBD-InS both exhibit 5-10% less light transmission than CdS in the same thickness range. In terms of light transmission and degree of impurities CdS appears to be a better buffer material than CBD-ZnS or CBD-InS. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  6. Physical and chemical characterization of titanium-alginate samples for biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Morani, L.M.; Ribeiro, A.A.; Oliveira, M.V. de; Dantas, F.M.L., E-mail: marize.varella@int.gov.b [Instituto Nacional de Tecnologia (INT), Rio de Janeiro, RJ (Brazil); Leao, M.H.M.R. [Universidade Federal do Rio de Janeiro (EQ/UFRJ), RJ (Brazil). Escola de Quimica

    2010-07-01

    The sol-gel technique combined with powder metallurgy may be an alternative to produce titanium parts for bioengineering, with the advantage of eliminating the powder compaction step, which may introduce defects. The present work introduces a system consisted of titanium powder and sodium alginate suspension, which undergoes reticulation in contact with a calcium salt solution, obtaining titanium/calcium alginate hydrogel with granule morphology. The characterization of the raw materials and granules of calcium alginate and titanium/calcium alginate was performed by x-ray fluorescence spectroscopy and thermogravimetric analysis. The granules topography was analyzed by scanning electron microscopy/EDS. Titanium and sodium alginate chemical composition were adequate for use as raw materials, showing that the methodology used is suitable for processing titanium samples for further consolidation by sintering, in order to produce titanium parts. (author)

  7. Chemical characterization of the pulp, peel and seeds of cocona (Solanum sessiliflorum Dunal

    Directory of Open Access Journals (Sweden)

    Liliana SERNA-COCK

    2015-09-01

    Full Text Available Summary The chemical characterization of the pulp, peel and seeds of cocona (Solanum sessiliflorum Dunal was determined. In artisanal fruit processing, 26.3% of peel and 9.7% of seeds were obtained. The seeds showed a high potential for the development of value-added products because of their dry matter contents (23.46% as follows: carbohydrate (69.37% dry basis (d.b., nitrogen (3.18 g/100 g of seed d.b., K (0.023 g/100 g of seed d.b., Fe (0.0185 g/100 g of seed d.b. and dietary fiber (21.27 g/100 g of seed d.b.. The carbohydrate, dietary fibre and mineral contents of the pulp, peel and seeds also highlighted the agroindustrial potential of the fruit in that these constituents could be used to develop functional foods, food additives, preparations for functional diets and dietary supplements.

  8. Characterization of the chemical architecture of carbon-fiber microelectrodes. 1. Carboxylates.

    Science.gov (United States)

    Pantano, P; Kuhr, W G

    1991-07-15

    A new method to characterize the chemical architecture of a carbon-fiber microelectrode surface is described. Derivatization of carboxyl groups on the carbon surface with a poly(oxyalkalene)diamine (Jeffamine ED-600), followed by biotinylation of the free amine, allowed the attachment of a fluorescein isothiocyanate (FITC) conjugate of ExtrAvidin. The fluorescence observed after excitation at 488 nm was imaged with a fluorescence microscope equipped with a CCD camera, yielding a spatial map of the distribution of modified carboxyl groups on the surface of the carbon fiber with 0.5-micron resolution. Colloidal gold particles (15 nm diameter) coated with ExtrAvidin were used in place of the FITC-ExtrAvidin, and the carbon-fiber surface was imaged with scanning electron microscopy on a submicron scale. This selective information regarding surface-bound functional groups (i.e. carboxylates) has proven invaluable toward the rational design of novel sensors based on surface-modified ultramicroelectrodes.

  9. Synthesis and Characterization of Mass Produced High Quality Few Layered Graphene Sheets via a Chemical Method

    KAUST Repository

    Khenfouch, Mohammed

    2014-04-01

    Graphene is a two-dimensional crystal of carbon atoms arranged in a honeycomb lattice. It is a zero band gap semimetal with very unique physical and chemical properties which make it useful for many applications such as ultra-high-speed field-effect transistors, p-n junction diodes, terahertz oscillators, and low-noise electronic, NEMS and sensors. When the high quality mass production of this nanomaterial is still a big challenge, we developed a process which will be an important step to achieve this goal. Atomic Force Microscopy, Scanning Electron Microscopy, Scanning tunneling microscopy, High Resolution Transmission Electron Microscopy, X-Ray Diffraction, Raman spectroscopy, Energy Dispersive X-ray system were investigated to characterize and examine the quality of this product.

  10. Synthesis and Characterization of SnO2 Thin Films by Chemical Bath Deposition

    Science.gov (United States)

    Rifai, Aditia; Iqbal, Muhammad; Nugraha; Nuruddin, Ahmad; Suyatman; Yuliarto, Brian

    2011-12-01

    SnO2 thin films were deposited on glass substrate by chemical bath deposition (CBD) with stannous chloride (SnCl2..2H2O) as a precursor and urea (CO(NH2)2) as a buffer. X-Ray Diffraction (XRD) are used to characterize the structure of the films; the surface morphology of the films were observed by Scanning Electron Microscope (SEM). Using this techniques, we specify the effect of stannous chloride concentration and weight ratio of urea/H2O on the crystallinity and morphology of these films. The rutile structure corresponding (110), (101) and (211) planes of SnO2 is obtained. The increasing of stannous chloride concentration and the decreasing weight ratio of urea/H2O is found to improve the crystallinity of the film. The average diameter of grain size is about 96 nm.

  11. Review of sensors for the in situ chemical characterization of the Hanford underground storage tanks

    Energy Technology Data Exchange (ETDEWEB)

    Kyle, K.R.; Mayes, E.L.

    1994-07-29

    Lawrence Livermore National Laboratory (LLNL), in the Technical Task Plan (TTP) SF-2112-03 subtask 2, is responsible for the conceptual design of a Raman probe for inclusion in the in-tank cone penetrometer. As part of this task, LLNL is assigned the further responsibility of generating a report describing a review of sensor technologies other than Raman that can be incorporated in the in-tank cone penetrometer for the chemical analysis of the tank environment. These sensors would complement the capabilities of the Raman probe, and would give information on gaseous, liquid, and solid state species that are insensitive to Raman interrogation. This work is part of a joint effort involving several DOE laboratories for the design and development of in-tank cone penetrometer deployable systems for direct UST waste characterization at Westinghouse Hanford Company (WHC) under the auspices of the U.S. Department of Energy (DOE) Underground Storage Tank Integrated Demonstration (UST-ID).

  12. Physicochemical characterization of chitosan/nylon6/polyurethane foam chemically cross-linked ternary blends.

    Science.gov (United States)

    Jayakumar, S; Sudha, P N

    2013-03-15

    Chitosan/nylon6/polyurethane foam (CS/Ny6/PUF) ternary blend was prepared and chemically cross-linked with glutaraldehyde. Structural, thermal and morphological studies were performed for the prepared ternary blends. Characterizations of the ternary blends were investigated by Fourier transform infrared spectroscopy (FTIR), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electron microscope (SEM). The FTIR results showed that the strong intermolecular hydrogen bonds took place between CS, Ny6 and PUF. TGA and DSC studies reveal that the thermal stability of the blend is enhanced by glutaraldehyde as crosslinking agent. Results of XRD indicated that the relative crystalline of pure CS film was reduced when the polymeric network was reticulated by glutaraldehyde. Finally, the results of scanning electron microscopy (SEM) indicated that the morphology of the blend is rough and heterogeneous, further it confirms the interaction between the functional groups of the blend components.

  13. Novel chemical synthetic route and characterization of zinc selenide thin films

    Science.gov (United States)

    Hankare, P. P.; Chate, P. A.; Delekar, S. D.; Asabe, M. R.; Mulla, I. S.

    2006-11-01

    Zinc selenide (ZnSe) thin film have been deposited using chemical bath method on non-conducting glass substrate in a tartarate bath containing zinc sulfate, ammonia, hydrazine hydrate, sodium selenosulfate in an aqueous alkaline medium at 333 K. The deposition parameter of the ZnSe thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption, electrical measurements, atomic absorption spectroscopy (AAS). The ZnSe thin layers grown with polycrystalline zinc blende system along with some amorphous phase present in ZnSe film. The direct optical band gap ‘Eg’ for the film was found to be 2.81 eV and electrical conductivity in the order of 10-8(Ω cm)-1 with n-type conduction mechanism.

  14. Chemical Precipitation Synthesis of Ferric Chloride Doped Zinc Sulphide Nanoparticles and Their Characterization Studies

    CERN Document Server

    Theivasanthi, T; Alagar, M; 10.7598/cst2013.207

    2013-01-01

    Nanoparticles of Ferric Chloride doped ZnS has been synthesized by simple chemical precipitation method and characterized by XRD, SEM, UV-Vis analysis, Differential Thermal Analysis, Thermo Gravimetric Analysis and Differential Scanning Calorimetry. XRD patterns of the samples reveal particle size, specific surface area and the formation of cubic structure. The SEM images show that the cauliflower likes structure. Optical band gap values have been obtained from UV-Vis absorption spectra. It has also been found that energy band gap (Eg) increases with the increase in molar concentration of reactant solution. Thermal analysis measurement of the prepared sample shows that the thermal stability of pure ZnS is decreased due to increase in Ferric Chloride concentration. Undoped ZnS is more thermal stable when compared to FeCl3 doped ZnS.

  15. A novel chemical synthesis and characterization of Mn 3O 4 thin films for supercapacitor application

    Science.gov (United States)

    Dubal, D. P.; Dhawale, D. S.; Salunkhe, R. R.; Pawar, S. M.; Lokhande, C. D.

    2010-05-01

    Mn 3O 4 thin films have been prepared by novel chemical successive ionic layer adsorption and reaction (SILAR) method. Further these films were characterized for their structural, morphological and optical properties by means of X-ray diffraction (XRD), Fourier transform infrared spectrum (FTIR), field emission scanning electron microscopy (FESEM), wettability test and optical absorption studies. The XRD pattern showed that the Mn 3O 4 films exhibit tetragonal hausmannite structure. Formation of manganese oxide compound was confirmed from FTIR studies. The optical absorption showed existence of direct optical band gap of energy 2.30 eV. Mn 3O 4 film surface showed hydrophilic nature with water contact angle of 55°. The supercapacitive properties of Mn 3O 4 thin film investigated in 1 M Na 2SO 4 electrolyte showed maximum supercapacitance of 314 F g -1 at scan rate 5 mV s -1.

  16. Dual Raman-Brillouin Microscope for Chemical and Mechanical Characterization and Imaging.

    Science.gov (United States)

    Traverso, Andrew J; Thompson, Jonathan V; Steelman, Zachary A; Meng, Zhaokai; Scully, Marlan O; Yakovlev, Vladislav V

    2015-08-01

    We present a unique confocal microscope capable of measuring the Raman and Brillouin spectra simultaneously from a single spatial location. Raman and Brillouin scattering offer complementary information about a material's chemical and mechanical structure, respectively, and concurrent monitoring of both of these spectra would set a new standard for material characterization. We achieve this by applying recent innovations in Brillouin spectroscopy that reduce the necessary acquisition times to durations comparable to conventional Raman spectroscopy while attaining a high level of spectral accuracy. To demonstrate the potential of the system, we map the Raman and Brillouin spectra of a molded poly(ethylene glycol) diacrylate (PEGDA) hydrogel sample in cyclohexane to create two-dimensional images with high contrast at microscale resolutions. This powerful tool has the potential for very diverse analytical applications in basic science, industry, and medicine.

  17. Physicochemical characterization of chitosan/nylon6/polyurethane foam chemically cross-linked ternary blends

    Science.gov (United States)

    Jayakumar, S.; Sudha, P. N.

    2013-03-01

    Chitosan/nylon6/polyurethane foam (CS/Ny6/PUF) ternary blend was prepared and chemically cross-linked with glutaraldehyde. Structural, thermal and morphological studies were performed for the prepared ternary blends. Characterizations of the ternary blends were investigated by Fourier transform infrared spectroscopy (FTIR), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electron microscope (SEM). The FTIR results showed that the strong intermolecular hydrogen bonds took place between CS, Ny6 and PUF. TGA and DSC studies reveal that the thermal stability of the blend is enhanced by glutaraldehyde as crosslinking agent. Results of XRD indicated that the relative crystalline of pure CS film was reduced when the polymeric network was reticulated by glutaraldehyde. Finally, the results of scanning electron microscopy (SEM) indicated that the morphology of the blend is rough and heterogeneous, further it confirms the interaction between the functional groups of the blend components.

  18. Characterization and differentiation of chemical heterogeneity in humic substances by continuous intrinsic proton affinity distribution

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, H.X.; Dong, W.M.; Huang, M.E.; Tao, Z.Y.

    2002-07-01

    The chemical heterogeneity of proton binding on humic substances was studied via continuous intrinsic proton affinity distributions calculated using the condensation approximation from the master curves for two soil fulvic acids (FAs), one soil humic acid (HA) and one fulvic acid obtained from weathered coal. The master curves, i.e. plots of theta(T.H) (the overall protonation degree) versus Hs (the proton concentration in the diffuse double layer), were obtained from potentiometric titration curves at three ionic strengths. The value of Hs was calculated using an electrical double-layer model in which the humic substances were considered as rigid impermeable spheres. For all four samples, the proton affinity distributions were characterized by a few peaks with peak positions in the range 4-5.5. The similarities and differences between the samples studied were discussed.

  19. Physico-chemical and metabolomic characterization of KAMUT® Khorasan and durum wheat fermented dough.

    Science.gov (United States)

    Balestra, Federica; Laghi, Luca; Taneyo Saa, Danielle; Gianotti, Andrea; Rocculi, Pietro; Pinnavaia, GianGaetano

    2015-11-15

    Investigations were made in order to evaluate the influence of the flour type, chemical acidification and fermentation on characteristics of doughs obtained with durum wheat and KAMUT® Khorasan flour. Doughs were observed immediately after mixing, 90 and 360 min of leavening at 30 °C. Fundamental rheology, yeasts heat production by isothermal microcalorimetry and the interaction between water and biopolymers by means of time domain nuclear magnetic resonance were evaluated. In addition aromatic metabolite development was followed by means of the combined application of gas-chromatography and electronic nose. KAMUT® Khorasan flour was found to be more suitable than durum wheat for the fermentation processes tested, especially at acidic conditions, as shown by the increase of the volume and the metabolic heat production by yeast. In acidified dough the pattern of volatile metabolites allowed a clear distinction between the types of dough. Moreover the water/starch proton pool was characterized by higher T2 values in the KAMUT® Khorasan samples.

  20. Incorporating Detailed Chemical Characterization of Biomass Burning Emissions into Air Quality Models

    Science.gov (United States)

    Barsanti, K.; Hatch, L. E.; Yokelson, R. J.; Stockwell, C.; Orlando, J. J.; Emmons, L. K.; Knote, C. J.; Wiedinmyer, C.

    2015-12-01

    Approximately 500 Tg/yr of non-methane organic compounds (NMOCs) are emitted by biomass burning (BB) to the global atmosphere, leading to the photochemical production of ozone (O3) and secondary particulate matter (PM). Until recently, in studies of BB emissions, a significant mass fraction of NMOCs (up to 80%) remained uncharacterized or unidentified. Models used to simulate the air quality impacts of BB thus have relied on very limited chemical characterization of the emitted compounds. During the Fourth Fire Lab at Missoula Experiment (FLAME-IV), an unprecedented fraction of emitted NMOCs were identified and quantified through the application of advanced analytical techniques. Here we use FLAME-IV data to improve BB emissions speciation profiles for individual fuel types. From box model simulations we evaluate the sensitivity of predicted precursor and pollutant concentrations (e.g., formaldehyde, acetaldehyde, and terpene oxidation products) to differences in the emission speciation profiles, for a range of ambient conditions (e.g., high vs. low NOx). Appropriate representation of emitted NMOCs in models is critical for the accurate prediction of downwind air quality. Explicit simulation of hundreds of NMOCs is not feasible; therefore we also investigate the consequences of using existing assumptions and lumping schemes to map individual NMOCs to model surrogates and we consider alternative strategies. The updated BB emissions speciation profiles lead to markedly different surrogate compound distributions than the default speciation profiles, and box model results suggest that these differences are likely to affect predictions of PM and important gas-phase species in chemical transport models. This study highlights the potential for further BB emissions characterization studies, with concerted model development efforts, to improve the accuracy of BB predictions using necessarily simplified mechanisms.

  1. Effort to improve coupled in situ chemical oxidation with bioremediation: a review of optimization strategies

    NARCIS (Netherlands)

    Sutton, N.B.; Grotenhuis, J.T.C.; Langenhoff, A.A.M.; Rijnaarts, H.H.M.

    2011-01-01

    Purpose - In order to provide highly effective yet relatively inexpensive strategies for the remediation of recalcitrant organic contaminants, research has focused on in situ treatment technologies. Recent investigation has shown that coupling two common treatments-in situ chemical oxidation (ISCO)

  2. Non-conventional approaches to food processing in CELSS. I - Algal proteins: Characterization and process optimization

    Science.gov (United States)

    Nakhost, Z.; Karel, M.; Krukonis, V. J.

    1987-01-01

    Protein isolate obtained from green algae (Scenedesmus obliquus) cultivated under controlled conditions was characterized. Molecular weight determination of fractionated algal proteins using SDS-polyacrylamide gel electrophoresis revealed a wide spectrum of molecular weights ranging from 15,000 to 220,000. Isoelectric points of dissociated proteins were in the range of 3.95 to 6.20. Amino acid composition of protein isolate compared favorably with FAO standards. High content of essential amino acids leucine, valine, phenylalanine and lysine makes algal protein isolate a high quality component of CELSS diets. To optimize the removal of algal lipids and pigments supercritical carbon dioxide extraction (with and without ethanol as a co-solvent) was used. Addition of ethanol to supercritical CO2 resulted in more efficient removal of algal lipids and produced protein isolate with a good yield and protein recovery. The protein isolate extracted by the above mixture had an improved water solubility.

  3. Non-conventional approaches to food processing in CELSS, 1. Algal proteins: Characterization and process optimization

    Science.gov (United States)

    Nakhost, Z.; Karel, M.; Krukonis, V. J.

    1987-01-01

    Protein isolate obtained from green algae cultivated under controlled conditions was characterized. Molecular weight determination of fractionated algal proteins using SDS-polyacrylamide gel electrophoresis revealed a wide spectrum of molecular weights ranging from 15,000 to 220,000. Isoelectric points of dissociated proteins were in the range of 3.95 to 6.20. Amino acid composition of protein isolate compared favorably with FAO standards. High content of essential amino acids leucine, valine, phenylalanine and lysine make algal protein isolate a high quality component of closed ecological life support system diets. To optimize the removal of algal lipids and pigments supercritical carbon dioxide extraction (with and without ethanol as a co-solvent) was used. Addition of ethanol to supercritical carbon dioxide resulted in more efficient removal of algal lipids and produced protein isolate with a good yield and protein recovery. The protein isolate extracted by the above mixture had an improved water solubility.

  4. Characterizing and Optimizing Photocathode Laser Distributions for Ultra-low Emittance Electron Beam Operations

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, F. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Bohler, D. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Ding, Y. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Gilevich, S. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Huang, Z. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Loos, H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Ratner, D. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Vetter, S. [SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2015-12-07

    Photocathode RF gun has been widely used for generation of high-brightness electron beams for many different applications. We found that the drive laser distributions in such RF guns play important roles in minimizing the electron beam emittance. Characterizing the laser distributions with measurable parameters and optimizing beam emittance versus the laser distribution parameters in both spatial and temporal directions are highly desired for high-brightness electron beam operation. In this paper, we report systematic measurements and simulations of emittance dependence on the measurable parameters represented for spatial and temporal laser distributions at the photocathode RF gun systems of Linac Coherent Light Source. The tolerable parameter ranges for photocathode drive laser distributions in both directions are presented for ultra-low emittance beam operations.

  5. Optimization and validation of a taste dilution analysis to characterize wine taste.

    Science.gov (United States)

    Lopez, R; Mateo-Vivaracho, L; Cacho, J; Ferreira, V

    2007-08-01

    A procedure for the general taste dilution analysis (TDA) of wine has been optimized and applied to characterize the tastants of 5 different wines. Samples are concentrated first by vacuum distillation at 20 degrees C to obtain a dearomatized concentrate. Such concentrate is redissolved in water and injected in a semipreparative C18-high performance liquid chromatography (HPLC) column. The effluent is separated in fractions that are collected and concentrated by vacuum distillation. Sequential dilutions of the fractions are further evaluated by a sensory panel to assess the intensity of the basic tastes and in-mouth sensations. Fractions were also submitted to HPLC-mass spectrometry (MS) analysis to screen for known tastants of wines. The Taste Dilution chromatograms showed that taste differences between wines are mainly located in fractions 1, 2, and 6, and are mainly related to bitterness and astringency. Different aspects of the method setup and of its reliability are evaluated and discussed.

  6. Design and optimization of stepped austempered ductile iron using characterization techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hernández-Rivera, J.L., E-mail: jose.hernandez@cimav.edu.mx [Centro de Investigación en Materiales Avanzados-Laboratorio Nacional de Nanotecnología, Miguel de Cervantes 120, Z.C. 31109, Chihuahua (Mexico); Garay-Reyes, C.G.; Campos-Cambranis, R.E.; Cruz-Rivera, J.J. [Facultad de Ingeniería, Universidad Autónoma de San Luis Potosí, Sierra Leona 550, Lomas 2a. sección, Z.C. 78210, San Luis Potosí (Mexico)

    2013-09-15

    Conventional characterization techniques such as dilatometry, X-ray diffraction and metallography were used to select and optimize temperatures and times for conventional and stepped austempering. Austenitization and conventional austempering time was selected when the dilatometry graphs showed a constant expansion value. A special heat color-etching technique was applied to distinguish between the untransformed austenite and high carbon stabilized austenite which had formed during the treatments. Finally, it was found that carbide precipitation was absent during the stepped austempering in contrast to conventional austempering, on which carbide evidence was found. - Highlights: • Dilatometry helped to establish austenitization and austempering parameters. • Untransformed austenite was present even for longer processing times. • Ausferrite formed during stepped austempering caused important reinforcement effect. • Carbide precipitation was absent during stepped treatment.

  7. Growth and characterization of ZnO nanostructured thin films by a two step chemical method

    Science.gov (United States)

    Kumar, P. Suresh; Raj, A. Dhayal; Mangalaraj, D.; Nataraj, D.

    2008-12-01

    Zinc oxide (ZnO) nanostructured seed layer was grown by successive ionic layer adsorption and reaction (SILAR) method on glass substrate. The as-prepared nanostructured seed layer was characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM) for its structure and surface morphology. XRD results showed (0 0 2) oriented ZnO seed layer growth. Surface morphology study revealed the cluster of ZnO nanocrystals with hexagonal shape. ZnO nanorods (NRs) have been grown over the as-prepared ZnO nanostructured seed layer using a simple chemical bath deposition (CBD) method by immersing seed layer substrate in a chemical bath. It has been found that the morphology of the nanostructured seed layer is a key influencing factor for the growth of vertical ZnO NRs. In our growth method, we were successful in growing vertical NRs with diameter of about 70-150 nm with perfect hexagonal shape. Photoluminescence (PL) and Raman studies were carried out to analyse the crystal quality of our as-grown ZnO nanorods.

  8. Growth and characterization of ZnO nanostructured thin films by a two step chemical method

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, P. Suresh; Raj, A. Dhayal [Thin Film and Nanomaterials Research Laboratory, Department of Physics, Bharathiar University, Coimbatore 641046 (India); Mangalaraj, D. [Department of Nanoscience and Technology, Bharathiar University, Coimbatore 641046 (India)], E-mail: dmraj800@yahoo.com; Nataraj, D. [Thin Film and Nanomaterials Research Laboratory, Department of Physics, Bharathiar University, Coimbatore 641046 (India)

    2008-12-30

    Zinc oxide (ZnO) nanostructured seed layer was grown by successive ionic layer adsorption and reaction (SILAR) method on glass substrate. The as-prepared nanostructured seed layer was characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM) for its structure and surface morphology. XRD results showed (0 0 2) oriented ZnO seed layer growth. Surface morphology study revealed the cluster of ZnO nanocrystals with hexagonal shape. ZnO nanorods (NRs) have been grown over the as-prepared ZnO nanostructured seed layer using a simple chemical bath deposition (CBD) method by immersing seed layer substrate in a chemical bath. It has been found that the morphology of the nanostructured seed layer is a key influencing factor for the growth of vertical ZnO NRs. In our growth method, we were successful in growing vertical NRs with diameter of about 70-150 nm with perfect hexagonal shape. Photoluminescence (PL) and Raman studies were carried out to analyse the crystal quality of our as-grown ZnO nanorods.

  9. Optical Characterization of Chemically Etched Nanoporous Silicon Embedded in Sol-Gel Matrix

    Directory of Open Access Journals (Sweden)

    A. S. Al Dwayyan

    2012-01-01

    Full Text Available Nanoporous (NPs silicon fabricated by chemical etching process in HF acid was first separated in tetrahydrofuran (THF solvent and then incorporated into SiO2 matrix. The matrix was prepared by sol gel process in which dimethylformamide (DMF was used as drying chemical control additive (DCCA to form crack-free dried sample. We examined the optical properties of NPs in three medium which are solvent, sol, and dried sol gel. Our observations reveal that absorption spectra of NPs silicon in THF are modified with respect to the spectra in sol gel. Significant stability in PL of NPs silicon in the sol gel is observed. Influence of matrix environment on peaks of NPs is also discussed. Surface morphology is characterized by field emission scanning electron microscopy (FESEM which shows that the NPs silicon in THF is similar to the sol gel but becomes aggregation particle to particle. Presence of Si nanoparticles in THF and sol is confirmed by Transmission electron microscopy (TEM. The NPs silicons have mono dispersive and high crystalline nature with spherical shape of around 5 nm in sizes.

  10. Characterization of Si:O:C:H films fabricated using electron emission enhanced chemical vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Durrant, Steven F. [Laboratorio de Plasmas Tecnologicos, Campus Experimental de Sorocaba, Universidade Estadual Paulista-UNESP, Avenida Tres de Marco, 511, Alto da Boa Vista, 18087-180, Soracaba, SP (Brazil)], E-mail: steve@sorocaba.unesp.br; Rouxinol, Francisco P.M.; Gelamo, Rogerio V. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil); Trasferetti, B. Claudio [Present address: Superintendencia Regional da Policia Federal em Sao Paulo, Setor Tecnico-Cientifico, Rua Hugo d' Antola 95/10o Andar, Lapa de Baixo, 05038-090 Sao Paulo, SP (Brazil); Davanzo, C.U. [Instituto de Quimica, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil); Bica de Moraes, Mario A. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil)

    2008-01-15

    Silicon-based polymers and oxides may be formed when vapours of oxygen-containing organosilicone compounds are exposed to energetic electrons drawn from a hot filament by a bias potential applied to a second electrode in a controlled atmosphere in a vacuum chamber. As little deposition occurs in the absence of the bias potential, electron impact fragmentation is the key mechanism in film fabrication using electron-emission enhanced chemical vapour deposition (EEECVD). The feasibility of depositing amorphous hydrogenated carbon films also containing silicon from plasmas of tetramethylsilane or hexamethyldisiloxane has already been shown. In this work, we report the deposition of diverse films from plasmas of tetraethoxysilane (TEOS)-argon mixtures and the characterization of the materials obtained. The effects of changes in the substrate holder bias (V{sub S}) and of the proportion of TEOS in the mixture (X{sub T}) on the chemical structure of the films are examined by infrared-reflection absorption spectroscopy (IRRAS) at near-normal and oblique incidence using unpolarised and p-polarised, light, respectively. The latter is particularly useful in detecting vibrational modes not observed when using conventional near-normal incidence. Elemental analyses of the film were carried out by X-ray photoelectron spectroscopy (XPS), which was also useful in complementary structural investigations. In addition, the dependencies of the deposition rate on V{sub S} and X{sub T} are presented.

  11. Animal manure phosphorus characterization by sequential chemical fractionation, release kinetics and 31P-NMR analysis

    Directory of Open Access Journals (Sweden)

    Tales Tiecher

    2014-10-01

    Full Text Available Phosphate release kinetics from manures are of global interest because sustainable plant nutrition with phosphate will be a major concern in the future. Although information on the bioavailability and chemical composition of P present in manure used as fertilizer are important to understand its dynamics in the soil, such studies are still scarce. Therefore, P extraction was evaluated in this study by sequential chemical fractionation, desorption with anion-cation exchange resin and 31P nuclear magnetic resonance (31P-NMR spectroscopy to assess the P forms in three different dry manure types (i.e. poultry, cattle and swine manure. All three methods showed that the P forms in poultry, cattle and swine dry manures are mostly inorganic and highly bioavailable. The estimated P pools showed that organic and recalcitrant P forms were negligible and highly dependent on the Ca:P ratio in manures. The results obtained here showed that the extraction of P with these three different methods allows a better understanding and complete characterization of the P pools present in the manures.

  12. Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers.

    Science.gov (United States)

    Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A Umran; Ottaviani, Maria Francesca

    2016-04-05

    Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si-O-Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity.

  13. Physico-chemical characterization of banana varieties resistant to black leaf streak disease for industrial purposes

    Directory of Open Access Journals (Sweden)

    Rossana Catie Bueno de Godoy

    2016-01-01

    Full Text Available ABSTRACT: Cultivated bananas have very low genetic diversity making them vulnerable to diseases such as black-Sigatoka leaf spot. However, the decision to adopt a new banana variety needs to be based on a robust evaluation of agronomical and physical-chemical characteristics. Here, we characterize new banana varieties resistant to black-Sigatoka leaf spot and compare them to the most widely used traditional variety (Grand Naine. Each variety was evaluated for a range of physic-chemical attributes associated with industrial processing and flavor: pH, TTA, TSS/TTA, total sugars, reducing sugars and non-reducing sugars, humidity, total solids and yield. The Thap Maeo variety had the highest potential as a substitute for the Grand Naine variety, having higher levels of total soluble solids, reducing sugars, total sugars and humidity. The Caipira and FHIA 2 varieties also performed well in comparison with the Grand Naine variety. Cluster analysis indicated that the Grand Naine variety was closely associated with varieties from the Gross Michel subgroup (Bucaneiro, Ambrosia and Calipso and the Caipira variety, all of which come from the same AAA genomic group. It was concluded that several of the new resistant varieties could potentially substitute the traditional variety in areas affected by black-Sigatoka leaf spot disease.

  14. Chemical and physical characterization of collapsing low-mass prestellar dense cores

    CERN Document Server

    Hincelin, U; Wakelam, V; Hersant, F; Guilloteau, S; Herbst, E

    2016-01-01

    The first hydrostatic core, also called the first Larson core, is one of the first steps in low-mass star formation, as predicted by theory. With recent and future high performance telescopes, details of these first phases become accessible, and observations may confirm theory and even bring new challenges for theoreticians. In this context, we study from a theoretical point of view the chemical and physical evolution of the collapse of prestellar cores until the formation of the first Larson core, in order to better characterize this early phase in the star formation process. We couple a state-of-the-art hydrodynamical model with full gas-grain chemistry, using different assumptions on the magnetic field strength and orientation. We extract the different components of each collapsing core (i.e., the central core, the outflow, the disk, the pseudodisk, and the envelope) to highlight their specific physical and chemical characteristics. Each component often presents a specific physical history, as well as a sp...

  15. Synthesis and characterization studies of MgO:CuO nanocrystals by wet-chemical method

    Science.gov (United States)

    Kaviyarasu, K.; Maria Magdalane, C.; Anand, K.; Manikandan, E.; Maaza, M.

    2015-05-01

    In this report, we examine the progress in adapting these nanomaterials for several predominantly photonics device fabrication by wet-chemical method. Nanocomposite of magnesium oxide (MgO) with copper oxide (CuO) doped nanoparticles were characterized by X-ray powder diffraction (XRD) and the observed peaks are quite agreeable with the pure phase cubic structure. High-resolution transmission electron microscopic (HR-TEM) results reveal that the resultant nanopowders are porous and agglomerated with polycrystalline nano-entities. Field emission of selected-area electron diffraction (SAED) studies showed that the average size of the nanoparticles were 20 nm. Photoluminescence spectra of MgO:CuO were investigated, showing emission peaks around 375 nm relating to new energy levels induced by defects or defect levels generation and confocal micro-Raman images indicated that the chemical molecular vibrational band structure and morphology of the product which is spherical shaped nanoparticles with an average particle size of ∼25 nm with standard deviation. The electrochemical response of MgO:CuO which is proves that the nano-copper/magnesium has high functionality due to the small size and it has higher electrochemical activity without any modifications.

  16. Synthesis and characterization of silver/talc nanocomposites using the wet chemical reduction method.

    Science.gov (United States)

    Shameli, Kamyar; Ahmad, Mansor Bin; Yunus, Wan Zin Wan; Ibrahim, Nor Azowa; Darroudi, Majid

    2010-10-05

    In this study, silver nanoparticles (Ag-NPs) were synthesized using the wet chemical reduction method on the external surface layer of talc mineral as a solid support. Silver nitrate and sodium borohydride were used as the silver precursor and reducing agent in talc. The talc was suspended in aqueous AgNO(3) solution. After the absorption of Ag(+) on the surface, the ions were reduced with NaBH(4). The interlamellar space limits were without many changes (d(s) = 9.34-9.19 A(º)); therefore, Ag-NPs formed on the exterior surface of talc, with d(ave) = 7.60-13.11 nm in diameter. The properties of Ag/talc nanocomposites (Ag/talc-NCs) and the diameters of the Ag-NPs prepared in this way depended on the primary AgNO(3) concentration. The prepared Ag-NPs were characterized by ultraviolet-visible spectroscopy, powder X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and Fourier transform infrared. These Ag/talc-NCs may have potential applications in the chemical and biological industries.

  17. Synthesis and characterization of silver/talc nanocomposites using the wet chemical reduction method

    Directory of Open Access Journals (Sweden)

    Kamyar Shameli

    2010-09-01

    Full Text Available Kamyar Shameli1, Mansor Bin Ahmad1, Wan Zin Wan Yunus1, Nor Azowa Ibrahim1, Majid Darroudi21Department of Chemistry, Faculty of Science, 2Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology, Universiti Putra Malaysia, Selangor, MalaysiaAbstract: In this study, silver nanoparticles (Ag-NPs were synthesized using the wet chemical reduction method on the external surface layer of talc mineral as a solid support. Silver nitrate and sodium borohydride were used as the silver precursor and reducing agent in talc. The talc was suspended in aqueous AgNO3 solution. After the absorption of Ag+ on the surface, the ions were reduced with NaBH4. The interlamellar space limits were without many changes (ds = 9.34–9.19 Aº; therefore, Ag-NPs formed on the exterior surface of talc, with dave = 7.60–13.11 nm in diameter. The properties of Ag/talc nanocomposites (Ag/talc-NCs and the diameters of the Ag-NPs prepared in this way depended on the primary AgNO3 concentration. The prepared Ag-NPs were characterized by ultraviolet-visible spectroscopy, powder X-ray diffraction, transmission electron microscopy, scanning electron microscopy, and Fourier transform infrared. These Ag/talc-NCs may have potential applications in the chemical and biological industries.Keywords: nanocomposites, silver nanoparticles, talc, powder X-ray diffraction, scanning electron microscopy

  18. Chemical, physical, structural and morphological characterization of the electric arc furnace dust.

    Science.gov (United States)

    Machado, Janaína G M S; Brehm, Feliciane Andrade; Moraes, Carlos Alberto Mendes; Santos, Carlos Alberto Dos; Vilela, Antônio Cezar Faria; Cunha, João Batista Marimon da

    2006-08-25

    Electric arc furnace dust (EAFD) is a hazardous industrial waste generated in the collection of particulate material during steelmaking process via electric arc furnace. Important elements to the industry such as, Fe and Zn are the main ones in EAFD. Due to their presence, it becomes very important to know how these elements are combined before studying new technologies for its processing. The aim of this work was to carry out a chemical, physical, structural and morphological characterization of the EAFD. The investigation was carried out by using granulometry analysis, chemical analysis, scanning electron microscopy (SEM), energy dispersive spectroscopy via SEM (EDS), X-ray mapping analysis via SEM, X-ray diffraction (XRD) and Mössbauer spectroscopy. By XRD the following phases were detected: ZnFe(2)O(4), Fe(3)O(4), MgFe(2)O(4), FeCr(2)O (4), Ca(0.15)Fe(2.85)O(4), MgO, Mn(3)O(4), SiO(2) and ZnO. On the other hand, the phases detected by Mössbauer spectroscopy were: ZnFe(2)O(4), Fe(3)O(4), Ca(0.15)Fe(2.85)O(4) and FeCr(2)O(4). Magnesium ferrite (MgFe(2)O(4)), observed in the XRD pattern as overlapped peaks, was not identified in the Mössbauer spectroscopy analysis.

  19. Chemical characterization of high molecular weight dissolved organic matter in fresh and marine waters

    Science.gov (United States)

    Repeta, Daniel J.; Quan, Tracy M.; Aluwihare, Lihini I.; Accardi, AmyMarie

    2002-03-01

    The high molecular weight fraction of dissolved organic matter in a suite of lakes, rivers, seawater, and marine sediment interstitial water samples was collected by ultrafiltration and characterized by molecular level and spectroscopic techniques. Proton nuclear magnetic resonance spectra of all samples show a high degree of similarity, with major contributions from carbohydrates, bound acetate, and lipids. Molecular level analyses of neutral sugars show seven monosaccharides, rhamnose, fucose, arabinose, xylose, mannose, glucose, and galactose, to be abundant, and to occur in comparable relative amounts in each sample. Previous studies have emphasized the distinctive composition of dissolved humic substances in fresh and marine waters, and have attributed these differences to sources and transformations of organic matter unique to each environment. In contrast we find a large fraction of freshwater high molecular weight dissolved organic matter (HMWDOM; > 1kD) to be indistinguishable from marine HMWDOM in bulk and molecular-level chemical properties. Aquatic HMWDOM is similar in chemical composition to biologically derived acylated heteropolysaccharides isolated from marine algal cultures, suggesting a biological source for some fraction of persistent HMWDOM. High molecular weight DOC contributes 51 ± 26% of the total DOC, and monosaccharides 18 ± 8% of the total HMWDOC in our freshwater samples. These contributions are on average higher and more variable, but not significantly different than for surface seawater (30% and 16% respectively). Biogeochemical processes that produce, accumulate, and recycle DOM may therefore share important similarities and be broadly comparable across a range of environmental settings.

  20. Characterization of Caenorhabditis elegans behavior in response to chemical stress by using hidden Markov model

    Science.gov (United States)

    Choi, Yeontaek; Sim, Seungwoo; Lee, Sang-Hee

    2014-06-01

    The locomotion behavior of Caenorhabditis elegans has been extensively studied to understand the relationship between the changes in the organism's neural activity and the biomechanics. However, so far, we have not yet achieved the understanding. This is because the worm complicatedly responds to the environmental factors, especially chemical stress. Constructing a mathematical model is helpful for the understanding the locomotion behavior in various surrounding conditions. In the present study, we built three hidden Markov models for the crawling behavior of C. elegans in a controlled environment with no chemical treatment and in a polluted environment by formaldehyde, toluene, and benzene (0.1 ppm and 0.5 ppm for each case). The organism's crawling activity was recorded using a digital camcorder for 20 min at a rate of 24 frames per second. All shape patterns were quantified by branch length similarity entropy and classified into five groups by using the self-organizing map. To evaluate and establish the hidden Markov models, we compared correlation coefficients between the simulated behavior (i.e. temporal pattern sequence) generated by the models and the actual crawling behavior. The comparison showed that the hidden Markov models are successful to characterize the crawling behavior. In addition, we briefly discussed the possibility of using the models together with the entropy to develop bio-monitoring systems for determining water quality.

  1. Characterization of Olive Oil by Ultrasonic and Physico-chemical Methods

    Science.gov (United States)

    Alouache, B.; Khechena, F. K.; Lecheb, F.; Boutkedjirt, T.

    Olive oil excels by its nutritional and medicinal benefits. It can be consumed without any treatment. However, its quality can be altered by inadequate storage conditions or if it is mixed with other kinds of oils. The objective of this work is to demonstrate the ability of ultrasonic methods to characterize and control olive oil quality. By using of a transducer of 2.25 MHz nominal frequency, in pulse echo mode, ultrasonic parameters, such as propagation velocity and attenuation,have been measured for pure olive oil and for its mixtures with sunflower oil at different proportions. Mechanical properties, such as density and viscosity, have also been determined. The results of ultrasonic measurements are consistent with those obtained by physico-chemical methods, such as rancidity degree, acid index, UV specific extinction coefficient and viscosity. They show that the ultrasonic method allows to distinguish between mixtures at different proportions. The study allows concluding that ultrasound techniques can be considered as a useful complement to existing physico-chemical analysis techniques.

  2. Design and characterization of chemical space networks for different compound data sets.

    Science.gov (United States)

    Zwierzyna, Magdalena; Vogt, Martin; Maggiora, Gerald M; Bajorath, Jürgen

    2015-02-01

    Chemical Space Networks (CSNs) are generated for different compound data sets on the basis of pairwise similarity relationships. Such networks are thought to complement and further extend traditional coordinate-based views of chemical space. Our proof-of-concept study focuses on CSNs based upon fingerprint similarity relationships calculated using the conventional Tanimoto similarity metric. The resulting CSNs are characterized with statistical measures from network science and compared in different ways. We show that the homophily principle, which is widely considered in the context of social networks, is a major determinant of the topology of CSNs of bioactive compounds, designed as threshold networks, typically giving rise to community structures. Many properties of CSNs are influenced by numerical features of the conventional Tanimoto similarity metric and largely dominated by the edge density of the networks, which depends on chosen similarity threshold values. However, properties of different CSNs with constant edge density can be directly compared, revealing systematic differences between CSNs generated from randomly collected or bioactive compounds.

  3. Chemical characterization and immunomodulatory properties of polysaccharides isolated from probiotic Lactobacillus casei LOCK 0919

    Science.gov (United States)

    Górska, Sabina; Hermanova, Petra; Ciekot, Jarosław; Schwarzer, Martin; Srutkova, Dagmar; Brzozowska, Ewa; Kozakova, Hana; Gamian, Andrzej

    2016-01-01

    The Lactobacillus casei strain, LOCK 0919, is intended for the dietary management of food allergies and atopic dermatitis (LATOPIC® BIOMED). The use of a probiotic to modulate immune responses is an interesting strategy for solving imbalance problems of gut microflora that may lead to various disorders. However, the exact bacterial signaling mechanisms underlying such modulations are still far from being understood. Here, we investigated variations in the chemical compositions and immunomodulatory properties of the polysaccharides (PS), L919/A and L919/B, which are produced by L. casei LOCK 0919. By virtue of their chemical features, such PS can modulate the immune responses to third-party antigens. Our results revealed that L919/A and L919/B could both modulate the immune response to Lactobacillus planatarum WCFS1, but only L919/B could alter the response of THP-1 cells (in terms of tumor necrosis factor alpha production) to L. planatarum WCFS1 and Escherichia coli Nissle 1917. The comprehensive immunochemical characterization is crucial for the understanding of the biological function as well as of the bacteria–host and bacteria–bacteria cross-talk. PMID:27102285

  4. Microstructural characterization and chemical compatibility of pulsed laser deposited yttria coatings on high density graphite

    Energy Technology Data Exchange (ETDEWEB)

    Sure, Jagadeesh [Corrosion Science and Technology Group, Indira Gandhi Centre for Atomic Research, Kalpakkam — 603 102 (India); Mishra, Maneesha [Physical Metallurgy Group, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102 (India); Tarini, M. [SRM University, Kattankulathur-603 203 (India); Shankar, A. Ravi; Krishna, Nanda Gopala [Corrosion Science and Technology Group, Indira Gandhi Centre for Atomic Research, Kalpakkam — 603 102 (India); Kuppusami, P. [Physical Metallurgy Group, Indira Gandhi Centre for Atomic Research, Kalpakkam-603 102 (India); Mallika, C. [Corrosion Science and Technology Group, Indira Gandhi Centre for Atomic Research, Kalpakkam — 603 102 (India); Mudali, U. Kamachi, E-mail: kamachi@igcar.gov.in [Corrosion Science and Technology Group, Indira Gandhi Centre for Atomic Research, Kalpakkam — 603 102 (India)

    2013-10-01

    Yttria coatings were deposited on high density (HD) graphite substrate by pulsed laser deposition method and subsequently annealing in vacuum at 1373 K was carried out to evaluate the thermal stability of the coatings. Yttria deposited on HD graphite samples were exposed to molten LiCl–KCl salt at 873 K for 3 h to evaluate the corrosion behavior of the coating for the purpose of pyrochemical reprocessing applications. The microstructure and the corrosion behavior of the yttria coating deposited on HD graphite in molten LiCl–KCl salt were evaluated by several characterization techniques. X-ray diffraction and Laser Raman patterns confirmed the presence of cubic phase of yttria in the coating. The surface morphology of yttria coating on HD graphite examined by scanning electron microscope and atomic force microscopy revealed the agglomeration of oxide particles and formation of clusters. After annealing at 1373 K, no appreciable grain growth of yttria particles could be observed. X-ray photoelectron spectroscopy analysis was carried out for elemental analysis before and after chemical compatibility test of the coated samples in molten LiCl–KCl salt to identify the corrosive elements present on the yttria coatings. The chemical compatibility and thermal stability of the yttria coating on HD graphite in molten LiCl–KCl salt medium have been established. - Highlights: • Y{sub 2}O{sub 3} coating was deposited on graphite by pulsed laser deposition method. • Chemical compatibility of Y{sub 2}O{sub 3} coating in LiCl–KCl salt at 873 K was studied. • Gibbs free energy change was positive for Y{sub 2}O{sub 3} reaction with Cl{sub 2}, U and UCl{sub 3}. • Y{sub 2}O{sub 3} coating exhibited better corrosion performance in molten LiCl–KCl salt.

  5. Cassava Peels for Alternative Fibre in Pulp and Paper Industry: Chemical Properties and Morphology Characterization

    Directory of Open Access Journals (Sweden)

    Ashuvila Mohd Aripin

    2013-11-01

    Full Text Available Without a proper waste management, the organic wastes such as cassava peels could result in increased amount of solid waste dump into landfill. This study aims to use non-wood organic wastes as pulp for paper making industries; promoting the concept of ‘from waste to wealth and recyclable material’. The objective  of this study is to determine the potential of casssava peel as alternative fibre in pulp and paper based on its chemical properties and surface morphology characteristic. Quantified parameters involved are holocellulose, cellulose, hemicellulose, lignin, one percent of sodium hydroxide, hot water solubility and ash content. The chemical characterization was in accordance with relevant TAPPI Test, Kurscher-Hoffner and Chlorite methods. Scanning electron microscopy (SEM was used to observe and determine the morphological characteristic of untreated cassava peels fibre. In order to propose the suitability of the studied plant as an alternative fibre resource in pulp and paper making, the obtained results are compared to other published literatures especially from wood sources. Results indicated that the amount of holocellulose contents in cassava peels (66% is the lowest than of wood (70 - 80.5% and canola straw (77.5%; however this value is still within the limit suitability to produce paper. The lignin content (7.52% is the lowest than those of all wood species (19.9-26.22%. Finally, the SEM images showed that untreated cassava peel contains abundance fibre such as hemicellulose and cellulose that is hold by the lignin in it. In conclusion, chemical properties and morphological characteristics of cassava peel indicated that it is suitable to be used as an alternative fibre sources for pulp and paper making industry, especially in countries with limited wood resources

  6. Analysis and Optimization of Bulk DNA Sampling with Binary Scoring for Germplasm Characterization

    Science.gov (United States)

    Reyes-Valdés, M. Humberto; Santacruz-Varela, Amalio; Martínez, Octavio; Simpson, June; Hayano-Kanashiro, Corina; Cortés-Romero, Celso

    2013-01-01

    The strategy of bulk DNA sampling has been a valuable method for studying large numbers of individuals through genetic markers. The application of this strategy for discrimination among germplasm sources was analyzed through information theory, considering the case of polymorphic alleles scored binarily for their presence or absence in DNA pools. We defined the informativeness of a set of marker loci in bulks as the mutual information between genotype and population identity, composed by two terms: diversity and noise. The first term is the entropy of bulk genotypes, whereas the noise term is measured through the conditional entropy of bulk genotypes given germplasm sources. Thus, optimizing marker information implies increasing diversity and reducing noise. Simple formulas were devised to estimate marker information per allele from a set of estimated allele frequencies across populations. As an example, they allowed optimization of bulk size for SSR genotyping in maize, from allele frequencies estimated in a sample of 56 maize populations. It was found that a sample of 30 plants from a random mating population is adequate for maize germplasm SSR characterization. We analyzed the use of divided bulks to overcome the allele dilution problem in DNA pools, and concluded that samples of 30 plants divided into three bulks of 10 plants are efficient to characterize maize germplasm sources through SSR with a good control of the dilution problem. We estimated the informativeness of 30 SSR loci from the estimated allele frequencies in maize populations, and found a wide variation of marker informativeness, which positively correlated with the number of alleles per locus. PMID:24260321

  7. Analysis and optimization of bulk DNA sampling with binary scoring for germplasm characterization.

    Directory of Open Access Journals (Sweden)

    M Humberto Reyes-Valdés

    Full Text Available The strategy of bulk DNA sampling has been a valuable method for studying large numbers of individuals through genetic markers. The application of this strategy for discrimination among germplasm sources was analyzed through information theory, considering the case of polymorphic alleles scored binarily for their presence or absence in DNA pools. We defined the informativeness of a set of marker loci in bulks as the mutual information between genotype and population identity, composed by two terms: diversity and noise. The first term is the entropy of bulk genotypes, whereas the noise term is measured through the conditional entropy of bulk genotypes given germplasm sources. Thus, optimizing marker information implies increasing diversity and reducing noise. Simple formulas were devised to estimate marker information per allele from a set of estimated allele frequencies across populations. As an example, they allowed optimization of bulk size for SSR genotyping in maize, from allele frequencies estimated in a sample of 56 maize populations. It was found that a sample of 30 plants from a random mating population is adequate for maize germplasm SSR characterization. We analyzed the use of divided bulks to overcome the allele dilution problem in DNA pools, and concluded that samples of 30 plants divided into three bulks of 10 plants are efficient to characterize maize germplasm sources through SSR with a good control of the dilution problem. We estimated the informativeness of 30 SSR loci from the estimated allele frequencies in maize populations, and found a wide variation of marker informativeness, which positively correlated with the number of alleles per locus.

  8. Optimization of the recycle used oil and its fuel quality characterization

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    Eyitayo A. AFOLABI

    2016-06-01

    Full Text Available The optimization of recycling of used engine oil with clay sample has been studied using Response Surface Methodology. Acid concentration, activation temperature and time were the independent variables considered in optimizing the recycling of used oil and six responses evaluated. The surface characterization of the clay samples was performed using the Fourier Transform Infrared (FTIR spectra and Brunauer Emmett Teller (BET analyses. The relationship between independent variables and response was described by a second order polynomial equation. Statistical testing of the model was performed with F-test to obtain the correlation between the experimental data and predicted results for all responses. The adequacy of the model equations were evaluated by the Adjusted and Predicted R2 coefficients observed to be close to each other for all the six responses. Data obtained from recycling used oil using clay sample showed the optimum condition as; activation temperature of 106.80oC, acid concentration of 3M and activation time of 180 minutes. A yield of 66.28% was obtained at optimum condition and characterized fuel qualities found close to fresh oil used as standard in this work. The surface area and adsorption capacity of raw clay and activated clay samples was observed to have increase from 19.8m2/g to 437.83m2/g and 1.41 mg/g to 8.64 mg/g respectively. This difference adequately described the improvement of the adsorption phenomena of the activated clay over raw clay samples.

  9. A pareto-optimal characterization of miniaturized distributed occulter/telescope systems

    Science.gov (United States)

    Koenig, Adam W.; D'Amico, Simone; Macintosh, Bruce; Titus, Charles J.

    2015-09-01

    Distributed occulter/telescope systems hold great promise in the field of direct exoplanet imaging. However, proposed missions using this concept such as the New Worlds Observer or Exo-S (NASA) are exceptionally large with occulter diameters of tens of meters and inter-spacecraft separations of tens of megameters, requiring deployment in deep space. The estimated costs associated with these missions are in the billions of dollars. In order to reduce the risk associated with these missions, it is desirable to first deploy a low-cost technology demonstrator mission to prove that the distributed occulter telescope concept is valid. To that end, this work assesses the feasibility of miniaturizing the optics of the distributed occulter/telescope to enable deployment on micro- or nano-satellites in earth orbit. A variant of the convex optimization formulation introduced by previous authors is used to generate a pareto-optimal characterization between the achievable occulter contrast and a set of critical design variables (occulter radius, inner working angle, science spectrum, etc). This characterization is performed for two different sets of engineering constraints, corresponding to different levels of design complexity. The results of this study are compared to the performance requirements for imaging targets of scientific interest, namely exozodiacal dust disks, in order to identify promising design envelopes. The result of this work is a comprehensive trade of the capabilities of miniaturized, binary, petal-shaped occulters. This research demonstrates that there exist miniaturized occulter geometries compatible with micro- or nano-satellites in earth orbit suitable for imaging exozodiacal dust disks. In addition, this study provides a valuable methodology and performance guidelines for future distributed occulter/telescope designs.

  10. Isolation, characterization and optimization of indigenous acetic acid bacteria and evaluation of their preservation methods

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    K Beheshti-Maal

    2010-06-01

    Full Text Available Background and Objectives: Acetic acid bacteria (AAB are useful in industrial production of vinegar. The present study aims at isolation and identification of acetic acid bacteria with characterization, optimization, and evaluation of their acetic acid productivity."nMaterials and Methods: Samples from various fruits were screened for presence of acetic acid bacteria on glucose, yeast extract, calcium carbonate (GYC medium. Carr medium supplemented with bromocresol green was used for distinguishing Acetobacter from Gluconobacter. The isolates were cultured in basal medium to find the highest acetic acid producer. Biochemical tests followed by 16S rRNA and restriction analyses were employed for identification of the isolate and phylogenic tree was constructed. Bacterial growth and acid production conditions were optimized based on optimal inoculum size, pH, temperature, agitation, aeration and medium composition."nResults: Thirty-seven acetic acid bacteria from acetobacter and gluconobacter members were isolated. Acetic acid productivity yielded 4 isolates that produced higher amounts of acid. The highest producer of acid (10.03% was selected for identification. The sequencing and restriction analyses of 16S rRNA revealed a divergent strain of Acetobacter pasteurianus (Gene bank accession number # GU059865. The optimum condition for acid production was a medium composed of 2% glucose, 2% yeast extract, 3% ethanol and 3% acid acetic at inoculum size of 4% at 3L/Min aeration level in the production medium. The isolate was best preserved in GYC medium at 12oC for more than a month. Longer preservation was possible at -70oC."nConclusion: The results are suggestive of isolation of an indigenous acetic acid bacteria. Pilot plan is suggested to study applicability of the isolated strain in acetic acid production.

  11. OPTIMIZATION AND CHARACTERIZATION OF POLYSULFONE MEMBRANES MADE OF ZINC OXIDE, POLYETHYLENE GLYCOL AND EUGENOL AS ADDITIVES

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    MUHAMAD ZAINI YUNOS

    2016-07-01

    Full Text Available The aim of this study to investigate the effect of zinc oxide, polyethylene glycol (PEG and eugenol on the properties of membranes made of polysulfone (PSf. Polysulfone membranes were prepared via phase inversion method using Nmethyl-2-pyrolidone (NMP as a solvent and water as non-solvent. The membranes were characterized by scanning electron microscopy (SEM, X-ray diffraction (XRD, atomic force microscopy (AFM, porosity, tensile strength, permeability, rejection and antibacterial test. The results were designed and optimized through a statistical approach using response surface methodology (RSM. The results showed that the use of zinc oxide and eugenol could improve membrane rejection and anti-bacterial property. The membrane permeability was found to increase with addition of PEG. The optimized dope formulation for maximum membrane permeability and rejection was found at 13.14 wt.% PEG 5 wt.% zinc oxide and 0.17 wt.% eugenol. The permeability and rejection obtained for actual value is 866 L m-2h-1 and 91.0% respectively, which 1 and 2% difference compared to the predicted value.

  12. Optimization and partial characterization of bacteriocin produced by Lactobacillus bulgaricus -TLBFT06 isolated from Dahi.

    Science.gov (United States)

    Mahmood, Talat; Masud, Tariq; Ali, Sartaj; Abbasi, Kashif Sarfraz; Liaquat, Muhammad

    2015-03-01

    Lactobacillus bulgaricus is one of the predominant lactic acid bacteria of dahi, conferring technological and functional attributes. In the present study thirty dahi samples were investigated for bacteriocin producing L. bulgaricus. Fourteen different isolates were obtained and five were scrutinized for antibacterial activities against food born pathogens. Amongst, a strain TLB06FT was found to have a wide array of antibacterial activities against Gram positive and negative bacteria was selected for further characterization. Growth media optimization for this strain revealed maximum bacteriocin production on MRS media supplemented with glucose (2%), sodium chloride (1%), Tween-80 (0.5%) and yeast extract (1 %). In addition, optimization of growth conditions revealed maximum bacteriocin production at pH 5.5 and temperature of 30-37°C. Bacteriocin showed thermo stability at 90°C and remained highly active in the pH range of 3.5-7.5, inactive by protein catalyzing enzymes and showed no change in activity (800AumL(-1)) when treated with organic solvents and surfactants. The obtained bacteriocin was purified to 1600AU mL(-1) by ammonium sulfate precipitation (80%) by using dialyzing tubing. In the same way, a single peak was obtained by RP-HPLC having antibacterial activity of 6400AU mL(-1). Thus, wild strains of L. bulgaricus have great potential for the production new and novel type of bacteriocins.

  13. Optimization Extraction, Preliminary Characterization and Antioxidant Activities of Polysaccharides from Semen Juglandis

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    Xueyong Ren

    2016-10-01

    Full Text Available The optimization extraction process, preliminary characterization and antioxidant activities of polysaccharides from Semen Juglandis (SJP were studied in this paper. Based on the Box-Behnken experimental design and response surface methodology, the optimal extraction conditions for the SJP extraction were obtained as follows: temperature 88 °C, extraction time 125 min and ratio of liquid to solid 31 mL/g. Under these conditions, experimental extraction yield of SJP was (5.73 ± 0.014% (n = 5, similar to the predicted value of 5.78%. Furtherly, the purified SJP obtained from SJP extract by DEAE-52 and Sephacryl S-100 chromatography was analyzed to be rhamnose, galacturonic acid, galactose, arabinose and fucose in the molar ratio of 1:6.34:1.38:3.21:1.56. And the weight-average molecular weight and radius of gyration of the purified SJP in 0.1 M NaCl were determined to be 2.76 × 104 g/mol and 122 nm by SEC-MALLS, respectively. More importantly, it exhibited appreciable antioxidant activities compared to the standard Vc, such as DPPH radical scavenging activity (IC50 0.21 mg/mL, strong reducing power, ABTS radical scavenging activity (IC50 0.29 mg/mL, and hydroxyl radical scavenging activity (IC50 0.38 mg/mL. These results indicate that SJP may be useful for developing functional health products or natural antioxidant.

  14. OPTIMIZATION, ISOLATION AND PARTIAL CHARACTERIZATION OF PROTEASES FROM UNDERUTILIZED AND COMMON FOOD LEGUMES

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    Anupama V.

    2013-07-01

    Full Text Available The present study aims at the isolation and partial characterization of proteases from six legume seeds, horse gram, jack bean, lima bean and velvet bean (white and black seeds. The extraction of these seeds was optimized using response surface methodology. The best buffer for extraction was seen to be 10 mM Tris HCl at pH 8 with 25 mg/ml-45 mg/ml protein release. The ideal extraction parameters exhibiting highest protease release (91.9112 U were pH 4.86, 10-15˙C with 70 hours incubation time. The optimized extracts were subjected to (NH42SO4 precipitation to obtain crude enzyme solution. The proteolytic activity of the precipitated enzyme was again checked. The effect of pH and temperature of protease activity in the crude enzyme solution were also determined. The pH profile of proteases showed proteolytic activity at pH 7.5 to 9.0. The paper concludes that leguminous seeds can be source of proteases for industrial purposes.

  15. Extraction optimization, characterization and antioxidant activity in vitro of polysaccharides from mulberry (Morus alba L.) leaves.

    Science.gov (United States)

    Yuan, Qingxia; Xie, Yufeng; Wang, Wei; Yan, Yuhua; Ye, Hong; Jabbar, Saqib; Zeng, Xiaoxiong

    2015-09-05

    Extraction optimization, characterization and antioxidant activity in vitro of polysaccharides from mulberry leaves (MLP) were investigated in the present study. The optimal extraction conditions with an extraction yield of 10.0 ± 0.5% for MLP were determined as follows: extraction temperature 92 °C, extraction time 3.5h and ratio (v/w, mL/g) of extraction solvent (water) to raw material 34. Two purified fractions, MLP-3a and MLP-3b with molecular weights of 80.99 and 3.64 kDa, respectively, were obtained from crude MLP by chromatography of DEAE-Cellulose 52 and Sephadex G-100. Fourier transform-infrared spectroscopy revealed that crude MLP, MLP-3a and MLP-3b were acidic polysaccharides. Furthermore, crude MLP and MLP-3a had more complicated monosaccharide compositions, while MLP-3b had a relatively higher content of uronic acid. Crude MLP, MLP-3a and MLP-3b exhibited potent Fe(2+) chelating power and scavenging activities on 1,1-diphenyl-2-picrylhydrazyl, hydroxyl, superoxide and 2,2'-azinobis-(3-ethyl-benzothiazolin-6-sulfonic acid) radicals. The results suggested that MLP could be explored as natural antioxidant.

  16. Optimization of extraction, characterization and antioxidant activity of polysaccharides from Brassica rapa L.

    Science.gov (United States)

    Wang, Wei; Wang, Xiaoqing; Ye, Hong; Hu, Bing; Zhou, Li; Jabbar, Saqib; Zeng, Xiaoxiong; Shen, Wenbiao

    2016-01-01

    The root of Brassica rapa L. has been traditionally used as a Uyghur folk medicine to cure cough and asthma by Uyghur nationality in Xinjiang Uygur Autonomous Region of China. In the present study, therefore, extraction optimization, characterization and antioxidant activity in vitro of polysaccharides from the root of B. rapa L. (BRP) were investigated. The optimal extraction conditions with an extraction yield of 21.48 ± 0.41% for crude BRP were obtained as follows: extraction temperature 93°C, extraction time 4.3h and ratio of extraction solvent (water) to raw material 75 mL/g. The crude BRP was purified by chromatographic columns of DEAE-52 cellulose and Sephadex G-100, affording three purified fractions of BRP-1-1, BRP-2-1 and BRP-2-2 with average molecular weight of 1510, 1110 and 838 kDa, respectively. Monosaccharide composition analysis indicated that BRP-1-1 was composed of mannose, rhamnose, glucose, galactose and arabinose, BRP-2-1 was composed of rhamnose, galacturonic acid, galactose and arabinose, and BRP-2-2 was composed of rhamnose and galacturonic acid in a molar ratio of 1.27: 54.92. Furthermore, the crude BRP exhibited relatively higher antioxidant activity in vitro than purified fractions; hence, it could be used as a natural antioxidant in functional foods or medicines.

  17. Optimization, purification, and characterization of L-asparaginase from Actinomycetales bacterium BkSoiiA.

    Science.gov (United States)

    Dash, Chitrangada; Mohapatra, Sukanti Bala; Maiti, Prasanta Kumar

    2016-01-01

    Actinobacteria are promising source of a wide range of important enzymes, some of which are produced in industrial scale, with others yet to be harnessed. L-Asparaginase is used as an antineoplastic agent. The present work deals with the production and optimization of L-asparaginase from Actinomycetales bacterium BkSoiiA using submerged fermentation in M9 medium. Production optimization resulted in a modified M9 medium with yeast extract and fructose as carbon and nitrogen sources, respectively, at pH 8.0, incubated for 120 hr at 30 ± 2 °C. The crude enzyme was purified to near homogeneity by ammonium sulfate precipitation following dialysis, ion-exchange column chromatography, and finally gel filtration. The sodium dodecyl sulfate (SDS) polyacrylamide gel electrophoresis (PAGE) revealed an apparent molecular weight of 57 kD. The enzyme was purified 95.06-fold and showed a final specific activity of 204.37 U/mg with 3.49% yield. The purified enzyme showed maximum activity at a pH 10.0 and was stable at pH 7.0 to 9.0. The enzyme was activated by Mn(2+) and strongly inhibited by Ba(2+). All these preliminary characterization suggests that the L-asparaginase from the source may be a tool useful to pharmaceutical industries after further research.

  18. COMPARISON BETWEEN ASPHALTENES (SUBFRACTIONS EXTRACTED FROM TWO DIFFERENT ASPHALTIC RESIDUES: CHEMICAL CHARACTERIZATION AND PHASE BEHAVIOR

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    Silas R. Ferreira

    2016-01-01

    Full Text Available Asphaltenes are blamed for various problems in the petroleum industry, especially formation of solid deposits and stabilization of water-in-oil emulsions. Many studies have been conducted to characterize chemical structures of asphaltenes and assess their phase behavior in crude oil or in model-systems of asphaltenes extracted from oil or asphaltic residues from refineries. However, due to the diversity and complexity of these structures, there is still much to be investigated. In this study, asphaltene (subfractions were extracted from an asphaltic residue (AR02, characterized by NMR, elemental analysis, X-ray fluorescence and MS-TOF, and compared to asphaltene subfractions obtained from another asphaltic residue (AR01 described in a previous article. The (subfractions obtained from the two residues were used to prepare model-systems containing 1 wt% of asphaltenes in toluene and their phase behavior was evaluated by measuring asphaltene precipitation onset using optical microscopy. The results obtained indicated minor differences between the asphaltene fractions obtained from the asphaltic residues of distinct origins, with respect to aromaticity, elemental composition (CHN, presence and content of heteroelements and average molar mass. Regarding stability, minor differences in molecule polarity appear to promote major differences in the phase behavior of each of the asphaltene fractions isolated.

  19. Physical-Chemical Characterization and Formulation Considerations for Solid Lipid Nanoparticles.

    Science.gov (United States)

    Chauhan, Harsh; Mohapatra, Sarat; Munt, Daniel J; Chandratre, Shantanu; Dash, Alekha

    2016-06-01

    Pure glyceryl mono-oleate (GMO) (lipid) and different batches of GMO commonly used for the preparation of GMO-chitosan nanoparticles were characterized by modulated differential scanning calorimetry (MDSC), cryo-microscopy, and cryo-X-ray powder diffraction techniques. GMO-chitosan nanoparticles containing poloxamer 407 as a stabilizer in the absence and presence of polymers as crystallization inhibitors were prepared by ultrasonication. The effect of polymers (polyvinyl pyrrolidone (PVP), Eudragits, hydroxyl propyl methyl cellulose (HPMC), polyethylene glycol (PEG)), surfactants (poloxamer), and oils (mineral oil and olive oil) on the crystallization of GMO was investigated. GMO showed an exothermic peak at around -10°C while cooling and another exothermic peak at around -12°C while heating. It was followed by two endothermic peaks between 15 and 30 C, indicative of GMO melting. The results are corroborated by cryo-microscopy and cryo-X-ray. Significant differences in exothermic and endothermic transition were observed between different grades of GMO and pure GMO. GMO-chitosan nanoparticles resulted in a significant increase in particle size after lyophilization. MDSC confirmed that nanoparticles showed similar exothermic crystallization behavior of lipid GMO. MDSC experiments showed that PVP inhibits GMO crystallization and addition of PVP showed no significant increase in particle size of solid lipid nanoparticle (SLN) during lyophilization. The research highlights the importance of extensive physical-chemical characterization for successful formulation of SLN.

  20. Magnetite Fe3O4 nanoparticles synthesis by wet chemical reduction and their characterization

    Science.gov (United States)

    Chaki, S. H.; Malek, Tasmira J.; Chaudhary, M. D.; Tailor, J. P.; Deshpande, M. P.

    2015-09-01

    The authors report the synthesis of Fe3O4 nanoparticles by wet chemical reduction technique at ambient temperature and its characterization. Ferric chloride hexa-hydrate (FeCl3 · 6H2O) and sodium boro-hydrate (NaBH4) were used for synthesis of Fe3O4 nanoparticles at ambient temperature. The elemental composition of the synthesized Fe3O4 nanoparticles was determined by energy dispersive analysis of x-rays technique. The x-ray diffraction (XRD) technique was used for structural characterization of the nanoparticles. The crystallite size of the nanoparticles was determined using XRD data employing Scherrer’s formula and Hall-Williamson’s plot. Surface morphology of as-synthesized Fe3O4 nanoparticles was studied by scanning electron microscopy. High resolution transmission electron microscopy analysis of the as-synthesized Fe3O4 nanoparticles showed narrow range of particles size distribution. The optical absorption of the synthesized Fe3O4 nanoparticles was studied by UV-vis-NIR spectroscopy. The as-synthesized nanoparticles were analyzed by Fourier transform infrared spectroscopy technique for absorption band study in the infrared region. The magnetic properties of the as-synthesized Fe3O4 nanoparticles were evaluated by vibrating sample magnetometer technique. The thermal stability of the as-synthesized Fe3O4 nanoparticles was studied by thermogravimetric technique. The obtained results are elaborated and discussed in details in this paper.

  1. Optimization of Gas-Water Absorption Equilibrium of Carbon Dioxide for Algae Liquors: Selection of Alkaline Buffering Chemicals

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    Wen-Hsi Cheng

    2016-01-01

    Full Text Available The apparent Henry’s Law constant (H′, which quantifies the concentration partition of a gas-liquid equilibrium of carbon dioxide (CO2, is used to optimize the absorption of carbon dioxide in algae liquors. The values of H′ were examined under various conditions: in water at different temperatures (27 and 37°C, in alkaline buffering chemicals (sodium hydroxide (NaOH and sodium carbonate (Na2CO3, and in aquatic algae plants (Egeria densa and Anubias barteri nana. The optimal conditions for CO2 absorption can be obtained by controlling the aqueous pH values (around weak alkalinity with pH 9-10 using sodium carbonate as an alkaline buffering chemical at 27°C, yielding exact H′ values of around 16.3–21.3 atm/M, which were obtained from the mean gaseous CO2 concentration of 803 ppm and the total aqueous carbonate concentration of 4.085 mg/L. The experimental results reveal that an alkaline buffering compound, sodium carbonate, can be added to water to maintain a constant aqueous alkalinity enough for the fixation of carbon dioxide by the photosynthesis of green algae in a photobioreactor.

  2. The optimal one dimensional periodic table: a modified Pettifor chemical scale from data mining

    Science.gov (United States)

    Glawe, Henning; Sanna, Antonio; Gross, E. K. U.; Marques, Miguel A. L.

    2016-09-01

    Starting from the experimental data contained in the inorganic crystal structure database, we use a statistical analysis to determine the likelihood that a chemical element A can be replaced by another B in a given structure. This information can be used to construct a matrix where each entry (A,B) is a measure of this likelihood. By ordering the rows and columns of this matrix in order to reduce its bandwidth, we construct a one-dimension ordering of the chemical elements, analogous to the famous Pettifor scale. The new scale shows large similarities with the one of Pettifor, but also striking differences, especially in what comes to the ordering of the non-metals.

  3. Notes: Toward Characterizing the Optimal Allocation of Storage Space in Production Line Systems with Variable Processing Times

    OpenAIRE

    Hillier, FS; So, KC; Boling, RW

    1993-01-01

    This investigation considers certain issues regarding the optimal design of unpaced production lines with variable processing times. Under certain assumptions, including an equal allocation of buffer storage space between the respective pairs of stations, it is known that the optimal allocation of work is characterized by the "bowl phenomenon" whereby the interior stations (especially the center ones) are given preferential treatment (less work) over the end stations. The key question now bei...

  4. Chemical Characterization of Different Sumac and Pomegranate Extracts Effective against Botrytis cinerea Rots.

    Science.gov (United States)

    Romeo, Flora V; Ballistreri, Gabriele; Fabroni, Simona; Pangallo, Sonia; Nicosia, Maria Giulia Li Destri; Schena, Leonardo; Rapisarda, Paolo

    2015-06-30

    Pomegranate (Punica granatum L.) peel and sumac (Rhus coriaria L.) fruit and leaf extracts were chemically characterized and their ability to inhibit table grape (cv. Italia) rots caused by Botrytis cinerea was evaluated on artificially inoculated berries. Different extraction methods were applied and extracts were characterized through Ultra Fast High Performance Liquid Chromatography coupled to Photodiode array detector and Electrospray ionization Mass spectrometer (UPLC-PDA-ESI/MSn) for their phenol and anthocyanin contents. The concentrated pomegranate peel extract (PGE-C) was the richest in phenols (66.97 g gallic acid equivalents/kg) while the concentrated sumac extract from fruits (SUF-C) showed the highest anthocyanin amount (171.96 mg cyanidin 3-glucoside equivalents/kg). Both phenolic and anthocyanin profile of pomegranate and sumac extracts were quite different: pomegranate extract was rich in cyanidin 3-glucoside, pelargonidin 3-glucoside and ellagic acid derivatives, while sumac extract was characterized by 7-methyl-cyanidin 3-galactoside and gallic acid derivatives. The concentrated extracts from both pomegranate peel and sumac leaves significantly reduced the development of Botrytis rots. In particular, the extract from pomegranate peel completely inhibited the pathogen at different intervals of time (0, 12, and 24 h) between treatment and pathogen inoculation on fruits maintained at 22-24 °C and high relative humidity (RH). This extract may represent a valuable alternative to control postharvest fungal rots in view of its high efficacy because of the low cost of pomegranate peel, which is a waste product of processing factories.

  5. Chemical Characterization of Different Sumac and Pomegranate Extracts Effective against Botrytis cinerea Rots

    Directory of Open Access Journals (Sweden)

    Flora V. Romeo

    2015-06-01

    Full Text Available Pomegranate (Punica granatum L. peel and sumac (Rhus coriaria L. fruit and leaf extracts were chemically characterized and their ability to inhibit table grape (cv. Italia rots caused by Botrytis cinerea was evaluated on artificially inoculated berries. Different extraction methods were applied and extracts were characterized through Ultra Fast High Performance Liquid Chromatography coupled to Photodiode array detector and Electrospray ionization Mass spectrometer (UPLC-PDA-ESI/MSn for their phenol and anthocyanin contents. The concentrated pomegranate peel extract (PGE-C was the richest in phenols (66.97 g gallic acid equivalents/kg while the concentrated sumac extract from fruits (SUF-C showed the highest anthocyanin amount (171.96 mg cyanidin 3-glucoside equivalents/kg. Both phenolic and anthocyanin profile of pomegranate and sumac extracts were quite different: pomegranate extract was rich in cyanidin 3-glucoside, pelargonidin 3-glucoside and ellagic acid derivatives, while sumac extract was characterized by 7-methyl-cyanidin 3-galactoside and gallic acid derivatives. The concentrated extracts from both pomegranate peel and sumac leaves significantly reduced the development of Botrytis rots. In particular, the extract from pomegranate peel completely inhibited the pathogen at different intervals of time (0, 12, and 24 h between treatment and pathogen inoculation on fruits maintained at 22–24 °C and high relative humidity (RH. This extract may represent a valuable alternative to control postharvest fungal rots in view of its high efficacy because of the low cost of pomegranate peel, which is a waste product of processing factories.

  6. Characterization of interfade duration for satellite communication systems design and optimization in a temperate climate

    Science.gov (United States)

    Jorge, Flávio; Riva, Carlo; Rocha, Armando

    2016-03-01

    The characterization of the fade dynamics on Earth-satellite links is an important subject when designing the so called fade mitigation techniques that contribute to the proper reliability of the satellite communication systems and the customers' quality of service (QoS). The interfade duration, defined as the period between two consecutive fade events, has been only poorly analyzed using limited data sets, but its complete characterization would enable the design and optimization of the satellite communication systems by estimating the system requirements to recover in time before the next propagation impairment. Depending on this analysis, several actions can be taken ensuring the service maintenance. In this paper we present for the first time a detailed and comprehensive analysis of the interfade events statistical properties based on 9 years of in-excess attenuation measurements at Ka band (19.7 GHz) with very high availability that is required to build a reliable data set mainly for the longer interfade duration events. The number of years necessary to reach the statistical stability of interfade duration is also evaluated for the first time, providing a reference when accessing the relevance of the results published in the past. The study is carried out in Aveiro, Portugal, which is conditioned by temperate Mediterranean climate with Oceanic influences.

  7. Extraction Optimization, Preliminary Characterization and Bioactivities in Vitro of Ligularia hodgsonii Polysaccharides

    Directory of Open Access Journals (Sweden)

    Xueping Song

    2016-05-01

    Full Text Available The optimization extraction, preliminary characterization and bioactivities of Ligularia hodgsonii polysaccharides were investigated. Based on single-factor experiments and orthogonal array test, the optimum extraction conditions were obtained as follows: extraction time 3 h, temperature 85 °C, water/raw material ratio 36. Further Sevag deproteinization and dialysis yielded the dialyzed Ligularia hodgsonii polysaccharides (DLHP, 19.2 ± 1.4 mg/g crude herb. Compositional analysis, size-exclusion chromatography connected with multi-angle laser light-scattering and refractive index (SEC-MALLS-RI, Fourier transform infrared (FT-IR and 1H nuclear magnetic resonance (NMR spectroscopy were employed for characterization of the polysaccharides. DLHP was found to have a major component with a weight-average molecular weight of 1.17 × 105 Da, mainly comprising of glucose, galactose, arabinose, mannose, rhamnose, glucuronic acid and galacturonic acid. By in vitro antioxidant activity assays, DLHP presented remarkable scavenging capacities towards 1,1-diphenyl-2-picrylhydrazyl (DPPH, 2,2′-azinobis (3-ethylbenzothiazoline-6-sulfonic acid (ABTS and hydroxyl radicals, and ferrous ions chelating ability. Moreover, it exhibited appreciable anti-hyperglycemic activity as demonstrated by differential inhibition of α-glucosidase and α-amylase. The results indicated that DLHP could potentially be a resource for antioxidant and hypoglycemic agents.

  8. Extraction Optimization, Preliminary Characterization and Bioactivities in Vitro of Ligularia hodgsonii Polysaccharides.

    Science.gov (United States)

    Song, Xueping; Tang, Jun

    2016-05-21

    The optimization extraction, preliminary characterization and bioactivities of Ligularia hodgsonii polysaccharides were investigated. Based on single-factor experiments and orthogonal array test, the optimum extraction conditions were obtained as follows: extraction time 3 h, temperature 85 °C, water/raw material ratio 36. Further Sevag deproteinization and dialysis yielded the dialyzed Ligularia hodgsonii polysaccharides (DLHP, 19.2 ± 1.4 mg/g crude herb). Compositional analysis, size-exclusion chromatography connected with multi-angle laser light-scattering and refractive index (SEC-MALLS-RI), Fourier transform infrared (FT-IR) and ¹H nuclear magnetic resonance (NMR) spectroscopy were employed for characterization of the polysaccharides. DLHP was found to have a major component with a weight-average molecular weight of 1.17 × 10⁵ Da, mainly comprising of glucose, galactose, arabinose, mannose, rhamnose, glucuronic acid and galacturonic acid. By in vitro antioxidant activity assays, DLHP presented remarkable scavenging capacities towards 1,1-diphenyl-2-picrylhydrazyl (DPPH), 2,2'-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and hydroxyl radicals, and ferrous ions chelating ability. Moreover, it exhibited appreciable anti-hyperglycemic activity as demonstrated by differential inhibition of α-glucosidase and α-amylase. The results indicated that DLHP could potentially be a resource for antioxidant and hypoglycemic agents.

  9. Production of poly-N-acetylglucosamine by Staphylococcus saprophyticus BMSZ711: characterization and production optimization.

    Science.gov (United States)

    Zamil, Sheikh Shawkat; Ahmad, Shabir; Choi, Mun Hwan; Yoon, Sung Chul

    2010-09-01

    This is the first report on the characterization and production optimization of poly-N-acetylglucosamine (PNAG) in Staphylococcus saprophyticus. A strain producing glucosamine exopolysaccharide was isolated and characterized by biochemical test and 16S rRNA gene sequence homology analysis and named as S. saprophyticus BMSZ711. The molecular mass of the purified exopolymer was about 12 kDa. Digestion of the PNAG with DispersinB proved that it has beta-1,6 linkage. BMSZ711 can only produce PNAG when grown in M1 minimal medium but not in nutrient rich medium with optimum temperature of 30 degrees C and pH of 7. Glycerol and ammonium sulfate were found to be the best carbon and nitrogen source, respectively. Maximum PNAG production was obtained when glycerol 100mM, ammonium sulfate 0.3%, yeast extract 1.5 g/L, sodium chloride 10 g/L and valine 2mM were used.

  10. Chemical and morphological characterization of sugarcane bagasse submitted to a delignification process for enhanced enzymatic digestibility

    Directory of Open Access Journals (Sweden)

    Rezende Camila

    2011-11-01

    Full Text Available Abstract Background In recent years, biorefining of lignocellulosic biomass to produce multi-products such as ethanol and other biomaterials has become a dynamic research area. Pretreatment technologies that fractionate sugarcane bagasse are essential for the successful use of this feedstock in ethanol production. In this paper, we investigate modifications in the morphology and chemical composition of sugarcane bagasse submitted to a two-step treatment, using diluted acid followed by a delignification process with increasing sodium hydroxide concentrations. Detailed chemical and morphological characterization of the samples after each pretreatment condition, studied by high performance liquid chromatography, solid-state nuclear magnetic resonance, diffuse reflectance Fourier transformed infrared spectroscopy and scanning electron microscopy, is reported, together with sample crystallinity and enzymatic digestibility. Results Chemical composition analysis performed on samples obtained after different pretreatment conditions showed that up to 96% and 85% of hemicellulose and lignin fractions, respectively, were removed by this two-step method when sodium hydroxide concentrations of 1% (m/v or higher were used. The efficient lignin removal resulted in an enhanced hydrolysis yield reaching values around 100%. Considering the cellulose loss due to the pretreatment (maximum of 30%, depending on the process, the total cellulose conversion increases significantly from 22.0% (value for the untreated bagasse to 72.4%. The delignification process, with consequent increase in the cellulose to lignin ratio, is also clearly observed by nuclear magnetic resonance and diffuse reflectance Fourier transformed infrared spectroscopy experiments. We also demonstrated that the morphological changes contributing to this remarkable improvement occur as a consequence of lignin removal from the sample. Bagasse unstructuring is favored by the loss of cohesion between

  11. RSM Based Optimization of Chemical and Enzymatic Transesterification of Palm Oil: Biodiesel Production and Assessment of Exhaust Emission Levels

    Directory of Open Access Journals (Sweden)

    Muhammad Waseem Mumtaz

    2014-01-01

    Full Text Available Current study presents RSM based optimized production of biodiesel from palm oil using chemical and enzymatic transesterification. The emission behavior of biodiesel and its blends, namely, POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 was examined using diesel engine (equipped with tube well. Optimized palm oil fatty acid methyl esters (POFAMEs yields were depicted to be 47.6±1.5,  92.7±2.5, and 95.4±2.0% for chemical transesterification catalyzed by NaOH, KOH, and NaOCH3, respectively, whereas for enzymatic transesterification reactions catalyzed by NOVOZYME-435 and A. n. lipase optimized biodiesel yields were 94.2±3.1 and 62.8±2.4%, respectively. Distinct decrease in particulate matter (PM and carbon monoxide (CO levels was experienced in exhaust emissions from engine operating on biodiesel blends POB-5, POB-20, POB-40, POB-50, POB-80, and POB-100 comparative to conventional petroleum diesel. Percentage change in CO and PM emissions for different biodiesel blends ranged from −2.1 to −68.7% and −6.2 to −58.4%, respectively, relative to conventional diesel, whereas an irregular trend was observed for NOx emissions. Only POB-5 and POB-20 showed notable reductions, whereas all other blends (POB-40 to POB-100 showed slight increase in NOx emission levels from 2.6 to 5.5% comparative to petroleum diesel.

  12. Optimized Temporal Window for Detection and Characterization of Renal Cell Carcinomas with Dynamic CT Scanning

    Institute of Scientific and Technical Information of China (English)

    Jinhong Wang; Peijun Wang; Xiaohu Zhao; Xinqin Mao; Xiaolong Gao; Jun Liu

    2005-01-01

    OBJECTIVE To investigate the optimized time period for detection and characterization of renal cell carcinomas (RCC) when the specific CT features appear during spiral dynamic CT scanning, and to optimize an effective scanning protocol of spiral CT for evaluating RCC.METHODS Twenty-four patients with RCC verified by pathology had undergone a dynamic CT (D-CT) scan. A plain scan was employed to select the target slice. Single-level dynamic scanning started at 14-17 s after the intravenous contrast media had been administered, with a scan interval of 4.9 s acquiring a total number of 17~24 frames. A regular CT scan of the whole kidney followed by a delayed single slice acquisition through the target slice in the excretory phase was performed. Images were assessed in two ways: (1) A group of experienced radiologists reviewed the CT images to find when the specific signs appeared and when the CT features of RCC were optimally displayed; (2) Data measurement of the time-density curves (T-DC) of RCC. The exact time was obtained when the densities of the tumor, renal parenchyma, medulla and aorta reached their peak enhancement, thus also the time when the density difference between tumor and parenchyma was at maximum (Max T-M). Based on the slope of the contrast media uptake curve, T-DC types were ranked from the smallest to the biggest of slope as type A, B and C.RESULTS 1. The review of the CT images by the radiologists showed that the CT features of RCC were optimally demonstrated at 70.2 s. The earliest time at which RCC CT features were examined was at 23.9 s. 2. Image data analysis: the time that the density (or CT value) of the tumor mass reached peak enhancement was at 54 s and peak value was at 80.4 Hu for RCC. The time of the maximal difference of densities between tumor and renal parenchyma was at 102 s.CONCLUSION The following proposal is the scanning protocol for detecting RCC recommended by our research: After a plain scan to determine the target level, a

  13. Experimental characterization and multidisciplinary conceptual design optimization of a bendable load stiffened unmanned air vehicle wing

    Science.gov (United States)

    Jagdale, Vijay Narayan

    Demand for deployable MAVs and UAVs with wings designed to reduce aircraft storage volume led to the development of a bendable wing concept at the University of Florida (UF). The wing shows an ability to load stiffen in the flight load direction, still remaining compliant in the opposite direction, enabling UAV storage inside smaller packing volumes. From the design prospective, when the wing shape parameters are treated as design variables, the performance requirements : high aerodynamic efficiency, structural stability under aggressive flight loads and desired compliant nature to prevent breaking while stored, in general conflict with each other. Creep deformation induced by long term storage and its effect on the wing flight characteristics are additional considerations. Experimental characterization of candidate bendable UAV wings is performed in order to demonstrate and understand aerodynamic and structural behavior of the bendable load stiffened wing under flight loads and while the wings are stored inside a canister for long duration, in the process identifying some important wing shape parameters. A multidisciplinary, multiobjective design optimization approach is utilized for conceptual design of a 24 inch span and 7 inch root chord bendable wing. Aerodynamic performance of the wing is studied using an extended vortex lattice method based Athena Vortex Lattice (AVL) program. An arc length method based nonlinear FEA routine in ABAQUS is used to evaluate the structural performance of the wing and to determine maximum flying velocity that the wing can withstand without buckling or failing under aggressive flight loads. An analytical approach is used to study the stresses developed in the composite wing during storage and Tsai-Wu criterion is used to check failure of the composite wing due to the rolling stresses to determine minimum safe storage diameter. Multidisciplinary wing shape and layup optimization is performed using an elitist non-dominated sorting

  14. Use of comparative genomics approaches to characterize interspecies differences in response to environmental chemicals: Challenges, opportunities, and research needs

    Energy Technology Data Exchange (ETDEWEB)

    Burgess-Herbert, Sarah L., E-mail: sarah.burgess@alum.mit.edu [American Association for the Advancement of Science (AAAS) Science and Technology Policy Fellow at the US Environmental Protection Agency (EPA), 2009–10 (United States); Euling, Susan Y. [National Center for Environmental Assessment, Office of Research and Development, US Environmental Protection Agency, Washington, DC 20460 (United States)

    2013-09-15

    A critical challenge for environmental chemical risk assessment is the characterization and reduction of uncertainties introduced when extrapolating inferences from one species to another. The purpose of this article is to explore the challenges, opportunities, and research needs surrounding the issue of how genomics data and computational and systems level approaches can be applied to inform differences in response to environmental chemical exposure across species. We propose that the data, tools, and evolutionary framework of comparative genomics be adapted to inform interspecies differences in chemical mechanisms of action. We compare and contrast existing approaches, from disciplines as varied as evolutionary biology, systems biology, mathematics, and computer science, that can be used, modified, and combined in new ways to discover and characterize interspecies differences in chemical mechanism of action which, in turn, can be explored for application to risk assessment. We consider how genetic, protein, pathway, and network information can be interrogated from an evolutionary biology perspective to effectively characterize variations in biological processes of toxicological relevance among organisms. We conclude that comparative genomics approaches show promise for characterizing interspecies differences in mechanisms of action, and further, for improving our understanding of the uncertainties inherent in extrapolating inferences across species in both ecological and human health risk assessment. To achieve long-term relevance and consistent use in environmental chemical risk assessment, improved bioinformatics tools, computational methods robust to data gaps, and quantitative approaches for conducting extrapolations across species are critically needed. Specific areas ripe for research to address these needs are recommended.

  15. Irrelevance of the power stroke for the directionality, stopping force, and optimal efficiency of chemically driven molecular machines.

    Science.gov (United States)

    Astumian, R Dean

    2015-01-20

    A simple model for a chemically driven molecular walker shows that the elastic energy stored by the molecule and released during the conformational change known as the power-stroke (i.e., the free-energy difference between the pre- and post-power-stroke states) is irrelevant for determining the directionality, stopping force, and efficiency of the motor. Further, the apportionment of the dependence on the externally applied force between the forward and reverse rate constants of the power-stroke (or indeed among all rate constants) is irrelevant for determining the directionality, stopping force, and efficiency of the motor. Arguments based on the principle of microscopic reversibility demonstrate that this result is general for all chemically driven molecular machines, and even more broadly that the relative energies of the states of the motor have no role in determining the directionality, stopping force, or optimal efficiency of the machine. Instead, the directionality, stopping force, and optimal efficiency are determined solely by the relative heights of the energy barriers between the states. Molecular recognition--the ability of a molecular machine to discriminate between substrate and product depending on the state of the machine--is far more important for determining the intrinsic directionality and thermodynamics of chemo-mechanical coupling than are the details of the internal mechanical conformational motions of the machine. In contrast to the conclusions for chemical driving, a power-stroke is very important for the directionality and efficiency of light-driven molecular machines and for molecular machines driven by external modulation of thermodynamic parameters.

  16. Characterization of rocket propellant combustion products. Chemical characterization and computer modeling of the exhaust products from four propellant formulations: Final report, September 23, 1987--April 1, 1990

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, R.A.; Nestor, C.W.; Thompson, C.V.; Gayle, T.M.; Ma, C.Y.; Tomkins, B.A.; Moody, R.L.

    1991-12-09

    The overall objective of the work described in this report is four-fold: to (a) develop a standardized and experimentally validated approach to the sampling and chemical and physical characterization of the exhaust products of scaled-down rocket launch motors fired under experimentally controlled conditions at the Army`s Signature Characterization Facility (ASCF) at Redstone Arsenal in Huntsville, Alabama; (b) determine the composition of the exhaust produces; (c) assess the accuracy of a selected existing computer model for predicting the composition of major and minor chemical species; (d) recommended alternations to both the sampling and analysis strategy and the computer model in order to achieve greater congruence between chemical measurements and computer prediction. 34 refs., 2 figs., 35 tabs.

  17. Electrical characterization of chemical and dielectric passivation of InAs nanowires

    Science.gov (United States)

    Holloway, Gregory W.; Haapamaki, Chris M.; Kuyanov, Paul; LaPierre, Ray R.; Baugh, Jonathan

    2016-11-01

    The native oxide at the surface of III-V nanowires, such as InAs, can be a major source of charge noise and scattering in nanowire-based electronics, particularly for quantum devices operated at low temperatures. Surface passivation provides a means to remove the native oxide and prevent its regrowth. Here, we study the effects of surface passivation and conformal dielectric deposition by measuring electrical conductance through nanowire field effect transistors treated with a variety of surface preparations. By extracting field effect mobility, subthreshold swing, threshold shift with temperature, and the gate hysteresis for each device, we infer the relative effects of the different treatments on the factors influencing transport. It is found that a combination of chemical passivation followed by deposition of an aluminum oxide dielectric shell yields the best results compared to the other treatments, and comparable to untreated nanowires. Finally, it is shown that an entrenched, top-gated device using an optimally treated nanowire can successfully form a stable double quantum dot at low temperatures. The device has excellent electrostatic tunability owing to the conformal dielectric layer and the combination of local top gates and a global back gate.

  18. Optimization of nanopores obtained by chemical etching on swift-ion irradiated lithium niobate

    Energy Technology Data Exchange (ETDEWEB)

    Crespillo, M.L.; Otto, M.; Munoz-Martin, A. [Centro de Microanalisis de Materiales (CMAM), Universidad Autonoma de Madrid (UAM), Cantoblanco, E-28049 Madrid (Spain); Olivares, J. [Centro de Microanalisis de Materiales (CMAM), Universidad Autonoma de Madrid (UAM), Cantoblanco, E-28049 Madrid (Spain); Instituto de Optica, CSIC, C/Serrano 121, E-28006 Madrid (Spain)], E-mail: j.olivares@io.cfmac.csic.es; Agullo-Lopez, F. [Centro de Microanalisis de Materiales (CMAM), Universidad Autonoma de Madrid (UAM), Cantoblanco, E-28049 Madrid (Spain); Departamento de Fisica de Materiales, Universidad Autonoma de Madrid (UAM) Cantoblanco, 28049 Madrid (Spain); Seibt, M. [IV. Physikalisches Institut, Universitaet Goettingen, Institut fuer Halbleiterphysik, Tammannstr. 1, D-37077 Goettingen (Germany); Toulemonde, M. [Centre Interdisciplinaire de Recherche Ions-Lasers, UMR 11 CEA-CNRS, 14040 Caen Cedex (France); Trautmann, C. [Gesellschaft fuer Schwerionenforschung (GSI), Materialforschung, Planckstrasse 1, 64291 Darmstadt (Germany)

    2009-03-15

    The morphology of the nanopores obtained by chemical etching on ion-beam irradiated LiNbO{sub 3} has been investigated for a variety of ions (F, Br, Kr, Cu, Pb), energies (up to 2300 MeV), and stopping powers (up to 35 keV/nm) in the electronic energy loss regime. The role of etching time and etching agent on the pore morphology, diameter, depth, and shape has also been studied. The transversal and depth profiles of the pore have been found to be quite sensitive to both irradiation and etching parameters. Moreover, two etching regimes with different morphologies and etching rates have been identified.

  19. On the sensitivity, selectivity, sensory information and optimal size of resistive chemical sensors

    CERN Document Server

    Kish, L B; Heszler, P; Smulko, J; Granqvist, Claes-Goran; Heszler, Peter; Kish, Laszlo B.; Smulko, Janusz

    2007-01-01

    Information theoretical tools are applied for the study of the sensitivity and selectivity enhancements of resistive fluctuation-enhanced sensors. General considerations are given for the upper limit of selectivity enhancement. The signal-to-noise ratio and information channel capacity of fluctuation-enhanced chemical sensors is compared to that of classical sensors providing a single output. The considerations are done at the generic level with a few concrete examples and include the estimation of scaling relations between the sensor size, the signal power, the noise power and the speed of measurements versus the size, sampling rate and measurement time.

  20. A Study on SVM Based on the Weighted Elitist Teaching-Learning-Based Optimization and Application in the Fault Diagnosis of Chemical Process

    Directory of Open Access Journals (Sweden)

    Cao Junxiang

    2015-01-01

    Full Text Available Teaching-Learning-Based Optimization (TLBO is a new swarm intelligence optimization algorithm that simulates the class learning process. According to such problems of the traditional TLBO as low optimizing efficiency and poor stability, this paper proposes an improved TLBO algorithm mainly by introducing the elite thought in TLBO and adopting different inertia weight decreasing strategies for elite and ordinary individuals of the teacher stage and the student stage. In this paper, the validity of the improved TLBO is verified by the optimizations of several typical test functions and the SVM optimized by the weighted elitist TLBO is used in the diagnosis and classification of common failure data of the TE chemical process. Compared with the SVM combining other traditional optimizing methods, the SVM optimized by the weighted elitist TLBO has a certain improvement in the accuracy of fault diagnosis and classification.

  1. Optimization of chemical structure of Schottky-type selection diode for crossbar resistive memory.

    Science.gov (United States)

    Kim, Gun Hwan; Lee, Jong Ho; Jeon, Woojin; Song, Seul Ji; Seok, Jun Yeong; Yoon, Jung Ho; Yoon, Kyung Jean; Park, Tae Joo; Hwang, Cheol Seong

    2012-10-24

    The electrical performances of Pt/TiO(2)/Ti/Pt stacked Schottky-type diode (SD) was systematically examined, and this performance is dependent on the chemical structures of the each layer and their interfaces. The Ti layers containing a tolerable amount of oxygen showed metallic electrical conduction characteristics, which was confirmed by sheet resistance measurement with elevating the temperature, transmission line measurement (TLM), and Auger electron spectroscopy (AES) analysis. However, the chemical structure of SD stack and resulting electrical properties were crucially affected by the dissolved oxygen concentration in the Ti layers. The lower oxidation potential of the Ti layer with initially higher oxygen concentration suppressed the oxygen deficiency of the overlying TiO(2) layer induced by consumption of the oxygen from TiO(2) layer. This structure results in the lower reverse current of SDs without significant degradation of forward-state current. Conductive atomic force microscopy (CAFM) analysis showed the current conduction through the local conduction paths in the presented SDs, which guarantees a sufficient forward-current density as a selection device for highly integrated crossbar array resistive memory.

  2. Optimization of enzyme parameters for fermentative production of biorenewable fuels and chemicals

    Directory of Open Access Journals (Sweden)

    Ping Liu

    2012-10-01

    Full Text Available Microbial biocatalysts such as Escherichia coli and Saccharomyces cerevisiae have been extensively subjected to Metabolic Engineering for the fermentative production of biorenewable fuels and chemicals. This often entails the introduction of new enzymes, deletion of unwanted enzymes and efforts to fine-tune enzyme abundance in order to attain the desired strain performance. Enzyme performance can be quantitatively described in terms of the Michaelis-Menten type parameters Km, turnover number kcat and Ki, which roughly describe the affinity of an enzyme for its substrate, the speed of a reaction and the enzyme sensitivity to inhibition by regulatory molecules. Here we describe examples of where knowledge of these parameters have been used to select, evolve or engineer enzymes for the desired performance and enabled increased production of biorenewable fuels and chemicals. Examples include production of ethanol, isobutanol, 1-butanol and tyrosine and furfural tolerance. The Michaelis-Menten parameters can also be used to judge the cofactor dependence of enzymes and quantify their preference for NADH or NADPH. Similarly, enzymes can be selected, evolved or engineered for the preferred cofactor preference. Examples of exporter engineering and selection are also discussed in the context of production of malate, valine and limonene.

  3. Chemical characterization and cytoprotective effect of the hydroethanol extract from Annona coriacea Mart. (Araticum

    Directory of Open Access Journals (Sweden)

    Jose G.A.S Junior

    2016-01-01

    Full Text Available Introduction: Annona coriacea Mart. (araticum is a widely distributed tree in the cerrado. Its value is attributed principally to the consumption of its fruit which possesses a large nutritive potential. The objective was to identify the chemical profile and evaluate the antimicrobial and cytoprotective activity of the hydroethanol extract of A. coriacea Mart. (HEAC leaves against the toxicity of mercury chloride. Materials and Methods: The characterization of components was carried out using high-performance liquid chromatography (HPLC. The minimum inhibitory concentration (MIC was determined by microdilution method in broth with strains of Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. For evaluation of the modulatory and cytoprotective activity of aminoglycoside antibiotics (gentamicin and amikacin and mercury chloride (HgCl2, the substances were associated with the HEAC at subinhibitory concentrations (MIC/8. Results and Discussion: The HPLC analysis revealed the presence of flavonoids such as Luteolin (1.84% and Quercetin (1.19% in elevated concentrations. The HEAC presented an MIC ≥512 μg/mL and significant antagonistic action in aminoglycosides modulation, and it also showed cytoprotective activity to S. aureus (significance P< 0.0001 and E. coli(significance P< 0.05 bacteria against the mercury chloride heavy metal with significance, this action being attributed to the chelating properties of the flavonoids found in the chemical identification. Conclusions: The results acquired in this study show that the HEAC presents cytoprotective activity over the tested strains in vitro and can also present antagonistic effect when associated with aminoglycosides, reinforcing the necessity of taking caution when combining natural and pharmaceutical products.

  4. Flight-based chemical characterization of biomass burning aerosols within two prescribed burn smoke plumes

    Directory of Open Access Journals (Sweden)

    K. A. Pratt

    2011-12-01

    Full Text Available Biomass burning represents a major global source of aerosols impacting direct radiative forcing and cloud properties. Thus, the goal of a number of current studies involves developing a better understanding of how the chemical composition and mixing state of biomass burning aerosols evolve during atmospheric aging processes. During the Ice in Clouds Experiment-Layer Clouds (ICE-L in the fall of 2007, smoke plumes from two small Wyoming Bureau of Land Management prescribed burns were measured by on-line aerosol instrumentation aboard a C-130 aircraft, providing a detailed chemical characterization of the particles. After ~2–4 min of aging, submicron smoke particles, produced primarily from sagebrush combustion, consisted predominantly of organics by mass, but were comprised primarily of internal mixtures of organic carbon, elemental carbon, potassium chloride, and potassium sulfate. Significantly, the fresh biomass burning particles contained minor mass fractions of nitrate and sulfate, suggesting that hygroscopic material is incorporated very near or at the point of emission. The mass fractions of ammonium, sulfate, and nitrate increased with aging up to ~81–88 min and resulted in acidic particles. Decreasing black carbon mass concentrations occurred due to dilution of the plume. Increases in the fraction of oxygenated organic carbon and the presence of dicarboxylic acids, in particular, were observed with aging. Cloud condensation nuclei measurements suggested all particles >100 nm were active at 0.5% water supersaturation in the smoke plumes, confirming the relatively high hygroscopicity of the freshly emitted particles. For immersion/condensation freezing, ice nuclei measurements at −32 °C suggested activation of ~0.03–0.07% of the particles with diameters greater than 500 nm.

  5. Flight-based chemical characterization of biomass burning aerosols within two prescribed burn smoke plumes

    Directory of Open Access Journals (Sweden)

    K. A. Pratt

    2011-06-01

    Full Text Available Biomass burning represents a major global source of aerosols impacting direct radiative forcing and cloud properties. Thus, the goal of a number of current studies involves developing a better understanding of how the chemical composition and mixing state of biomass burning aerosols evolve during atmospheric aging processes. During the Ice in Cloud Experiment – Layer Clouds (ICE-L in fall of 2007, smoke plumes from two small Wyoming Bureau of Land Management prescribed burns were measured by on-line aerosol instrumentation aboard a C-130 aircraft, providing a detailed chemical characterization of the particles. After ~2–4 min of aging, submicron smoke particles, produced primarily from sagebrush combustion, consisted predominantly of organics by mass, but were comprised primarily of internal mixtures of organic carbon, elemental carbon, potassium chloride, and potassium sulfate. Significantly, 100 % of the fresh biomass burning particles contained minor mass fractions of nitrate and sulfate, suggesting that hygroscopic material is incorporated very near or at the point of emission. The mass fractions of ammonium, sulfate, and nitrate increased with aging up to ~81–88 min and resulted in acidic particles, with both nitric acid and sulfuric acid present. Decreasing black carbon mass concentrations occurred due to dilution of the plume. Increases in the fraction of oxygenated organic carbon and the presence of dicarboxylic acids, in particular, were observed with aging. Cloud condensation nuclei measurements suggested all particles >100 nm were active at 0.5 % water supersaturation in the smoke plumes, confirming the relatively high hygroscopicity of the freshly emitted particles. For immersion/condensation freezing, ice nuclei measurements at −32 °C suggested activation of ~0.03–0.07 % of the particles with diameters greater than 500 nm.

  6. Vitellogenin gene characterization and expression of Asian paddle crabs ( Charybdis japonica) following endocrine disrupting chemicals

    Science.gov (United States)

    Park, Kiyun; Kwak, Tae-Soo; Kwak, Ihn-Sil

    2014-06-01

    Vitellogenin (VTG), the yolk-precursor lipoprotein, has been widely recognized as a biomarker for the detection of estrogenic activity in water-borne chemical pollutants. The Asian paddle crab, Charybdis japonica, is a potential bio-indicator for monitoring marine environments. The aim of this study was to identify the possibility of using C. japonica VTG as biomarkers of stress caused by endocrine disrupting chemicals (EDCs). We characterized a partial sequence of the VTG cDNA in the C. japonica crab and evaluated the crab's mRNA expression profiles following exposure to different concentrations of bisphenol A (BPA) and 4-nonylphenol (NP) for 24 or 96 h. The sequence homology of C. japonica VTG is over 93% in nucleotide and over 98% in amino acid with the corresponding gene of other crabs. Phylogenetic analysis revealed that the C. japonica VTG is an ortholog of other species of lobster and shrimp. Tissue distribution analysis of the C. japonica VTG mRNA revealed that the expression of VTG mRNA was highest in the ovary of females and hepatopancreas. The expression of the C. japonica VTG gene in various BPA or NP concentrations during shorter and longer times was assessed. The expression of VTG transcripts was significantly increased in the C. japonica crab exposed to BPA and NP at different concentrations for 24 h. The mRNA expression of the VTG gene was significantly induced in concentration- and time-dependent manners after BPA or NP exposures for 96 h. These results indicate that crab C. japonica VTG could be used as a potential biomarker of EDCs in marine environment monitoring.

  7. Chemical, physical, structural and morphological characterization of the electric arc furnace dust

    Energy Technology Data Exchange (ETDEWEB)

    Machado, Janaina G.M.S. [Laboratorio de Siderurgia/LASID, Universidade Federal do Rio Grande do Sul, UFRGS/PPGEM Centro de Tecnologia, AV. Bento Goncalves 9500 CEP, 91501-970 Caixa postal 15021, Porto Alegre, RS (Brazil)]. E-mail: jana@ct.ufrgs.br; Brehm, Feliciane Andrade [Nucleo de Caracterizacao de Materiais/NucMat, Universidade do Vale do Rio dos Sinos, UNISINOS, Sao Leopoldo, RS (Brazil); Moraes, Carlos Alberto Mendes [Nucleo de Caracterizacao de Materiais/NucMat, Universidade do Vale do Rio dos Sinos, UNISINOS, Sao Leopoldo, RS (Brazil); Santos, Carlos Alberto dos [Nucleo de Educacao a Distancia, Universidade Estadual do Rio Grande do Sul, UERGS, Porto Alegre, RS (Brazil); Vilela, Antonio Cezar Faria [Laboratorio de Siderurgia/LASID, Universidade Federal do Rio Grande do Sul, UFRGS/PPGEM Centro de Tecnologia, AV. Bento Goncalves 9500 CEP, 91501-970 Caixa postal 15021, Porto Alegre, RS (Brazil); Cunha, Joao Batista Marimon da [Instituto de Fisica, Universidade Federal do Rio Grande do Sul, UFRGS, Campus do Vale, Porto Alegre, RS (Brazil)

    2006-08-25

    Electric arc furnace dust (EAFD) is a hazardous industrial waste generated in the collection of particulate material during steelmaking process via electric arc furnace. Important elements to the industry such as, Fe and Zn are the main ones in EAFD. Due to their presence, it becomes very important to know how these elements are combined before studying new technologies for its processing. The aim of this work was to carry out a chemical, physical, structural and morphological characterization of the EAFD. The investigation was carried out by using granulometry analysis, chemical analysis, scanning electron microscopy (SEM), energy dispersive spectroscopy via SEM (EDS), X-ray mapping analysis via SEM, X-ray diffraction (XRD) and Moessbauer spectroscopy. By XRD the following phases were detected: ZnFe{sub 2}O{sub 4}, Fe{sub 3}O{sub 4}, MgFe{sub 2}O{sub 4}, FeCr{sub 2}O {sub 4}, Ca{sub 0.15}Fe{sub 2.85}O{sub 4}, MgO, Mn{sub 3}O{sub 4}, SiO{sub 2} and ZnO. On the other hand, the phases detected by Moessbauer spectroscopy were: ZnFe{sub 2}O{sub 4}, Fe{sub 3}O{sub 4}, Ca{sub 0.15}Fe{sub 2.85}O{sub 4} and FeCr{sub 2}O{sub 4}. Magnesium ferrite (MgFe{sub 2}O{sub 4}), observed in the XRD pattern as overlapped peaks, was not identified in the Moessbauer spectroscopy analysis.

  8. Characterizing the Chemical Stability of High Temperature Materials for Application in Extreme Environments

    Science.gov (United States)

    Opila, Elizabeth

    2005-01-01

    The chemical stability of high temperature materials must be known for use in the extreme environments of combustion applications. The characterization techniques available at NASA Glenn Research Center vary from fundamental thermodynamic property determination to material durability testing in actual engine environments. In this paper some of the unique techniques and facilities available at NASA Glenn will be reviewed. Multiple cell Knudsen effusion mass spectrometry is used to determine thermodynamic data by sampling gas species formed by reaction or equilibration in a Knudsen cell held in a vacuum. The transpiration technique can also be used to determine thermodynamic data of volatile species but at atmospheric pressures. Thermodynamic data in the Si-O-H(g) system were determined with this technique. Free Jet Sampling Mass Spectrometry can be used to study gas-solid interactions at a pressure of one atmosphere. Volatile Si(OH)4(g) was identified by this mass spectrometry technique. A High Pressure Burner Rig is used to expose high temperature materials in hydrocarbon-fueled combustion environments. Silicon carbide (SiC) volatility rates were measured in the burner rig as a function of total pressure, gas velocity and temperature. Finally, the Research Combustion Lab Rocket Test Cell is used to expose high temperature materials in hydrogen/oxygen rocket engine environments to assess material durability. SiC recession due to rocket engine exposures was measured as a function of oxidant/fuel ratio, temperature, and total pressure. The emphasis of the discussion for all techniques will be placed on experimental factors that must be controlled for accurate acquisition of results and reliable prediction of high temperature material chemical stability.

  9. Isolation and chemical characterization of dissolved and particulate polysaccharides in Mikawa Bay

    Science.gov (United States)

    Sakugawa, Hiroshi; Handa, Nobuhiko

    1985-05-01

    Isolation and chemical elucidation of dissolved and particulate polysaccharides in seawater were conducted. The water samples were collected in Mikawa Bay, Japan during a red tide bloom of the dinoflagellate, Prorocentrum minimum. Dissolved polysaccharides were concentrated from 5-101 of seawater with dialysis followed by separation by gel flitration, and isolation by ethanol precipitation. A heteropolysaccharide consisting of glucose, galactose, mannose, xylose, arabinose, fucose and rhamnose and a glucan were isolated from the polysaccharide component having a molecular weight more than 4,000 Dalton and were characterized by several chemical analyses. The heteropolysaccharide is a mucilaginous polysaccharide having a highly branched structure and a molecular weight of 10 4-5 × 10 6 Daltons and probably contains a sulfate half ester: the glucan is a polysaccharide with β-1,3- and 1,6-linkages (chrysolaminaran type). Concentrations of these were respectively ca. 20 and 67 μg l -1 at 1 m, and 2 and 26 μg l -1 at 6 m. A similar heteropolysaccharide was found in the boiling water extract of the particulate matter, while β-glucan was isolated in a much less purified form than the seawater β-glucan. In addition, a large amount of β-1,4 glucan was found in the strong alkali extract of the particulate matter, indicating that this glucan must be a cell wall polysaccharide derived from phytoplankton. These results strongly suggest that the heteropolysaccharide and chrysolaminaran type polysaccharide dissolved in seawater were derived from water soluble carbohydrates of phytoplankton through extracellular release or cell lysis.

  10. Chemical Characterization and Cytoprotective Effect of the Hydroethanol Extract from Annona coriacea Mart. (Araticum)

    Science.gov (United States)

    Júnior, José G. A. S.; Coutinho, Henrique D. M.; Boris, Ticiana C. C.; Cristo, Janyketchuly S.; Pereira, Nara L. F.; Figueiredo, Fernando G.; Cunha, Francisco A. B.; Aquino, Pedro E. A.; Nascimento, Polyana A. C.; Mesquita, Francisco J. C.; Moreira, Paulo H. F.; Coutinho, Sáskia T. B.; Souza, Ivon T.; Teixeira, Gabriela C.; Ferreira, Najla M. N.; Farina, Eleonora O.; Torres, Cícero M. G.; Holanda, Vanderlan N.; Pereira, Vandbergue S.; Guedes, Maria I. F.

    2016-01-01

    Introduction: Annona coriacea Mart. (araticum) is a widely distributed tree in the cerrado. Its value is attributed principally to the consumption of its fruit which possesses a large nutritive potential. The objective was to identify the chemical profile and evaluate the antimicrobial and cytoprotective activity of the hydroethanol extract of A. coriacea Mart. (HEAC) leaves against the toxicity of mercury chloride. Materials and Methods: The characterization of components was carried out using high-performance liquid chromatography (HPLC). The minimum inhibitory concentration (MIC) was determined by microdilution method in broth with strains of Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. For evaluation of the modulatory and cytoprotective activity of aminoglycoside antibiotics (gentamicin and amikacin) and mercury chloride (HgCl2), the substances were associated with the HEAC at subinhibitory concentrations (MIC/8). Results and Discussion: The HPLC analysis revealed the presence of flavonoids such as Luteolin (1.84%) and Quercetin (1.19%) in elevated concentrations. The HEAC presented an MIC ≥512 μg/mL and significant antagonistic action in aminoglycosides modulation, and it also showed cytoprotective activity to S. aureus (significance P metal with significance, this action being attributed to the chelating properties of the flavonoids found in the chemical identification. Conclusions: The results acquired in this study show that the HEAC presents cytoprotective activity over the tested strains in vitro and can also present antagonistic effect when associated with aminoglycosides, reinforcing the necessity of taking caution when combining natural and pharmaceutical products. SUMMARY The hydroalcoholic extract of A. coriacea Mart. presents in vitro cytoprotective activity against the toxic effect of Hg. Abbreviations Used: HPLC-DAD: High-performance liquid chromatography with a diode array detector; MIC: Minimum inhibitory concentration

  11. Chemical characterization of ash from gasification of alfalfa stems: Implications for ash management

    Energy Technology Data Exchange (ETDEWEB)

    Mozaffari, M.; Rosen, C.J.; Russelle, M.P.; Nater, E.A.

    2000-06-01

    Electricity generation from biomass is an attractive option from an environmental perspective. Pilot studies have indicated that alfalfa (Medicago sativa L.) stems are suitable feedstock for energy generation via gasification. Detailed information on chemical characteristics of the ash generated from gasification of alfalfa stem is required to develop environmentally and economically sound ash management strategies. Alfalfa fly and bottom ashes were characterized with respect to chemical properties that are important in developing ash management practices with emphasis on beneficial utilization as a soil amendment. Mean concentrations of total C, K, Ca, and Cl were 424, 120, 85, and 26 g kg{sup {minus}1}, respectively, in fly ash. In bottom ash, the mean concentrations of C, K, and Ca, were 63, 61, and 193 g kg{sup {minus}1}. Concentrations of total Pb, As, Cd, Co, and Se were below detection limits in both ash types. Naphthalene ranged from 6.2 to 74 mg kg{sup {minus}1}, but concentrations of many other polyaromatic hydrocarbons were low or below mg kg{sup {minus}1} detection limits. Available K and P in fly ash were 90 to 120 and 8 to 10 g kg{sup {minus}1}, respectively. Mean CaCO{sub 3} equivalent value of fly ash was 400 g kg{sup {minus}1}, its electrical conductivity (EC) and pH were 127 dS m{sup {minus}1} and 11.5, respectively. These results suggest that when managed properly, gasified alfalfa ash could potentially be utilized as a beneficial soil amendment with few potential environmental concerns.

  12. Chemical functionalization, characterization, and application of single-walled carbon nanotubes

    Science.gov (United States)

    Zhao, Bin

    Due to their unique properties, carbon nanotubes have received considerable attention. In this dissertation, the characterization, chemical functionalization and application of single-walled carbon nanotubes (SWNTs) are discussed. The purity and extinction coefficient of SWNTs is measured by using solution phase near infrared (NIR) spectroscopy. The carbonaceous purity of SWNTs produced by the electric arc (EA), laser oven (LO) and HiPco (HC) methods was estimated by measurement of areal absorptivities of the second interband transition of semiconducting nanotube. A number of EA-produced SWNTs samples have been analyzed to estimate an absolute molar extinction coefficient for the carbonaceous impurities in EA-produced SWNT samples. This work is expected to lead to a universal method for the assessment of the absolute bulk purity of SWNTs from all sources. Chemical functionalization is a useful tool to tailor the properties of SWNTs. Water soluble polymers, including poly(aminobenzene sulphonic acid) [(C6H3SOHNH)n] and polyethylene glycol [HO(CH 2CH2O)nH], were used to functionalize SWNTs via amidation or esterification. The resulting SWNT graft copolymers have high solubility in water. The loading of SWNTs in the SWNT-CONH(C6H 3SO3HNH)n and SWNT-COO(CH2CH2 O)nH graft copolymers was estimated to be 35% and 70%, respectively, by thermogravimetric analysis. The mineralization of SWNTs with hydroxyappatite is an important step towards the application of SWNTs as artificial bone material. After functionalization with (C6H3SO3HNH)n and phosphonates, sulphonic acid and phosphonate groups were attached to SWNTs. These functional groups enhanced the nucleation and crystallization of hydroxyappatite on SWNTs. This work can be regarded as a significant beginning in the application of SWNTs in the area of artificial bone materials, where the SWNTs have real potential due to their light-weight and high strength.

  13. Interaction chromatography for characterization and large-scale fractionation of chemically heterogeneous copolymers

    Science.gov (United States)

    Han, Junwon

    The remarkable development of polymer synthesis techniques to make complex polymers with controlled chain architectures has inevitably demanded the advancement of polymer characterization tools to analyze the molecular dispersity in polymeric materials beyond size exclusion chromatography (SEC). In particular, man-made synthetic copolymers that consist of more than one monomer type are disperse mixtures of polymer chains that have distributions in terms of both chemical heterogeneity and chain length (molar mass). While the molecular weight distribution has been quite reliably estimated by the SEC, it is still challenging to properly characterize the chemical composition distribution in the copolymers. Here, I have developed and applied adsorption-based interaction chromatography (IC) techniques as a promising tool to characterize and fractionate polystyrene-based block, random and branched copolymers in terms of their chemical heterogeneity. The first part of this thesis is focused on the adsorption-desorption based purification of PS-b-PMMA diblock copolymers using nanoporous silica. The liquid chromatography analysis and large scale purification are discussed for the PS-b-PMMA block copolymers that have been synthesized by sequential anionic polymerization. SEC and IC are compared to critically analyze the contents of PS homopolymers in the as-synthesized block copolymers. In addition, I have developed an IC technique to provide faster and more reliable information on the chemical heterogeneity in the as-synthesized block copolymers. Finally, a large scale (multi-gram) separation technique is developed to obtain "homopolymer-free" block copolymers via a simple chromatographic filtration technique. By taking advantage of the large specific surface area of nanoporous silica (≈300m 2/g), large scale purification of neat PS-b-PMMA has successfully been achieved by controlling adsorption and desorption of the block copolymers on the silica gel surface using a

  14. Characterization, performance and optimization of PVDF as a piezoelectric film for advanced space mirror concepts.

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Gary D.; Assink, Roger Alan; Dargaville, Tim Richard; Chaplya, Pavel Mikhail; Clough, Roger Lee; Elliott, Julie M.; Martin, Jeffrey W.; Mowery, Daniel Michael; Celina, Mathew Christopher

    2005-11-01

    Piezoelectric polymers based on polyvinylidene fluoride (PVDF) are of interest for large aperture space-based telescopes as adaptive or smart materials. Dimensional adjustments of adaptive polymer films depend on controlled charge deposition. Predicting their long-term performance requires a detailed understanding of the piezoelectric material features, expected to suffer due to space environmental degradation. Hence, the degradation and performance of PVDF and its copolymers under various stress environments expected in low Earth orbit has been reviewed and investigated. Various experiments were conducted to expose these polymers to elevated temperature, vacuum UV, {gamma}-radiation and atomic oxygen. The resulting degradative processes were evaluated. The overall materials performance is governed by a combination of chemical and physical degradation processes. Molecular changes are primarily induced via radiative damage, and physical damage from temperature and atomic oxygen exposure is evident as depoling, loss of orientation and surface erosion. The effects of combined vacuum UV radiation and atomic oxygen resulted in expected surface erosion and pitting rates that determine the lifetime of thin films. Interestingly, the piezo responsiveness in the underlying bulk material remained largely unchanged. This study has delivered a comprehensive framework for material properties and degradation sensitivities with variations in individual polymer performances clearly apparent. The results provide guidance for material selection, qualification, optimization strategies, feedback for manufacturing and processing, or alternative materials. Further material qualification should be conducted via experiments under actual space conditions.

  15. Pectin from Opuntia ficus indica: Optimization of microwave-assisted extraction and preliminary characterization.

    Science.gov (United States)

    Lefsih, Khalef; Giacomazza, Daniela; Dahmoune, Farid; Mangione, Maria Rosalia; Bulone, Donatella; San Biagio, Pier Luigi; Passantino, Rosa; Costa, Maria Assunta; Guarrasi, Valeria; Madani, Khodir

    2017-04-15

    Optimization of microwave-assisted extraction (MAE) of water-soluble pectin (WSP) from Opuntia ficus indica cladodes was performed using Response Surface Methodology. The effect of extraction time (X1), microwave power (X2), pH (X3) and solid-to-liquid ratio (X4) on the extraction yield was examined. The optimum conditions of MAE were as follows: X1=2.15min; X2=517W; X3=2.26 and X4=2g/30.6mL. The maximum obtained yield of pectin extraction was 12.57%. Total carbohydrate content of WSP is about 95.5% including 34.4% of Galacturonic acid. Pectin-related proteins represent only the 0.66% of WSP mass. HPSEC and light scattering analyses reveal that WSP is mostly constituted of high molecular pectin and FTIR measurements show that the microwave treatment does not alter the chemical structure of WSP, in which Galacturonic acid content and yield are 34.4% and 4.33%, respectively. Overall, application of MAE can give rise to high quality pectin.

  16. Modeling and Optimization for Scheduling of Chemical Batch Processes%间歇化工过程和模型优化调度

    Institute of Scientific and Technical Information of China (English)

    钱宇; 潘明; 黄亚才

    2009-01-01

    Chemical batch processes have become significant in chemical manufacturing. In these processes, large numbers of chemical products are produced to satisfy human demands in daily life. Recently, economy globalization has resulted in growing worldwide competitions in traditional chemical process industry. In order to keep competitive in the global marketplace, each company must optimize its production management and set up a reactive system for market fluctuation. Scheduling is the core of production management in chemical processes. The goal of this paper is to review the recent developments in this challenging area. Classifications of batch scheduling problems and optimization methods are introduced. A comparison of six typical models is shown in a general benchmark example from the literature. Finally, challenges and applications in future research are discussed.

  17. Chemical characterization and source apportionment of PM2.5 in Beijing: seasonal perspective

    Directory of Open Access Journals (Sweden)

    R. Zhang

    2013-07-01

    Full Text Available In this study, 121 daily PM2.5 (aerosol particle with aerodynamic diameter less than 2.5 μm samples were collected from an urban site in Beijing in four months between April 2009 and January 2010 representing the four seasons. The samples were determined for various compositions, including elements, ions, and organic/elemental carbon. Various approaches, such as chemical mass balance, positive matrix factorization (PMF, trajectory clustering, and potential source contribution function (PSCF, were employed for characterizing aerosol speciation, identifying likely sources, and apportioning contributions from each likely source. Our results have shown distinctive seasonality for various aerosol speciations associated with PM2.5 in Beijing. Soil dust waxes in the spring and wanes in the summer. Regarding the secondary aerosol components, inorganic and organic species may behave in different manners. The former preferentially forms in the hot and humid summer via photochemical reactions, although their precursor gases, such as SO2 and NOx, are emitted much more in winter. The latter seems to favorably form in the cold and dry winter. Synoptic meteorological and climate conditions can overwhelm the emission pattern in the formation of secondary aerosols. The PMF model identified six main sources: soil dust, coal combustion, biomass burning, traffic and waste incineration emission, industrial pollution, and secondary inorganic aerosol. Each of these sources has an annual mean contribution of 16, 14, 13, 3, 28, and 26%, respectively, to PM2.5. However, the relative contributions of these identified sources significantly vary with changing seasons. The results of trajectory clustering and the PSCF method demonstrated that regional sources could be crucial contributors to PM pollution in Beijing. In conclusion, we have unraveled some complex aspects of the pollution sources and formation processes of PM2.5 in Beijing. To our knowledge, this is the first

  18. Chemical characterization, nano-particle mineralogy and particle size distribution of basalt dust wastes

    Energy Technology Data Exchange (ETDEWEB)

    Dalmora, Adilson C. [Laboratory of Environmental Researches and Nanotechnology Development, Centro Universitário La Salle, Mestrado em Avaliação de Impactos Ambientais em Mineração. Victor Barreto, 2288 Centro 92010-000, Canoas, RS (Brazil); Institute for Environmental Assessment and Water Studies (IDÆA), Spanish National Research Council (CSIC), C/Jordi Girona 18-26, 08034 Barcelona (Spain); Ramos, Claudete G.; Oliveira, Marcos L.S. [Laboratory of Environmental Researches and Nanotechnology Development, Centro Universitário La Salle, Mestrado em Avaliação de Impactos Ambientais em Mineração. Victor Barreto, 2288 Centro 92010-000, Canoas, RS (Brazil); Teixeira, Elba C. [Fundação Estadual de Proteção Ambiental Henrique Luis Roessler, Porto Alegre, RS (Brazil); Kautzmann, Rubens M.; Taffarel, Silvio R. [Laboratory of Environmental Researches and Nanotechnology Development, Centro Universitário La Salle, Mestrado em Avaliação de Impactos Ambientais em Mineração. Victor Barreto, 2288 Centro 92010-000, Canoas, RS (Brazil); Brum, Irineu A.S. de [Universidade Federal do Rio Grande do Sul, Escola de Engenharia, Departamento de Metalurgia, Centro de Tecnologia, Av. Bento Gonçalves, 9500. Bairro Agronomia. CEP: 91501-970 Porto Alegre, RS (Brazil); and others

    2016-01-01

    Understanding the geochemistry of basalt alteration is central to the study of agriculture systems. Various nano-minerals play an important role in the mobilization of contaminants and their subsequent uptake by plants. We present a new analytical experimental approach in combination with an integrated analytical protocol designed to study basalt alteration processes. Recently, throughout the world, ultra-fine and nano-particles derived from basalt dust wastes (BDW) during “stonemeal” soil fertilizer application have been of great concern for their possible adverse effects on human health and environmental pollution. Samples of BDW utilized were obtained from companies in the Nova Prata mining district in southern Brazil for chemical characterization and nano-mineralogy investigation, using an integrated application of advanced characterization techniques such as X-ray diffraction (XRD), High Resolution-Transmission Electron microscopy (HR-TEM)/Energy Dispersive Spectroscopy (EDS)/(selected-area diffraction pattern) SAED, Field Emission-Scanning Electron Microscopy (FE-SEM/EDS), and granulometric distribution analysis. The investigation has revealed that BDW materials are dominated by SiO{sub 2}, Al{sub 2}O{sub 3}, and Fe{sub 2}O{sub 3,} with a complex micromineralogy including alkali feldspar, augite, barite, labradorite, hematite, heulandrite, gypsum, kaolinite, quartz, and smectite. In addition, we have identified a number of trace metals such as Cd, Cu, Cr, and Zn, that are preferentially concentrated into the finer, inhalable, dust fraction and, thus, could present a health hazard in the urban areas around the basalt mining zone. The implication of this observation is that use of these nanometric-sized particulates as soil fertilizer may present different health challenges to those of conventional fertilizers, inviting future work regarding the relative toxicities of these materials. Our investigation on the particle size distribution, nano

  19. Comprehensive chemical characterization of industrial PM2.5 from steel industry activities

    Science.gov (United States)

    Sylvestre, Alexandre; Mizzi, Aurélie; Mathiot, Sébastien; Masson, Fanny; Jaffrezo, Jean L.; Dron, Julien; Mesbah, Boualem; Wortham, Henri; Marchand, Nicolas

    2017-03-01

    Industrial sources are among the least documented PM (Particulate Matter) source in terms of chemical composition, which limits our understanding of their effective impact on ambient PM concentrations. We report 4 chemical emission profiles of PM2.5 for multiple activities located in a vast metallurgical complex. Emissions profiles were calculated as the difference of species concentrations between an upwind and a downwind site normalized by the absolute PM2.5 enrichment between both sites. We characterized the PM2.5 emissions profiles of the industrial activities related to the cast iron (complex 1) and the iron ore conversion processes (complex 2), as well as 2 storage areas: a blast furnace slag area (complex 3) and an ore terminal (complex 4). PM2.5 major fractions (Organic Carbon (OC) and Elemental Carbon (EC), major ions), organic markers as well as metals/trace elements are reported for the 4 industrial complexes. Among the trace elements, iron is the most emitted for the complex 1 (146.0 mg g-1 of PM2.5), the complex 2 (70.07 mg g-1) and the complex 3 (124.4 mg g-1) followed by Al, Mn and Zn. A strong emission of Polycyclic Aromatic Hydrocarbons (PAH), representing 1.3% of the Organic Matter (OM), is observed for the iron ore transformation complex (complex 2) which merges the activities of coke and iron sinter production and the blast furnace processes. In addition to unsubstituted PAHs, sulfur containing PAHs (SPAHs) are also significantly emitted (between 0.011 and 0.068 mg g-1) by the complex 2 and could become very useful organic markers of steel industry activities. For the complexes 1 and 2 (cast iron and iron ore converters), a strong fraction of sulfate ranging from 0.284 to 0.336 g g-1) and only partially neutralized by ammonium, is observed indicating that sulfates, if not directly emitted by the industrial activity, are formed very quickly in the plume. Emission from complex 4 (Ore terminal) are characterized by high contribution of Al (125.7 mg

  20. Chemical characterization, nano-particle mineralogy and particle size distribution of basalt dust wastes.

    Science.gov (United States)

    Dalmora, Adilson C; Ramos, Claudete G; Oliveira, Marcos L S; Teixeira, Elba C; Kautzmann, Rubens M; Taffarel, Silvio R; de Brum, Irineu A S; Silva, Luis F O

    2016-01-01

    Understanding the geochemistry of basalt alteration is central to the study of agriculture systems. Various nano-minerals play an important role in the mobilization of contaminants and their subsequent uptake by plants. We present a new analytical experimental approach in combination with an integrated analytical protocol designed to study basalt alteration processes. Recently, throughout the world, ultra-fine and nano-particles derived from basalt dust wastes (BDW) during "stonemeal" soil fertilizer application have been of great concern for their possible adverse effects on human health and environmental pollution. Samples of BDW utilized were obtained from companies in the Nova Prata mining district in southern Brazil for chemical characterization and nano-mineralogy investigation, using an integrated application of advanced characterization techniques such as X-ray diffraction (XRD), High Resolution-Transmission Electron microscopy (HR-TEM)/Energy Dispersive Spectroscopy (EDS)/(selected-area diffraction pattern) SAED, Field Emission-Scanning Electron Microscopy (FE-SEM/EDS), and granulometric distribution analysis. The investigation has revealed that BDW materials are dominated by SiO2, Al2O3, and Fe2O3, with a complex micromineralogy including alkali feldspar, augite, barite, labradorite, hematite, heulandrite, gypsum, kaolinite, quartz, and smectite. In addition, we have identified a number of trace metals such as Cd, Cu, Cr, and Zn, that are preferentially concentrated into the finer, inhalable, dust fraction and, thus, could present a health hazard in the urban areas around the basalt mining zone. The implication of this observation is that use of these nanometric-sized particulates as soil fertilizer may present different health challenges to those of conventional fertilizers, inviting future work regarding the relative toxicities of these materials. Our investigation on the particle size distribution, nano-particle mineralogy and chemical composition in

  1. Chemical characterization and source apportionment of PM2.5 in Beijing: seasonal perspective

    Directory of Open Access Journals (Sweden)

    R. Zhang

    2013-04-01

    Full Text Available In this study, 121 daily PM2.5 (aerosol particle with aerodynamic diameter less than 2.5 μm samples were collected from an urban site in Beijing in four months between April 2009 and January 2010 representing the four seasons. The samples were determined for various compositions, including elements, ions, and organic/elemental carbon. Various approaches, such as chemical mass balance, positive matrix factorization (PMF, trajectory clustering, and potential source contribution function (PSCF, were employed for characterizing aerosol speciation, identifying likely sources, and apportioning contributions from each likely source. Our results have shown distinctive seasonalities for various aerosol speciations associated with PM2.5 in Beijing. Soil dust waxes in the spring and wanes in the summer. Regarding the secondary aerosol components, inorganic and organic species may behave in different manners. The former preferentially forms in the hot and humid summer via photochemical reactions, although their precursor gases, such as SO2 and NOx, are emitted much more in winter. The latter seems to favorably form in the cold and dry winter. Synoptic meteorological and climate conditions can overwhelm the emission pattern in the formation of secondary aerosols. The PMF model identified six main sources: soil dust, coal combustion, biomass burning, traffic and waste incineration emission, industrial pollution, and secondary inorganic aerosol. Each of these sources has an annual mean contribution of 16, 14, 13, 3, 28, and 26%, respectively, to PM2.5. However, the relative contributions of these identified sources significantly vary with changing seasons. The results of trajectory clustering and the PSCF method demonstrated that regional sources could be crucial contributors to PM pollution in Beijing. In conclusion, we have unraveled some complex aspects of the pollution sources and formation processes of PM2.5 in Beijing. To our knowledge, this study is

  2. Chemical characterization and source apportionment of PM2.5 in Beijing: seasonal perspective

    Science.gov (United States)

    Zhang, R.; Jing, J.; Tao, J.; Hsu, S.-C.; Wang, G.; Cao, J.; Lee, C. S. L.; Zhu, L.; Chen, Z.; Zhao, Y.; Shen, Z.

    2013-07-01

    In this study, 121 daily PM2.5 (aerosol particle with aerodynamic diameter less than 2.5 μm) samples were collected from an urban site in Beijing in four months between April 2009 and January 2010 representing the four seasons. The samples were determined for various compositions, including elements, ions, and organic/elemental carbon. Various approaches, such as chemical mass balance, positive matrix factorization (PMF), trajectory clustering, and potential source contribution function (PSCF), were employed for characterizing aerosol speciation, identifying likely sources, and apportioning contributions from each likely source. Our results have shown distinctive seasonality for various aerosol speciations associated with PM2.5 in Beijing. Soil dust waxes in the spring and wanes in the summer. Regarding the secondary aerosol components, inorganic and organic species may behave in different manners. The former preferentially forms in the hot and humid summer via photochemical reactions, although their precursor gases, such as SO2 and NOx, are emitted much more in winter. The latter seems to favorably form in the cold and dry winter. Synoptic meteorological and climate conditions can overwhelm the emission pattern in the formation of secondary aerosols. The PMF model identified six main sources: soil dust, coal combustion, biomass burning, traffic and waste incineration emission, industrial pollution, and secondary inorganic aerosol. Each of these sources has an annual mean contribution of 16, 14, 13, 3, 28, and 26%, respectively, to PM2.5. However, the relative contributions of these identified sources significantly vary with changing seasons. The results of trajectory clustering and the PSCF method demonstrated that regional sources could be crucial contributors to PM pollution in Beijing. In conclusion, we have unraveled some complex aspects of the pollution sources and formation processes of PM2.5 in Beijing. To our knowledge, this is the first systematic study

  3. Characterization of Cellulase Enzyme Inhibitors Formed During the Chemical Pretreatments of Rice Straw

    Science.gov (United States)

    Rajan, Kalavathy

    mimic pretreatment hydrolyzates. No group has yet attempted to elucidate the inhibitory action of compounds isolated from pretreatment hydrolyzates. Elucidating the inhibition of cellulases using actual biomass hydrolyzates would offer insights as to which inhibitors, formed during a pretreatment, are key in causing inhibition. Knowing the key inhibitor(s) would allow for the development of processing conditions that minimize their production or of their removal through hydrolyzate detoxification methods. This research has characterized various chemical compounds released during dilute acid and hot water pretreatment of rice straw and has evaluated their inhibitory effects on endo-cellulase, exo-cellulase and beta-glucosidase enzymes. The hot water pretreatment hydrolyzate, generated at 220°C and 52 min, was found to be particularly inhibitory to exo- and endo-cellulases, and was chosen for further evaluation. This hot water hydrolyzate was fractionated using centrifugal partition chromatography (CPC) and grouped into furans, organic acids, phenolics, monomeric and oligomeric sugars. When these fractions were incubated with exo-cellulase, it was determined that fractions containing acetic acid and phenolics were highly inhibitory, resulting in 92% and 87% inhibition of initial hydrolysis rates, respectively. This study proposes a new approach for identifying key inhibitory compounds in biomass prehydrolyzates, eventually paving the way for developing strategies to the improve the enzymatic saccharification efficiency of lignocellulosic biomass.

  4. Chemical characterization and infrared spectroscopy of soil organic matter from two southern brazilian soils

    Directory of Open Access Journals (Sweden)

    D. P. Dick

    2003-02-01

    Full Text Available Soil organic matter from the surface horizon of two Brazilian soils (a Latosol and a Chernosol, in bulk samples (in situ SOM and in HF-treated samples (SOM, was characterized by elemental analyses, diffuse reflectance (DRIFT and transmission Fourier transform infrared spectroscopy (T-FTIR. Humic acids (HA, fulvic acids (FA and humin (HU isolated from the SOM were characterized additionally by ultraviolet-visible spectroscopy (UV-VIS. After sample oxidation and alkaline treatment, the DRIFT technique proved to be more informative for the detection of "in situ SOM" and of residual organic matter than T-FTIR. The higher hydrophobicity index (HI and H/C ratio obtained in the Chernosol samples indicate a stronger aliphatic character of the organic matter in this soil than the Latosol. In the latter, a pronounced HI decrease was observed after the removal of humic substances (HS. The weaker aliphatic character, the higher O/C ratio, and the T-FTIR spectrum obtained for the HU fraction in the Latosol suggest the occurrence of surface coordination of carboxylate ions. The Chernosol HU fraction was also oxygenated to a relatively high extent, but presented a stronger hydrophobic character in comparison with the Latosol HU. These differences in the chemical and functional group composition suggest a higher organic matter protection in the Latosol. After the HF treatment, decreases in the FA proportion and the A350/A550 ratio were observed. A possible loss of FA and condensation of organic molecules due to the highly acid medium should not be neglected.

  5. Evaluation of optimization methods for solving the receptor model for chemical mass balance

    Directory of Open Access Journals (Sweden)

    Anu N.

    2015-01-01

    Full Text Available Balance (CMB model has been extensively used in order to determine source contribution for particulate matters (size diameters less than 10 μm and 2.5 μm in the air quality analysis. A comparison of the source contribution estimated from the three CMB models (CMB 8.2, CMB-fmincon and CMB-GA have been carried out through optimization techniques such as ‘fmincon’ (CMB-fmincon and genetic algorithm (CMB-GA using MATLAB. The proposed approach has been validated using San Joaquin Valley Air Quality Study (SJVAQS California Fresno and Bakersfield PM10 and PM2.5 followed with Oregon PM10 data. The source contribution estimated from CMB-GA was better in source interpretation in comparison with CMB8.2 and CMB-fmincon. The performance accuracy of three CMB approaches were validated using R-square, reduced chi-square and percentage mass tests. The R-square (0.90, 0.67 and 0.81, 0.83, Chi-square (0.36, 0.66 and 0.65, 0.43 and percentage mass (67.36 %, 55.03 % and 94.24 %, 74.85 % of CMB-GA showed high correlation for PM10, PM2.5 Fresno and Bakersfield data respectively. To make a complete decision, the proposed methodology has been bench marked with Portland, Oregon PM10 data with best fit with R2 (0.99, Chi-square (1.6 and percentage mass (94.4 % from CMB-GA. Therefore, the study revealed that CMB with genetic algorithm optimization method holds better stability in determining the source contributions.

  6. Optimization of process parameter for synthesis of silicon quantum dots using low pressure chemical vapour deposition

    Indian Academy of Sciences (India)

    Dipika Barbadikar; Rashmi Gautam; Sanjay Sahare; Rajendra Patrikar; Jatin Bhatt

    2013-06-01

    Si quantum dots-based structures are studied recently for performance enhancement in electronic devices. This paper presents an attempt to get high density quantum dots (QDs) by low pressure chemical vapour deposition (LPCVD) on SiO2 substrate. Surface treatment, annealing and rapid thermal processing (RTP) are performed to study their effect on size and density of QDs. The samples are also studied using Fourier transformation infrared spectroscopy (FTIR), atomic force microscopy (AFM), scanning electron microscopy (SEM) and photoluminescence study (PL). The influence of Si–OH bonds formed due to surface treatment on the density of QDs is discussed. Present study also discusses the influence of surface treatment and annealing on QD formation.

  7. Optimization of chemical reactor feed by simulations based on a kinetic approach.

    Science.gov (United States)

    Guinand, Charles; Dabros, Michal; Roduit, Bertrand; Meyer, Thierry; Stoessel, Francis

    2014-10-01

    Chemical incidents are typically caused by loss of control, resulting in runaway reactions or process deviations in different stages of the production. In the case of fed-batch reactors, the problem generally encountered is the accumulation of heat. This is directly related to the temperature of the process, the reaction kinetics and adiabatic temperature rise, which is the maximum temperature attainable in the event of cooling failure. The main possibility to control the heat accumulation is the use of a well-controlled adapted feed. The feed rate can be adjusted by using reaction and reactor dynamic models coupled to Model Predictive Control. Thereby, it is possible to predict the best feed profile respecting the safety constraints.

  8. Production and physico-chemical characterization of biochar from palm kernel shell

    Science.gov (United States)

    Kong, S. H.; Loh, S. K.; Bachmann, Robert T.; Choo, Y. M.; Salimon, J.; Rahim, S. Abdul

    2013-11-01

    As the world's second largest producer and exporter of palm oil, Malaysia's palm oil industry leaves behind huge amounts of biomass waste from its plantation and milling activities such as empty fruit bunch, palm kernel shell (PKS), palm frond and palm trunk. Generally, most of the waste generated is disposed of via open dumping, used as solid fuel in boilers, or used as fertilizers. To enhance the use of the abundant biomass generated by the oil palm industry in Malaysia, conversion of biomass to biochar could be a promising alternative. Biochar has the strength in improving long term soil productivity and capable of sequestering carbon in soils to reduce the emission of carbon dioxide to atmosphere. This research project aims to investigate and optimize the use of PKS for biochar production through slow pyrolysis by using the Biochar Experimenter's Kit (BEK) from All Power Labs, California. PKS was pyrolyzed at 400 °C for an hour. Biochar and the pyrolysis by-products were then collected. The biochar was then selectively characterized for its physicochemical properties such as proximate and ultimate analysis, pH, water holding capacity and BET surface area.

  9. Optimizing and characterizing grating efficiency for a soft X-ray emission spectrometer.

    Science.gov (United States)

    Boots, Mark; Muir, David; Moewes, Alexander

    2013-03-01

    The efficiency of soft X-ray diffraction gratings is studied using measurements and calculations based on the differential method with the S-matrix propagation algorithm. New open-source software is introduced for efficiency modelling that accounts for arbitrary groove profiles, such as those based on atomic force microscopy (AFM) measurements; the software also exploits multi-core processors and high-performance computing resources for faster calculations. Insights from these calculations, including a new principle of optimal incidence angle, are used to design a soft X-ray emission spectrometer with high efficiency and high resolution for the REIXS beamline at the Canadian Light Source: a theoretical grating efficiency above 10% and resolving power E/ΔE > 2500 over the energy range from 100 eV to 1000 eV are achieved. The design also exploits an efficiency peak in the third diffraction order to provide a high-resolution mode offering E/ΔE > 14000 at 280 eV, and E/ΔE > 10000 at 710 eV, with theoretical grating efficiencies from 2% to 5%. The manufactured gratings are characterized using AFM measurements of the grooves and diffractometer measurements of the efficiency as a function of wavelength. The measured and theoretical efficiency spectra are compared, and the discrepancies are explained by accounting for real-world effects: groove geometry errors, oxidation and surface roughness. A curve-fitting process is used to invert the calculations to predict grating parameters that match the calculated and measured efficiency spectra; the predicted blaze angles are found to agree closely with the AFM estimates, and a method of characterizing grating parameters that are difficult or impossible to measure directly is suggested.

  10. Novel Control Vector Parameterization Method with Differential Evolution Algorithm and Its Application in Dynamic Optimization of Chemical Processes

    Institute of Scientific and Technical Information of China (English)

    SUN Fan; ZHONG Weimin; CHENG Hui; QIAN Feng

    2013-01-01

    Two general approaches are adopted in solving dynamic optimization problems in chemical processes,namely,the analytical and numerical methods.The numerical method,which is based on heuristic algorithms,has been widely used.An approach that combines differential evolution (DE) algorithm and control vector parameterization (CVP) is proposed in this paper.In the proposed CVP,control variables are approximated with polynomials based on state variables and time in the entire time interval.Region reduction strategy is used in DE to reduce the width of the search region,which improves the computing efficiency.The results of the case studies demonstrate the feasibility and efficiency of the proposed methods.

  11. Chemical Characterization of the Aerosol During the CLAMS Experiment Using Aircraft and Ground Stations

    Science.gov (United States)

    Castanho, A. D.; Martins, J.; Artaxo, P.; Hobbs, P. V.; Remer, L.; Yamasoe, M.; Fattori, A.

    2002-05-01

    During the Chesapeake Lighthouse and Aircraft Measurements for Satellites (CLAMS) Experiment Nuclepore filters were collected in two ground stations and aboard the University of Wasghington's Convair 580 Reserarch Aircraft. The two ground stations were chosen in strategic positions to characterize the chemical composition, the mass concentration, black carbon (BC) content, and the absorption properties of the aerosol particles at the surface level. One of the stations was located at the Cheasapeake lighthouse (25 km from the coast) and the other one was located at the Wallops Island. Aerosol particles where collected in two stages, fine (d2.5um) and coarse mode (2.5characterize the elemental composition, mass concentration, BC content, and absorption properties of the aerosol in the atmospheric column in the CLAMS Experiment area. Some of the filters were also submitted to Scanning Electron Microscopy analysis. The particulate matter mass for all the samples were obtained gravimetrically. The concentration of black carbon in the fine filters was optically determined by a broadband reflectance technique. The spectral (from UV to near IR) reflectance in the fine and coarse mode filter were also obtained with a FieldSpec ASD spectrometer. Aerosol elemental characterization (Na through Pb) was obtained by the PIXE (Particle induced X ray emission) analyses of the nuclepore filters. The sources of the aerosol measured at the ground stations were estimated by principal component analyses mainly in the Wallops Island, where a longer time series was collected. One of the main urban components identified in the aerosol during the experiment was sulfate. Black carbon

  12. Characterization and application of PBA fiber optic chemical film sensor based on fluorescence multiple quenching

    Institute of Scientific and Technical Information of China (English)

    陈坚; 李伟; 阎超; 袁立懋; 郭炬亮; 周新继

    1997-01-01

    The three types of structure of the pyrenebutyric acid of fiber optic chemical film sensor were stud-ied by fluorescence multiple quenching. They are, for different test samples and purposes, respectively general, three-way and combined. A tri-cup method was designed to demonstrate the multiple quenching of response mechanism, and a relationship formula of mathematical approach was established. The response mechanism was shown to include the dynamic quenching , inner-filter effects and/or resonance energy transfer. To show the response characterization in a series of organic and inorganic quenchers, a new concept of apparent quenching coefficient Kq was advanced. This kind of sensor has been used in continuous and in situ monitoring of the dissolution rate of drug tablets, on line and in situ monitoring of some organic therapeutic drugs in biological fluid and Cr( VI ) in industrial waste water. The measured data were examined and compared with HPLC or HPTLCS. Test results show that the sensors and appa

  13. Chemical vapor transport and characterization of MnBi2Se4

    Science.gov (United States)

    Nowka, Christian; Gellesch, Markus; Enrique Hamann Borrero, Jorge; Partzsch, Sven; Wuttke, Christoph; Steckel, Frank; Hess, Christian; Wolter, Anja U. B.; Teresa Corredor Bohorquez, Laura; Büchner, Bernd; Hampel, Silke

    2017-02-01

    Layered metal chalcogenides such as MnBi2Se4 are interesting candidates for a wide field of applications such as for thermo- and photoelectrics. High-quality single crystals are necessary in order to investigate their properties which can be prepared by chemical vapor transport (CVT). The CVT of MnBi2Se4 has not been investigated until this point and is subject of the presented paper. We obtained needle-like MnBi2Se4 single crystals with a length up to 15 mm. The magnetic characterization has shown an antiferromagnetic transition around 14 K. Additionally, electrical transport described MnBi2Se4 as a narrow band-gap semiconductor (EGap=0.15 eV). Thermodynamic data for MnBi2Se4 at room temperature were determined to H ° = - 305 KJ ·mol-1 , S=321 J K-1·mol-1 and Cp = 167.568 + 25.979 ·10-3 · TJ ·K-1 ·mol-1 , respectively. Our results on CVT-grown single crystals confirm reported data from literature and complete the data set for MnBi2Se4.

  14. Copper Nanoparticles Mediated by Chitosan: Synthesis and Characterization via Chemical Methods

    Directory of Open Access Journals (Sweden)

    Muhammad Sani Usman

    2012-12-01

    Full Text Available Herein we report a synthesis of copper nanoparticles (Cu-NPs in chitosan (Cts media via a chemical reaction method. The nanoparticles were synthesized in an aqueous solution in the presence of Cts as stabilizer and CuSO4·5H2O precursor. The synthesis proceeded with addition of NaOH as pH moderator, ascorbic acid as antioxidant and hydrazine as the reducing agent. The characterization of the prepared NPs was done using ultraviolet-visible spectroscopy, which showed a 593 nm copper band. The Field Emission Scanning Electron Microscope (FESEM images were also observed, and found to be in agreement with the UV-Vis result, confirming the formation of metallic Cu-NPs. The mean size of the Cu-NPs was estimated to be in the range of 35–75 nm using X-ray diffraction. XRD was also used in analysis of the crystal structure of the NPs. The interaction between the chitosan and the synthesized NPs was studied using Fourier transform infrared (FT-IR spectroscopy, which showed the capping of the NPs by Cts.

  15. Characterization of citrate capped gold nanoparticle-quercetin complex: Experimental and quantum chemical approach

    Science.gov (United States)

    Pal, Rajat; Panigrahi, Swati; Bhattacharyya, Dhananjay; Chakraborti, Abhay Sankar

    2013-08-01

    Quercetin and several other bioflavonoids possess antioxidant property. These biomolecules can reduce the diabetic complications, but metabolize very easily in the body. Nanoparticle-mediated delivery of a flavonoid may further increase its efficacy. Gold nanoparticle is used by different groups as vehicle for drug delivery, as it is least toxic to human body. Prior to search for the enhanced efficacy, the gold nanoparticle-flavonoid complex should be prepared and well characterized. In this article, we report the interaction of gold nanoparticle with quercetin. The interaction is confirmed by different biophysical techniques, such as Scanning Electron Microscope (SEM), Circular Dichroism (CD), Fourier-Transform InfraRed (FT-IR) spectroscopy and Thermal Gravimetric Analysis (TGA) and cross checked by quantum chemical calculations. These studies indicate that gold clusters are covered by citrate groups, which are hydrogen bonded to the quercetin molecules in the complex. We have also provided evidences how capping is important in stabilizing the gold nanoparticle and further enhances its interaction with other molecules, such as drugs. Our finding also suggests that gold nanoparticle-quercetin complex can pass through the membranes of human red blood cells.

  16. Physico-chemical and structural characterization of mucilage isolated from seeds of Diospyros melonoxylon Roxb.

    Directory of Open Access Journals (Sweden)

    Sudarshan Singh

    2014-12-01

    Full Text Available Mucilage was isolated from the seeds of Diospyros melonoxylonRoxb., a plant growing naturally in the forests of India. Various physico-chemical methods like particle analysis, scanning electron microscopy, differential scanning calorimetry, differential thermal analysis, thermogravimetry analysis, molecular weight by gel permeation chromatography, rheometry, elemental analysis, x-ray diffraction spectrometry, zeta potential, fourier transform infrared spectroscopy, 1D(1H and 13C (NMR have been employed to characterize this gum in the present study. Particle analyses suggest that mucilage had particle size in nanometer. SEM analysis suggested that the mucilage had irregular particle size. The glass transition temperature of the gum observed was 78 °C and 74 °C by DSC and DTA respectively. The Thermogravimetry analysis suggested that mucilage had good thermal stability with two stage decomposition. The molecular weight of mucilage was determined to be 8760, by gel permeation chromatography, while the viscosity of mucilage was observed to be 219.1 cP. The XRD pattern of the mucilage indicated a complete amorphous nature. Elemental analysis of the gum revealed specific contents of carbon, hydrogen, nitrogen and sulfur. The major functional groups identified from FT-IR spectrum include 3441 cm-1 (-OH, 1632 cm-1 (-COO-, 1414 cm-1 (-COO- and 1219 cm-1 (-CH3CO. Analysis of mucilage by paper chromatography and 1D NMR indicated the presence of sugars.

  17. New Inorganic-organic Hybrid Tetravanadate:Preparation, Characterization and Application in Chemically Modified Electrode

    Institute of Scientific and Technical Information of China (English)

    SUN Ying-hua; LI Xiao-ping; MEI Ze-min; ZHU Yu; NIU Li

    2011-01-01

    A new inorganic-organic hybrid tetravanadate [Co(2,2'-bpy)3]2V4O12.llH2O(l) has been prepared and characterized. X-Ray diffraction study reveals that compound 1 contains classical cluster anions [V4O12]4-, coordi nated cations [Co(2,2'-bpy)3]2+ and eleven water molecules, in which an interesting decamer water cluster is formed.The hybrid nanoparticles were firstly used as a bulk-modifier to fabricate a chemically modified paste electrode (1-CPE). The electrochemical behavior and electrocatalysis of 1-CPE have been studied in detail. The results indicate that 1-CPE has a good electrocatalytic activity toward the reduction of bromate in a 0.5 mol/L H2SO4 aqueous solu tion. I-CPE shows remarkable stability that be ascribed to the hydrogen bonding interactions between V4O12 cluster and water cluster, which are very important for practical application in electrode modification.

  18. Chemical vapor deposition fabrication and characterization of silica-coated carbon fiber ultramicroelectrodes.

    Science.gov (United States)

    Zhao, G; Giolando, D M; Kirchhoff, J R

    1995-08-01

    Carbon fiber disk ultramicroelectrodes (UMEs) with well-defined geometries were prepared by chemical vapor deposition techniques. Transparent silica films with thicknesses from 1 to 600 microns were deposited on the cylindrical length of 5 and 10 microns carbon fibers from a SiCl4, H2, and O2 ternary precursor system at 850-1150 degrees C or sequential deposition from Si(OEt)4 as a single source precursor at 700 degrees C followed by the SiCl4, H2, and O2 precursor system. Film thickness, film adhesion to the fiber substrate, and the overall dimensions of the silica-coated carbon fiber were studied and found to be a function of the precursor system, precursor concentrations, fiber diameter, deposition time, and fiber temperature. The silica films were found to be free of microcracks and characterized by a quality seal between the carbon fiber and the coating. As a result, the silica-coated disk UME exhibits an excellent electrochemical response without the need to use an epoxy sealant at the electrode tip. Furthermore, the deposition of hard and inert ceramic materials imparts durability to fragile carbon fibers and facilitates the handling of UMEs in microenvironments. Finally, the advantage of concentric deposition about the fibers to produce a disk UME in the center of an insulating plane was used to examine the effect of the thickness of the insulating coating on the limiting current response.

  19. Development, chemical and sensory characterization of semi skim yogurt added with whey protein concentrate

    Directory of Open Access Journals (Sweden)

    Andressa Regina Antunes

    2015-04-01

    Full Text Available The aim of this work was to develop, to perform the chemical characterization and verify the acceptability of a semi skim yogurt added with whey protein concentrate (WPC 35 %, and compare it to traditional yogurt, without adding any protein source. For this, two formulations were prepared: 1- traditional semi skim and 2: semi skim added with WPC 35 %, with subsequent evaluation of physicochemical characteristics of acidity, pH and viscosity, as well as the compositional analysis of the levels of humidity, full solids, ash, protein, fat and carbohydrates for both formulations. The sensory analysis was performed with 80 untrained tasters, which was based on parameters of appearance, taste, flavor and consistency. The appearance and consistency parameters showed a significant difference between received grades, and the yogurt added with WPC 35 % the most preferred these aspects, as well as the formulation with the highest widespread acceptance among testers. The results indicate that the use of WPC 35 % in foods is a promising alternative, considering the overall acceptance obtained, the protein content beneficial to the consumers health, the improvement of technological properties provided to food coupled to the extent which it is produced, low cost and reducing the damage caused to the environment. 

  20. Effect of the Titanium Nanoparticle on the Quantum Chemical Characterization of the Liquid Sodium Nanofluid.

    Science.gov (United States)

    Suzuki, Ai; Bonnaud, Patrick; Williams, Mark C; Selvam, Parasuraman; Aoki, Nobutoshi; Miyano, Masayuki; Miyamoto, Akira; Saito, Jun-ichi; Ara, Kuniaki

    2016-04-14

    Suspension state of a titanium nanoparticle in the liquid sodium was quantum chemically characterized by comparing physical characteristics, viz., electronic state, viscosity, and surface tension, with those of liquid sodium. The exterior titanium atoms on the topmost facet of the nanoparticle were found to constitute a stable Na-Ti layer, and the Brownian motion of a titanium nanoparticle could be seen in tandem with the surrounding sodium atoms. An electrochemical gradient due to the differences in electronegativity of both titanium and sodium causes electron flow from liquid sodium atoms to a titanium nanoparticle, Ti + Na → Ti(δ-) + Na(δ+), making the exothermic reaction possible. In other words, the titanium nanoparticle takes a role as electron-reservoir by withdrawing free electrons from sodium atoms and makes liquid sodium electropositive. The remaining electrons in the liquid sodium still make Na-Na bonds and become more stabilized. With increasing size of the titanium nanoparticle, the deeper electrostatic potential, the steeper electric field, and the larger Debye atmosphere are created in the electric double layer shell. Owing to electropositive sodium-to-sodium electrostatic repulsion between the external shells, naked titanium nanoparticles cannot approach each other, thus preventing the agglomeration.

  1. Rock inhabiting potassium solubilizing bacteria from Kerala, India: characterization and possibility in chemical K fertilizer substitution.

    Science.gov (United States)

    Anjanadevi, Indira Parameswaran; John, Neetha Soma; John, Kuzhivilayil Susan; Jeeva, Muthulekshmi Lajapathy; Misra, Raj Shekhar

    2016-01-01

    The role of rock inhabiting bacteria in potassium (K) solubilization from feldspar and their application in crop nutrition through substitution of fertilizer K was explored through the isolation of 36 different bacteria from rocks of a major hill station at Ponmudi in Thiruvananthapuram, Kerala, India. A comprehensive characterization of K solubilization from feldspar was achieved with these isolates which indicated that the K solubilizing efficiency increases with decrease in pH and increase in viscosity and viable cell count. Based on the level of K solubilization, two potent isolates were selected and identified as Bacillus subtilis ANctcri3 and Bacillus megaterium ANctcri7. Exopolysaccharide production, scanning electron microscopic and fourier transform infrared spectroscopic studies with these efficient strains conclusively depicted the role of low pH, increase in viscosity, and bacterial attachment in K solubilization. They were also found to be efficient in phosphorus (P) solubilization, indole acetic acid production as well as tolerant to wide range of physiological conditions. Moreover, the applicability of K containing rock powder as a carrier for K solubilizing bacteria was demonstrated. A field level evaluation on the yield of a high K demanding tuberous vegetable crop, elephant foot yam (Amorphophallus paeoniifolius (dennst.) nicolson) established the possibility of substituting chemical K fertilizer with these biofertilizer candidates successfully.

  2. Preliminary studies on the chemical characterization and antioxidant properties of acidic polysaccharides from Sargassum fusiforme

    Institute of Scientific and Technical Information of China (English)

    Jing ZHOU; Nan HU; Ya-lin WU; Yuan-jiang PAN; Cui-rong SUN

    2008-01-01

    In order to investigate the antioxidant properties of the polysaccharides from the brown alga Sargassum fusiforme, the crude polysaccharides from S.fusiforme (SFPS) were extracted in hot water, and the lipid peroxidation inhibition assay exhibited that SFPS possessed a potential antioxidant activity. Hence, two purely polymeric fractions, SFPS-1 and SFPS-2 were isolated by the column of DEAE (2-diethylaminoethanol)-Sepharose Fast Flow, with their molecular weights of 51.4 and 30.3 kDa determined by high performance gel permeation chromatography (HPGPC). They were preliminarily characterized using chemical analysis in combination of infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies and found to contain large amounts of uronic acids and β-glycosidical linkages. The antioxidant activities of these two SFPS fractions were evaluated using superoxide and hydroxyl radical-scavenging assays. The results show that the antioxidant ability of SFPS-2 was higher than that of SFPS-1, probably correlating with the molecular weight and uronic acid content.

  3. The double sub-giant branch of NGC 6656 (M22): a chemical characterization

    CERN Document Server

    Marino, A F; Sneden, C; Bergemann, M; Kraft, R P; Wallerstein, G; Cassisi, S; Aparicio, A; Asplund, M; Bedin, R L; Hilker, M; Lind, K; Momany, Y; Piotto, G; Roederer, I U; Stetson, P B; Zoccali, M

    2012-01-01

    We present an abundance analysis of 101 subgiant branch (SGB) stars in the globular cluster M22. Using low resolution FLAMES/GIRAFFE spectra we have determined abundances of the neutron-capture strontium and barium and the light element carbon. With these data we explore relationships between the observed SGB photometric split in this cluster and two stellar groups characterized by different contents of iron, slow neutron-capture process (s-process) elements, and the alpha element calcium, that we previously discovered in M22’s red-giant stars. We show that the SGB stars correlate in chemical composition and color-magnitude diagram position: the stars with higher metallicity and relative s-process abundances define a fainter SGB, while stars with lower metallicity and s-process content reside on a relatively brighter SGB. This result has implications for the relative ages of the two stellar groups of M22. In particular, it is inconsistent with a large spread in ages of the two SGBs. By accounting for the...

  4. Chemical characterization of Lippia alba essential oil: an alternative to control green molds

    Directory of Open Access Journals (Sweden)

    Jasmina Glamočlija

    2011-12-01

    Full Text Available The essential oil of Lippia alba is reported as an antifungal against human pathogenic microorganisms but few articles report its use as an alternative to synthetic fungicides on green mould control. The objective of this study was to determine chemical characteristics of L. alba essential oil and its antifungal activity against green molds as an alternative to synthetic fungicides. Essential oil was extracted by Clevenger hydrodistillation, characterized by GC-MS analysis, and the structure of the main compounds confirmed by ¹H and 13C-NMR spectroscopy. Microdilution assays evaluated the essential oil minimum inhibitory concentration (MIC and minimum fungicidal concentration (MFC. Commercial fungicides Ketoconazole and Bifonazole were used as control. Essential oil yield is of 0.15% and the major components are neral (33.32% and geranial (50.94%. The L. alba essential oil has MIC of 0.300-1.250 mg/mL and MFC of 0.600-1.250 mg/mL. Ketoconazole and Bifonazole show MIC ranging from 0.025-0.500 to 0.100-0.200 mg/mL, and MFC ranging from 0.250-0.100 to 0.200-0.250 mg/mL, respectively. L. alba essential oil is classified as citral type and the results indicate that it is a potential alternative to synthetic fungicides.

  5. Physico-chemical and radioactive characterization of TiO2 undissolved mud for its valorization.

    Science.gov (United States)

    Gázquez, M J; Mantero, J; Bolívar, J P; García-Tenorio, R; Vaca, F; Lozano, R L

    2011-07-15

    In order to find a potential valorization of a waste generated in the industrial process devoted to the production of TiO(2) pigments, and as an essential and basic step, this waste must firstly be physically and chemically characterized. Moreover, the content of radioactivity is taken in to account due to it comes from a NORM (Naturally Occurring Radioactive Material) industry. With this end, microscopic studies were performed by applying scanning electron microscopy with X-ray microanalysis (SEM-XRMA), while the mineralogical compositions were carried out by means of the X-ray diffraction (XRD) technique. The concentrations of its major elements were determined by X-ray fluorescence (XRF), while heavy metals and other trace elements were ascertained through Inductively Coupled Plasma Mass Spectrometry (ICP-MS). The results obtained for this waste have revealed several lines of research into potential applications. Firstly, with the refractory properties of mineral phases observed leading to a possible use in the ceramics industry or in thermal isolators. And secondly, attending to the characteristic particle-size spectra can be used as an additive in the manufacture of cement and finally, its high concentration of titanium may be used as a bactericide in brick production.

  6. Preparation and characterization of boron nitride coatings on carbon fibers from borazine by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Li Junsheng, E-mail: charlesljs@163.com [State Key Laboratory of Advanced Ceramic Fibers and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha, 410073 (China); Zhang Changrui; Li Bin [State Key Laboratory of Advanced Ceramic Fibers and Composites, College of Aerospace and Materials Engineering, National University of Defense Technology, Changsha, 410073 (China)

    2011-06-15

    Boron nitride (BN) coatings were deposited on carbon fibers by chemical vapor deposition (CVD) using borazine as single source precursor. The deposited coatings were characterized by scanning electron microscopy (SEM), Auger electron spectroscopy (AES), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy. The effect of temperatures on growth kinetics, morphology, composition and structure of the coatings was investigated. In the low temperature range of 900 deg. C-1000 deg. C, the growth rate increased with increasing temperature complying with Arrhenius law, and an apparent active energy of 72 kJ/mol was calculated. The coating surface was smooth and compact, and the coatings uniformly deposited on individual fibers of carbon fiber bundles. The growth was controlled by surface reaction. At 1000 deg. C, the deposition rate reached a maximum (2.5 {mu}m/h). At the same time, the limiting step of the growth translated to be mass-transportation. Above 1100 deg. C, the growth rate decreased drastically due to the occurrence of gas-phase nucleation. Moreover, the coating surface became loose and rough. Composition and structure examinations revealed that stoichiometric BN coatings with turbostratic structure were obtained below 1000 deg. C, while hexagonal BN coatings were deposited above 1100 deg. C. A penetration of carbon element from the fibers to the coatings was observed.

  7. Chemical Changes of Raw Materials and Manufactured Binderless Boards during Hot Pressing: Lignin Isolation and Characterization

    Directory of Open Access Journals (Sweden)

    Yong-Chang Sun

    2014-01-01

    Full Text Available Thermomechanical pulp (TMP is used for fiber production in binderless boards industries. Milled wood lignin (MWL and enzymatic mild acidolysis lignin (EMAL isolated from raw material and from binderless boards (BB were comparatively analyzed to investigate the effects of chemical changes on the bonding performance in BB. The results showed that acid-insoluble lignin of the BB were increased during the sodium silicate solution pretreatment after hot-pressing. The lignin fractions obtained were characterized by gel permeation chromatography (GPC, Fourier transform infrared (FT-IR spectroscopy, and 1H-13C correlation heteronuclear single-quantum coherence (HSQC nuclear magnetic resonance (NMR spectroscopy. Results showed that 31.1% of EMAL (based on Klason lignin with low molecular weight (Mw=1630 g/mol was isolated from the BB. The increased total phenolic OH groups (3.97 mmol/g of EMAL from sodium silicate solution pretreated BB indicated that there was degradation of lignin and cleavage of lignin-carbohydrate linkages during hot-pressing. In addition, the content of β-O-4' aryl ether linkages of EMAL from the BB increased to 69.2%, which was higher than that of the untreated sample (60.1%. It was found that S units (syringyl-like lignin structures were preferentially condensed by hot pressing over G (guaiacyl-like lignin structures units, and the S/G ratio increased after the hot-pressing process.

  8. Synthesis and Characterization of Cadmium Sulfide Nanoparticles by Chemical Precipitation Method.

    Science.gov (United States)

    Devi, R Aruna; Latha, M; Velumani, S; Oza, Goldie; Reyes-Figueroa, P; Rohini, M; Becerril-Juarez, I G; Lee, Jae-Hyeong; Yi, Junsin

    2015-11-01

    Cadmium sulfide (CdS) nanoparticles were synthesized by chemical precipitation method using cadmium chloride (CdCl2), sodium sulfide (Na2S) and water as a solvent by varying temperatures from 20-80 degrees C. The nanoparticles were characterized by X-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FE-SEM), energy dispersive spectroscopy (EDS), High-resolution transmission electron microscopy (HR-TEM) and UV-Visible spectroscopy. XRD pattern revealed cubic crystal structure for all the synthesized CdS nanoparticles. Raman spectra showed first and second order longitudinal optical (LO) phonon vibrational modes of CdS. The size of CdS nanoparticles was found to be in the range of 15-80 nm by FE-SEM analysis, in all cases. The atomic percentage of cadmium and sulfur was confirmed to be 1:1 from EDS analysis. TEM micrograph depicts the spherical shape of the particles and the size is in the range of 15-85 nm while HR-TEM images of CdS nanoparticles exhibit well-resolved lattice fringes of the cubic structure of CdS. The optical properties of CdS were examined by UV-Visible spectroscopy which showed variation in absorption band from 460-480 nm. The band gap was calculated from the absorption edge and found to be in the range of 3.2-3.5 eV which is greater than the bulk CdS.

  9. Physico-chemical characterization and biological evaluation of two fibroin materials.

    Science.gov (United States)

    Motta, Antonella; Segnana, Paola; Verin, Lucia; La Monica, Silvia; Fumarola, Claudia; Bucci, Giovanna; Gussago, Francesca; Cantoni, Anna Maria; Ampollini, Luca; Migliaresi, Claudio

    2014-11-01

    Silk fibroin fibres from two different sources, Bombyx mori pure-breed silkworms and polyhybrid cross-bred silkworm cocoons, were treated with formic acid under planar stirring conditions to prepare non-woven nets. The treatment partially dissolved the fibres, which bound together and formed a non-woven micrometric net with fibres coated by a thin layer of low molecular weight fibroin matrix. The starting fibres, net materials and fibroin coating layer were characterized in terms of amino acid composition, molecular weight and calorimetric properties. In vitro cell culture tests with rat fibroblasts were performed to investigate cell proliferation, morphology and spreading. Moreover, host-rat fibroblasts were preseeded on the afore-mentioned nets and implanted in the thorax of rats for histological analysis. In spite of the chemical differences between the two starting fibroins, the response of the said materials in vitro and in vivo were very similar. These results suggest that the outcome is likely correlated with the modification of the processing technique; that during the formation of the net, a thin gel layer of similar amino acid composition was formed on the fibroin fibres.

  10. Purification and chemical and biological characterizations of seven toxins from the Mexican scorpion, Centruroides suffusus suffusus.

    Science.gov (United States)

    Martin, M F; Garcia y Perez, L G; el Ayeb, M; Kopeyan, C; Bechis, G; Jover, E; Rochat, H

    1987-04-05

    Seven polypeptides highly toxic to mice were isolated from the venom of the scorpion, Centruroides suffusus suffusus (Css), and their chemical and toxic properties were characterized. It was shown that the most active toxins by intracerebroventricular injection are less active when injected subcutaneously. The complete amino acid sequence (66 residues) of toxin II (Css II) has been determined. The C-terminal end is amidated as found for most other scorpion toxins. Css II is a beta-type toxin, previously used to define the binding site for activation of the sodium channel. Using rat brain synaptosomes, we demonstrated that all Css toxins compete with 125I-Css II to bind to site 4 and should be considered as beta-scorpion toxins. Specific binding parameters for Css VI, one of the most active toxins, were determined: KD = 100 pM; capacity in binding sites, 2.2 pmol of toxin/mg of synaptosomal protein. Css VI was shown to inhibit gamma-aminobutyric acid uptake by synaptosomes: K 0.5 = 100 pM, which agrees with its KD. Competition experiments between the seven Css toxins and 125I-Css II for antiserum raised against Css II demonstrated that all these toxins have common antigenic properties.

  11. Octafluorodirhenate(III) Revisited: Solid-State Preparation, Characterization, and Multiconfigurational Quantum Chemical Calculations.

    Science.gov (United States)

    Mariappan Balasekaran, Samundeeswari; Todorova, Tanya K; Pham, Chien Thang; Hartmann, Thomas; Abram, Ulrich; Sattelberger, Alfred P; Poineau, Frederic

    2016-06-01

    A simple method for the high-yield preparation of (NH4)2[Re2F8]·2H2O has been developed that involves the reaction of (n-Bu4N)2[Re2Cl8] with molten ammonium bifluoride (NH4HF2). Using this method, the new salt [NH4]2[Re2F8]·2H2O was prepared in ∼90% yield. The product was characterized in solution by ultraviolet-visible light (UV-vis) and (19)F nuclear magnetic resonance ((19)F NMR) spectroscopies and in the solid-state by elemental analysis, powder X-ray diffraction (XRD), and infrared (IR) spectroscopy. Multiconfigurational CASSCF/CASPT2 quantum chemical calculations were performed to investigate the molecular and electronic structure, as well as the electronic absorption spectrum of the [Re2F8](2-) anion. The metal-metal bonding in the Re2(6+) unit was quantified in terms of effective bond order (EBO) and compared to that of its [Re2Cl8](2-) and [Re2Br8](2-) analogues.

  12. Functionalized tellurols: synthesis, spectroscopic characterization by photoelectron spectroscopy, and quantum chemical study.

    Science.gov (United States)

    Khater, Brahim; Guillemin, Jean-Claude; Bajor, Gábor; Veszprémi, Tamás

    2008-03-03

    Ethene-, cyclopropane-, 3-butene-, and cyclopropanemethanetellurol have been synthesized by reaction of tributyltin hydride with the corresponding ditellurides and characterized by 1H, 13C, and 125Te NMR spectroscopy and high-resolution mass spectrometry. The tellurols of this series, with a gradually increasing distance between the tellurium atom and the unsaturated group, have been studied by photoelectron spectroscopy and quantum chemical calculations. Two stable conformations of ethenetellurol and cyclopropanetellurol, five of allyltellurol, and four of cyclopropanemethanetellurol were found. In the photoelectron spectrum of vinyltellurol, the huge split between the first two bands indicates a direct interaction between the tellurium lone electron pair and the double bond. In the allyl derivative, a hyperconjugation effect was found for the most stable conformers. In contrast to the vinyl compounds, no direct interaction between the lone electron pair of X (X = O, S, Se, and Te) and the three-membered ring could be observed in the cyclopropyl derivatives. A hyperconjugation-like effect, which is independent of the relative orientation of the X-H group, is found to increase from S to Te. Thus, the type and extent of the interaction between the TeH group and an unsaturated or cyclopropyl moiety are clarified while the first comparison of interactions between the nonradioactive unsaturated chalcogen derivatives is performed.

  13. Chemical and electronic characterization of cobalt in Lanthanumperovskites. Effects of Strontium substitution

    Energy Technology Data Exchange (ETDEWEB)

    Hueso, Jose L.; Holgado, Juan P.; Pereniguez, Rosa; Mun, Simon; Salmeron, Miquel; Caballero, Alfonso

    2009-02-06

    Two different cobaltites, LaCoO{sub 3} and La{sub 0.5}Sr{sub 0.5}CoO{sub 3-{delta}}, have been prepared and characterized by means of high energy Co K-edge and low energy O K-edge X-ray absorption spectroscopy (XAS). The partial substitution of La(III) by Sr(II) species induces important changes in the reactivity and electronic state of the perovskite, while little or no changes can be detected in the formal oxidation state of cobalt atoms. The presence of strontium cations induces two main effects in the chemical and electronic behavior of the perovskite. The charge balance with Sr(II) species is reached by the formation of oxygen vacancies throughout the network, which increases the reactivity of the perovskite, now more reducible than the original LaCoO{sub 3} perovskite. O K-edge XAS experiments indicate that the Sr(II) species cause d electrons of cobalt cations to change from low to high spin configuration. Our data allow us to propose that this change in spin multiplicity is induced by the bigger size of Sr(II) cations, which aligns the Co-O-Co atoms, and favors the overlapping of {pi}-symmetry cobalt and oxygen orbitals, reducing the splitting energy of e{sub g} and t{sub 2g} levels.

  14. Synthesis and Characterization of Vanadium Doped Zinc Oxide Thick Film for Chemical Sensor Application

    Directory of Open Access Journals (Sweden)

    Rayees Ahmad Zargar

    2015-01-01

    Full Text Available Zinc oxide and vanadium pentoxide nanoparticles derived by chemical coprecipitation route were used to cast Zn0.96V0.04O thick film by screen printing method. The structural, morphological, optical, and electrical properties of the film were characterized by powder XRD, SEM, Raman, UV-VIS, and DC conductivity techniques. XRD pattern, SEM image, and Raman spectrum of the film confirm the single phase formation of Wurtzite structure with preferential orientation along [101] plane, minor variation in lattice parameters, and vanadium ions substitution at zinc sites. Zn0.96V0.04O pellet has been used for sensing ammonia vapor concentrations in 20–50°C temperature range which exhibits maximum responsiveness and sensitivity at 30°C. The minor variations in resistance are observed with ammonia vapor concentration. The adsorption of ammonia vapors through weak hydrogen bonding and its insertion into lattice by nitrogen lone pairs donation at vacant/defect sites in lattice caused by vanadium doping are considered to explain gas sensing mechanism.

  15. Poly Meta-Aminophenol: Chemical Synthesis, Characterization and Ac Impedance Study

    Directory of Open Access Journals (Sweden)

    Thenmozhi Gopalasamy

    2014-01-01

    Full Text Available The present work is an investigation of AC impedance behaviour of poly(meta-aminophenol. The polymer was prepared by oxidative chemical polymerization of meta-aminophenol in aqueous HCl using ammonium persulfate as an oxidant at 0–3°C. The synthesized polymer was characterized by GPC, Elemental analysis, UV-VIS-NIR, FT-IR, 1H NMR, XRD, SEM, and TGA-DTA. The AC conductivity and dielectric response were measured at a temperature range from 303 to 383 K in the frequency range of 20 Hz to 106 Hz. The AC conductivity data could be described by the relation σacω=AωS, where the parameter “S” and Rb values decrease in the entire range of study and hence follow Correlated Barrier Hopping conduction mechanism. Both dielectric constant and dielectric loss increase with the decrease of frequency exhibiting strong interfacial polarization at low frequency and the dissipation factor also decreases with frequency. Complex electric modulus and dissipation factor exhibit two relaxation peaks, indicating two-phase structure as indicated by a bimodal distribution of relaxation process. The activation energies corresponding to these two relaxation processes were found to be 0.07 and 0.1 eV.

  16. Preparation and chemical characterization of neodymium-doped molybdenum oxide films grown using spray pyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Alfonso, J. E. [Universidad Nacional de Colombia, Departamento de Fisica, Grupo de Ciencia Materiales y Superficies, AA 5997 Bogota DC (Colombia); Moreno, L. C., E-mail: jealfonsoo@unal.edu.co [Universidad Nacional de Colombia, Departamento de Quimica, AA 5997 Bogota DC (Colombia)

    2014-07-01

    We studied the crystalline, morphology, and surface composition of Nd-doped molybdenum oxide films grown on glass slides through spray pyrolysis. After fabrication, the films were subjected to thermal treatment in oxygen for periods ranging from 2 to 20 hours. The films were structurally characterized though X-ray diffraction (XRD), their bulk chemical composition was determined using Energy-Dispersive X-ray analysis (EDX), and their surface composition was determined using X-ray Photoelectron Spectroscopy (XP S). The XRD results show that the films obtained from different dissolution volumes and at substrate temperature of 300 grades C exhibit the characteristics of the oxygen-deficient molybdenum trioxide Mo{sub 9}O{sub 26} phase. The films subjected to different thermal treatments exhibit a mixture of Mo{sub 9}O{sub 26} and Mo{sub 17}O{sub 47} phases. EDX study shows the energy belonging to the L line of Nd. Finally, films doped with Nd and subjected to a thermal treatment of 20 h were analyzed through XP S, showing the binding energies at the crystalline lattice correspond to Nd{sub 2} (MoO{sub 4}){sub 3} and Nd{sub 2}Mo{sub 2}O{sub 7}. (Author)

  17. Chemical characterization of Lippia alba essential oil: an alternative to control green molds.

    Science.gov (United States)

    Glamočlija, Jasmina; Soković, Marina; Tešević, Vele; Linde, Giani Andrea; Colauto, Nelson Barros

    2011-10-01

    The essential oil of Lippia alba is reported as an antifungal against human pathogenic microorganisms but few articles report its use as an alternative to synthetic fungicides on green mould control. The objective of this study was to determine chemical characteristics of L. alba essential oil and its antifungal activity against green molds as an alternative to synthetic fungicides. Essential oil was extracted by Clevenger hydrodistillation, characterized by GC-MS analysis, and the structure of the main compounds confirmed by (1)H and (13)C-NMR spectroscopy. Microdilution assays evaluated the essential oil minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC). Commercial fungicides Ketoconazole and Bifonazole were used as control. Essential oil yield is of 0.15% and the major components are neral (33.32%) and geranial (50.94%). The L. alba essential oil has MIC of 0.300-1.250 mg/mL and MFC of 0.600-1.250 mg/mL. Ketoconazole and Bifonazole show MIC ranging from 0.025-0.500 to 0.100-0.200 mg/mL, and MFC ranging from 0.250-0.100 to 0.200-0.250 mg/mL, respectively. L. alba essential oil is classified as citral type and the results indicate that it is a potential alternative to synthetic fungicides.

  18. Chemical characterization and physico-chemical properties of aerosols at Villum Research Station, Greenland during spring 2015

    Science.gov (United States)

    Glasius, M.; Iversen, L. S.; Svendsen, S. B.; Hansen, A. M. K.; Nielsen, I. E.; Nøjgaard, J. K.; Zhang, H.; Goldstein, A. H.; Skov, H.; Massling, A.; Bilde, M.

    2015-12-01

    The effects of aerosols on the radiation balance and climate are of special concern in Arctic areas, which have experienced warming at twice the rate of the global average. As future scenarios include increased emissions of air pollution, including sulfate aerosols, from ship traffic and oil exploration in the Arctic, there is an urgent need to obtain the fundamental scientific knowledge to accurately assess the consequences of pollutants to environment and climate. In this work, we studied the chemistry of aerosols at the new Villum Research Station (81°36' N, 16°40' W) in north-east Greenland during the "inauguration campaign" in spring 2015. The chemical composition of sub-micrometer Arctic aerosols was investigated using a Soot Particle Time-of-Flight Aerosol Mass Spectrometer (SP-ToF-AMS). Aerosol samples were also collected on filters using both a high-volume sampler and a low-volume sampler equipped with a denuder for organic gases. Chemical analyses of filter samples include determination of inorganic anions and cations using ion-chromatography, and analysis of carboxylic acids and organosulfates of anthropogenic and biogenic origin using ultrahigh-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS). Previous studies found that organosulfates constitute a surprisingly high fraction of organic aerosols during the Arctic Haze period in winter and spring. Investigation of organic molecular tracers provides useful information on aerosol sources and atmospheric processes. The physico-chemical properties of Arctic aerosols are also under investigation. These measurements include particle number size distribution, water activity and surface tension of aerosol samples in order to deduct information on their hygroscopicity and cloud-forming potential. The results of this study are relevant to understanding aerosol sources and processes as well as climate effects in the Arctic, especially during the Arctic haze

  19. Extended Functional Groups (EFG: An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds

    Directory of Open Access Journals (Sweden)

    Elena S. Salmina

    2015-12-01

    Full Text Available The article describes a classification system termed “extended functional groups” (EFG, which are an extension of a set previously used by the CheckMol software, that covers in addition heterocyclic compound classes and periodic table groups. The functional groups are defined as SMARTS patterns and are available as part of the ToxAlerts tool (http://ochem.eu/alerts of the On-line CHEmical database and Modeling (OCHEM environment platform. The article describes the motivation and the main ideas behind this extension and demonstrates that EFG can be efficiently used to develop and interpret structure-activity relationship models.

  20. Characterization of the Transient Response of Coupled Optimization in Multidisciplinary Design

    Directory of Open Access Journals (Sweden)

    Erich Devendorf

    2013-01-01

    Full Text Available Time is an asset of critical importance in a multidisciplinary design process and it is desirable to reduce the amount of time spent designing products and systems. Design is an iterative activity and designers consume a significant portion of the product development process negotiating a mutually acceptable solution. The amount of time necessary to complete a design depends on the number and duration of design iterations. This paper focuses on accurately characterizing the number of iterations required for designers to converge to an equilibrium solution in distributed design processes. In distributed design, systems are decomposed into smaller, coupled design problems where individual designers have control over local design decisions and seek to achieve their own individual objectives. These smaller coupled design optimization problems can be modeled using coupled games and the number of iterations required to reach equilibrium solutions varies based on initial conditions and process architecture. In this paper, we leverage concepts from game theory, classical controls, and discrete systems theory to evaluate and approximate process architectures without carrying out any solution iterations. As a result, we develop an analogy between discrete decisions and a continuous time representation that we analyze using control theoretic techniques.

  1. Characterization and optimization of a novel vaccine for protection against Lyme borreliosis.

    Science.gov (United States)

    Comstedt, Pär; Hanner, Markus; Schüler, Wolfgang; Meinke, Andreas; Schlegl, Robert; Lundberg, Urban

    2015-11-01

    Lyme borreliosis (LB) is the most common vector-borne disease in the northern hemisphere and there is no vaccine available for disease prevention. The majority of LB cases in Europe are caused by four different Borrelia species expressing six different OspA serotypes, whereas in the US only one of these serotypes is present. Immunization with the outer surface protein A (OspA) can prevent infection and the C-terminal part of OspA is sufficient for protection against infection transmitted by Ixodes ticks. Here we show that the order of the stabilized monomeric OspA fragments making up the heterodimers in our LB vaccine does not influence the induced immunogenicity and protection. Using bioinformatics analysis (surface electrostatics), we have designed an improved version of an LB vaccine which has an increased immunogenicity for OspA serotype 3 and an optimized expression and purification profile. The OspA heterodimers were highly purified with low amounts of endotoxin, host cell proteins and host cell DNA. All three proteins were at least 85% triacylated which ensured high immunogenicity. The LB vaccine presented here was designed, produced and characterized to a level which warrants further development as a second generation human LB vaccine.

  2. Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers

    Energy Technology Data Exchange (ETDEWEB)

    Sreepathi, Sarat [ORNL; D' Azevedo, Eduardo [ORNL; Philip, Bobby [ORNL; Worley, Patrick H [ORNL

    2016-01-01

    On large supercomputers, the job scheduling systems may assign a non-contiguous node allocation for user applications depending on available resources. With parallel applications using MPI (Message Passing Interface), the default process ordering does not take into account the actual physical node layout available to the application. This contributes to non-locality in terms of physical network topology and impacts communication performance of the application. In order to mitigate such performance penalties, this work describes techniques to identify suitable task mapping that takes the layout of the allocated nodes as well as the application's communication behavior into account. During the first phase of this research, we instrumented and collected performance data to characterize communication behavior of critical US DOE (United States - Department of Energy) applications using an augmented version of the mpiP tool. Subsequently, we developed several reordering methods (spectral bisection, neighbor join tree etc.) to combine node layout and application communication data for optimized task placement. We developed a tool called mpiAproxy to facilitate detailed evaluation of the various reordering algorithms without requiring full application executions. This work presents a comprehensive performance evaluation (14,000 experiments) of the various task mapping techniques in lowering communication costs on Titan, the leadership class supercomputer at Oak Ridge National Laboratory.

  3. Biophysical Characterization of Protected Areas Globally through Optimized Image Segmentation and Classification

    Directory of Open Access Journals (Sweden)

    Javier Martínez-López

    2016-09-01

    Full Text Available Protected areas (PAs need to be assessed systematically according to biodiversity values and threats in order to support decision-making processes. For this, PAs can be characterized according to their species, ecosystems and threats, but such information is often difficult to access and usually not comparable across regions. There are currently over 200,000 PAs in the world, and assessing these systematically according to their ecological values remains a huge challenge. However, linking remote sensing with ecological modelling can help to overcome some limitations of conservation studies, such as the sampling bias of biodiversity inventories. The aim of this paper is to introduce eHabitat+, a habitat modelling service supporting the European Commission’s Digital Observatory for Protected Areas, and specifically to discuss a component that systematically stratifies PAs into different habitat functional types based on remote sensing data. eHabitat+ uses an optimized procedure of automatic image segmentation based on several environmental variables to identify the main biophysical gradients in each PA. This allows a systematic production of key indicators on PAs that can be compared globally. Results from a few case studies are illustrated to show the benefits and limitations of this open-source tool.

  4. Mycosynthesis of silver and gold nanoparticles: Optimization, characterization and antimicrobial activity against human pathogens.

    Science.gov (United States)

    Balakumaran, M D; Ramachandran, R; Balashanmugam, P; Mukeshkumar, D J; Kalaichelvan, P T

    2016-01-01

    This study was aimed to isolate soil fungi from Kolli and Yercaud Hills, South India with the ultimate objective of producing antimicrobial nanoparticles. Among 65 fungi tested, the isolate, Bios PTK 6 extracellularly synthesized both silver and gold nanoparticles with good monodispersity. Under optimized reaction conditions, the strain Bios PTK 6 identified as Aspergillus terreus has produced extremely stable nanoparticles within 12h. These nanoparticles were characterized by UV-vis. spectrophotometer, HR-TEM, FTIR, XRD, EDX, SAED, ICP-AES and Zetasizer analyses. A. terreus synthesized 8-20 nm sized, spherical shaped silver nanoparticles whereas gold nanoparticles showed many interesting morphologies with a size of 10-50 nm. The presence and binding of proteins with nanoparticles was confirmed by FTIR study. Interestingly, the myco derived silver nanoparticles exhibited superior antimicrobial activity than the standard antibiotic, streptomycin except against Staphylococcus aureus and Bacillus subtilis. The leakage of intracellular components such as protein and nucleic acid demonstrated that silver nanoparticles damage the bacterial cells by formation of pores, which affects membrane permeability and finally leads to cell death. Further, presence of nanoparticles in the bacterial membrane and the breakage of cell wall were also observed using SEM. Thus, the obtained results clearly reveal that these antimicrobial nanoparticles could be explored as promising candidates for a variety of biomedical and pharmaceutical applications.

  5. OPTIMIZATION AND CHARACTERIZATION OF ELECTRON BEAM RESIST USING ATOMIC FORCE MICROSCOPY

    Directory of Open Access Journals (Sweden)

    - Sutikno

    2012-01-01

    Full Text Available Resis negatif ma-N 2403 dan 495 K PMMA memiliki resolusi yang baik untuk aplikasi litografi berkas elektron (EBL. Ketebalanresist optimal memainkan peran penting dalam paparan berkas elektron. Oleh karena itu, dalam penelitian ini, ketebalan darikedua resist yang dioptimalkan menggunakan spincoater dalam jangkauan laju spin 1000-6000 rpm. Semakin laju spin meningkat,ketebalan resist menurun juga. Morfologi permukaan resist dikarakterisasi dengan mikroskop gaya atom. Butir butir resist nampakpanjang. Dalam analisis AFM, permukaan profil resist negatif ma-N 2403 dan 495 K PMMA nampak seperti kerucut. Negative resist ma-N 2403 and 495 K PMMA have good resolution for electron beam lithography (EBL application. The optimumresist thickness plays significant role in e-beam exposure. Therefore, in this research, thicknesses of both resists were optimizedusing spincoater within spin speeds of 1000-6000 rpm. As spin speed increased, resist thickness decreased as well. Morphology ofresist surfaces were characterized using atomic force microscopy (AFM. Grains of resist show long grains. In AFM analyses,surface profiles of negative resist ma-N 2403 and 495 K PMMA show cone peaks.Keywords: e-beam resist; spincoater; e-beam lithography

  6. 20(S)-Protopanaxadiol Phospholipid Complex: Process Optimization, Characterization, In Vitro Dissolution and Molecular Docking Studies.

    Science.gov (United States)

    Pu, Yiqiong; Zhang, Xitong; Zhang, Qi; Wang, Bing; Chen, Yuxi; Zang, Chuanqi; Wang, Yuqin; Dong, Tina Ting-Xia; Zhang, Tong

    2016-10-19

    20(S)-Protopanaxadiol (PPD), a bioactive compound extracted from ginseng, possesses cardioprotective, neuroprotective, anti-inflammatory, antiestrogenic, anticancer and anxiolytic effects. However, the clinical application of PPD is limited by its weak aqueous solubility. In this study, we optimized an efficient method of preparing its phospholipid complex (PPD-PLC) using a central composite design and response surface analysis. The prepared PPD-PLC was characterized by differential scanning calorimetric, powder X-ray diffraction, Fourier-transformed infrared spectroscopy and nuclear magnetic resonance analyses associated with molecular docking calculation. The equilibrium solubility of PPD-PLC in water and n-octanol increased 6.53- and 1.53-times, respectively. Afterwards, using PPD-PLC as the intermediate, the PPD-PLC-loaded dry suspension (PPD-PLC-SU) was prepared with our previous method. In vitro evaluations were conducted on PPD-PLC and PPD-PLC-SU, including dissolution behaviors and stability properties under different conditions. Results of in vitro dissolution behavior revealed the improved dissolution extents and rates of PPD-PLC and PPD-PLC-SU (p PLC-SU compared with free PPD. Therefore, phospholipid complex technology is a useful formulation strategy for BCS II drugs, as it could effectively improve their hydrophilicity and lipophilicity.

  7. Formulation optimization and characterization of spray dried microparticles for inhalation delivery of doxycycline hyclate.

    Science.gov (United States)

    Mishra, Madhusmita; Mishra, Brahmeshwar

    2011-01-01

    The local delivery of antibiotics in the treatment of infectious respiratory diseases is an attractive alternative to deliver high concentration of antimicrobials directly to the lungs and minimize systemic side effects. In this study, inhalable microparticles containing doxycycline hyclate, sodium carboxymethylcellulose, leucine and lactose were prepared by spray drying of aqueous ethanol formulations. Box-Behnken design was used to study the influence of various independent variables such as polymer concentration, leucine concentration, ethanol concentration and inlet temperature of the spray dryer on microparticle characteristics. The microparticles were characterized in terms of particle morphology, drug excipient interaction, yield, entrapment efficiency, Carr's index, moisture content, thermal properties, X-ray powder diffraction, aerosolization performance and in vitro drug release. The effect of independent variables on spray dryer outlet temperature was also studied. The overall shape of the particles was found to be spherical like doughnuts in the size range of 1.16-5.2 µm. The optimized formulation (sodium carboxymethylcellulose concentration 14% w/v, leucine concentration 33% w/v, ethanol concentration 36% v/v, inlet temperature of 140°C) exhibited the following properties: yield 56.69%, moisture content 3.86%, encapsulation efficiency 61.74%, theoretical aerodynamic diameter 3.11 µm and Carr's index 23.5% at an outlet temperature 77°C. The powders generated were of a suitable mass median aerodynamic diameter (4.89 µm) with 49.3% fine particle fraction and exhibited a sustained drug release profile in vitro.

  8. Improved aquifer characterization and the optimization of the design of brackish groundwater desalination systems

    KAUST Repository

    Malivaa, Robert G.

    2011-07-01

    well program for a new 66,200 m3/d (17.5 million US gal/d, MGD) brackish-water desalination plant for the City of Hialeah, Florida. Salinity and hydraulic conductivity data from the borehole logging program were used for both well design (determination of production zone) and groundwater modeling to optimize the production wellfield layout and predict future water quality. Advanced characterization techniques have general applicability for improving the design and predictability of well-based raw water supply systems, including alternative seawater intakes. © 2011 Desalination Publications. All rights reserved.

  9. Chemical characterization of garnets from Garnet Ridge, northern Arizona in the Colorado Plateau

    Science.gov (United States)

    Itaru, K.; Ogasawara, Y.

    2011-12-01

    Garnet crystals with diverse chemistries and their origins have occurred at Garnet Ridge in northern Arizona, Colorado Plateau. The garnet grains occur as small grains (2-5mm φ) scattering on weathered late Jurassic red mudstone, very large grained single crystal (1 to several cm), and major constituent minerals of eclogite and other garnet-bearing xenoliths in kimberlitic diatreme. The important discovery of coesite-bearing lawsonite eclogite, which is one of the source rocks of garnets, has been reported by Usui et al. (2005), and their zircon ages (81 to 33 Ma) suggest that the lawsonite eclogite was a product of subduction of the Fallaron plate underneath the Colorado Plateau. We collected several kinds of garnet grains with various origins and of xenoliths, and clarified the chemical characteristics of these garnets with an electron microprobe (JXA-8900 WDS mode). The garnet samples were classified into 6 groups: (A) scattered grains of reddish to purplish garnet (2-5 mm φ), (B) large-grained reddish brown garnet, (C) garnet in an eclogite xenolith. (D) garnet in unknown xenolith A, (E) garnet in unknown xenolith B, (F) garnet in garnet-clinopyroxene rock xenolith (strongly altered). The results of microprobe analyses showed the large difference in each garnet type on Prp-Alm-Grs triangular diagram. The garnet chemistries were as follows: (1) Type A garnets were relatively Prp-rich but have a wide range in Prp component. The Cr2O3 contents (max. 4 wt.%) divided this type into two groups. (2) Type-B garnets were plotted near the center of the triangle and did not show clear chemical zonation. (3) Type-C garnets have Alm-rich composition and were low in Prp. They show chemical zonation of Pyr and Grs components (MgO:1.4 to 5.4 wt.%, and CaO: 14.0 to 5.6 wt.% both from core to rim). Clinopyroxene is omphacite. (4) Type D garnets were plotted on Alm-Grs join (Grs61-71Alm23-35And5-7). (5) Type E garnets are characterized by very low Grs-components and were

  10. Radiological, physical, and chemical characterization of low-level alpha contaminated wastes stored at the Idaho National Engineering Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Apel, M.L.; Becker, G.K.; Ragan, Z.K.; Frasure, J.; Raivo, B.D.; Gale, L.G.; Pace, D.P.

    1994-03-01

    This document provides radiological, physical, and chemical characterization data for low-level alpha-contaminated radioactive and low-level alpha-contaminated radioactive and hazardous (i.e., mixed) wastes stored at the Idaho National Engineering Laboratory and considered for treatment under the Private Sector Participation Initiative Program. Waste characterization data are provided in the form of INEL Waste Profile Sheets. These documents provide, for each content code, information on waste identification, waste description, waste storage configuration, physical/chemical waste composition, radionuclide and associated alpha activity waste characterization data, and hazardous constituents present in the waste. Information is provided for 97 waste streams which represent an estimated total volume of 25,450 m 3 corresponding to a total mass of approximately 12,000,000 kg. In addition, considerable information concerning alpha, beta, gamma, and neutron source term data specific to Rocky Flats-generated waste forms stored at the INEL are provided to assist in facility design specification.

  11. Novel quantitative methods for characterization of chemical induced functional alteration in developing neuronal cultures

    Science.gov (United States)

    ABSTRACT BODY: Thousands of chemicals lack adequate testing for adverse effects on nervous system development, stimulating research into alternative methods to screen chemicals for potential developmental neurotoxicity. Microelectrode arrays (MEA) collect action potential spiking...

  12. Optimization of LiCoO2 powder extraction process from cathodes of lithium-ion batteries by chemical dissolution

    Directory of Open Access Journals (Sweden)

    Lucas Evangelista Sita

    2015-05-01

    Full Text Available A chemical process has been applied to extract LiCoO2 powder from cathodes of spent lithium-ion batteries by dissolution of the binder that agglutinate the powder particle each other as well to the Al collector surface. As solvents dimethylformamide (DMF and N-methyilpirrolidone (NMP were employed and the variables, cathode area, solution temperature, ultrasound bath power and solution stirring were chosen to optimize the extraction process. NMP solutions presented best results for powder extraction than DMF solutions. At 100 oC and under mechanical stirring or low power ultrasound bath NMP solution optimizes the binder dissolution. Powder extractions under DMF solutions are slow and an increase in the powder extraction efficiency was observed for crushed cathodes on solutions under ultrasound bath, at medium power. Filtration processes can separate the decanted LiCoO2 powder extracted upon DMF dissolution while the powder in suspension in the NMP solutions is separated by centrifugation techniques.

  13. A generalized computationally efficient inverse characterization approach combining direct inversion solution initialization with gradient-based optimization

    Science.gov (United States)

    Wang, Mengyu; Brigham, John C.

    2017-03-01

    A computationally efficient gradient-based optimization approach for inverse material characterization from incomplete system response measurements that can utilize a generally applicable parameterization (e.g., finite element-type parameterization) is presented and evaluated. The key to this inverse characterization algorithm is the use of a direct inversion strategy with Gappy proper orthogonal decomposition (POD) response field estimation to initialize the inverse solution estimate prior to gradient-based optimization. Gappy POD is used to estimate the complete (i.e., all components over the entire spatial domain) system response field from incomplete (e.g., partial spatial distribution) measurements obtained from some type of system testing along with some amount of a priori information regarding the potential distribution of the unknown material property. The estimated complete system response is used within a physics-based direct inversion procedure with a finite element-type parameterization to estimate the spatial distribution of the desired unknown material property with minimal computational expense. Then, this estimated spatial distribution of the unknown material property is used to initialize a gradient-based optimization approach, which uses the adjoint method for computationally efficient gradient calculations, to produce the final estimate of the material property distribution. The three-step [(1) Gappy POD, (2) direct inversion, and (3) gradient-based optimization] inverse characterization approach is evaluated through simulated test problems based on the characterization of elastic modulus distributions with localized variations (e.g., inclusions) within simple structures. Overall, this inverse characterization approach is shown to efficiently and consistently provide accurate inverse characterization estimates for material property distributions from incomplete response field measurements. Moreover, the solution procedure is shown to be capable

  14. Chemical activation of in vitro matured dromedary camel (Camelus dromedarius) oocytes: optimization of protocols.

    Science.gov (United States)

    Wani, N A

    2008-03-15

    Experiments were conducted to study the efficiency of sequential treatments of ionomycine and ethanol combined with phosphorylation inhibitor (6-dimethylaminopurine) or the specific maturation promoting factor inhibitor (roscovitine) in inducing artificial activation in dromedary M-II oocytes. Cumulus oocyte complexes (COCs), collected from slaughterhouse ovaries were cultured at 38.5 degrees C in an atmosphere of 5% CO2 in air for 24-48 h. In experiment 1, the COCs were either fertilized in vitro or activated with 5 microM ionomycine for 5 min or 7% ethanol for 7 min, both followed by exposure to 6-diethylaminopurine or roscovitine for 4h. After 14-15 h of in vitro culture, the oocytes were fixed and stained with 1% aceto-orcein to evaluate their nuclear status. In experiment 2, the oocytes were activated in the same manner as in experiment 1 but were cultured for 7 days to evaluate their post-parthenogenetic development. In experiment 3, oocytes were exposed to the ionomycine for 2, 3, 4 or 5 min to evaluate the better exposure time while as in experiment 4, the oocytes matured for 28-48 h were activated to see the effect of aging on post-parthenogenetic development. Higher proportion (P0.05) in the proportion of oocytes activated with ethanol when compared with in vitro fertilized group. No significant difference was seen on the proportion of morula on day 7 of culture, however the development to blastocyst stage was higher (P0.05). The proportion of blastocysts obtained was higher (Pdromedary camel oocytes with ionomycine/6-DMAP is demonstrated and optimized in the present study for further use in the development of assisted reproductive techniques in this species.

  15. A stochastic chemical dynamic approach to correlate autoimmunity and optimal vitamin-D range.

    Directory of Open Access Journals (Sweden)

    Susmita Roy

    Full Text Available Motivated by several recent experimental observations that vitamin-D could interact with antigen presenting cells (APCs and T-lymphocyte cells (T-cells to promote and to regulate different stages of immune response, we developed a coarse grained but general kinetic model in an attempt to capture the role of vitamin-D in immunomodulatory responses. Our kinetic model, developed using the ideas of chemical network theory, leads to a system of nine coupled equations that we solve both by direct and by stochastic (Gillespie methods. Both the analyses consistently provide detail information on the dependence of immune response to the variation of critical rate parameters. We find that although vitamin-D plays a negligible role in the initial immune response, it exerts a profound influence in the long term, especially in helping the system to achieve a new, stable steady state. The study explores the role of vitamin-D in preserving an observed bistability in the phase diagram (spanned by system parameters of immune regulation, thus allowing the response to tolerate a wide range of pathogenic stimulation which could help in resisting autoimmune diseases. We also study how vitamin-D affects the time dependent population of dendritic cells that connect between innate and adaptive immune responses. Variations in dose dependent response of anti-inflammatory and pro-inflammatory T-cell populations to vitamin-D correlate well with recent experimental results. Our kinetic model allows for an estimation of the range of optimum level of vitamin-D required for smooth functioning of the immune system and for control of both hyper-regulation and inflammation. Most importantly, the present study reveals that an overdose or toxic level of vitamin-D or any steroid analogue could give rise to too large a tolerant response, leading to an inefficacy in adaptive immune function.

  16. Synthesis, Optimization, Property, Characterization, and Application of Dialdehyde Cross-Linking Guar Gum

    Directory of Open Access Journals (Sweden)

    Tang Hongbo

    2016-01-01

    Full Text Available Dialdehyde cross-linking guar gum (DCLGG, as a novel material, was synthesized using phosphorus oxychloride as a cross-linking reagent, sodium periodate as an oxidant, and ethanol as a solvent through keeping the original particle form of guar gum. The process parameters such as the reaction temperature, reaction time, pH, amount of sodium periodate, and amount of ethanol were optimized by the response surface methodology in order to obtain the regression model of the oxidization. The covalent binding of L-asparagine onto the surfaces of DCLGG was further investigated. The results showed that the best technological conditions for preparing DCLGG were as follows: reaction temperature = 40°C, reaction time = 3.0 h, pH = 4.0, and amount of ethanol = 74.5%. The swelling power of DCLGG was intermediate between cross-linking guar gum and dialdehyde guar gum. The cross-linking and dialdehyde oxidization reduced the viscosity of GG. The cross-liking reduced the melting enthalpy of GG. However, the oxidization increased melting enthalpy of ACLGG. The thermal stability of GG was increased by cross-linking or oxidization. The variation of the onset decomposition temperature and end decomposition temperature of GG was not consistent with thermal stability of GG. L-asparagine could be chemically bound well by DCLGG through forming Schiff base under the weak acidity. The maximum adsorption capacity of L-asparagine on DCLGG with aldehyde content of 56.2% reached 21.9 mg/g.

  17. Optimal Site Characterization and Selection Criteria for Oyster Restoration using Multicolinear Factorial Water Quality Approach

    Science.gov (United States)

    Yoon, J.

    2015-12-01

    Elevated levels of nutrient loadings have enriched the Chesapeake Bay estuaries and coastal waters via point and nonpoint sources and the atmosphere. Restoring oyster beds is considered a Best Management Practice (BMP) to improve the water quality as well as provide physical aquatic habitat and a healthier estuarine system. Efforts include declaring sanctuaries for brood-stocks, supplementing hard substrate on the bottom and aiding natural populations with the addition of hatchery-reared and disease-resistant stocks. An economic assessment suggests that restoring the ecological functions will improve water quality, stabilize shorelines, and establish a habitat for breeding grounds that outweighs the value of harvestable oyster production. Parametric factorial models were developed to investigate multicolinearities among in situ water quality and oyster restoration activities to evaluate posterior success rates upon multiple substrates, and physical, chemical, hydrological and biological site characteristics to systematically identify significant factors. Findings were then further utilized to identify the optimal sites for successful oyster restoration augmentable with Total Maximum Daily Loads (TMDLs) and BMPs. Factorial models evaluate the relationship among the dependent variable, oyster biomass, and treatments of temperature, salinity, total suspended solids, E. coli/Enterococci counts, depth, dissolved oxygen, chlorophyll a, nitrogen and phosphorus, and blocks consist of alternative substrates (oyster shells versus riprap, granite, cement, cinder blocks, limestone marl or combinations). Factorial model results were then compared to identify which combination of variables produces the highest posterior biomass of oysters. Developed Factorial model can facilitate maximizing the likelihood of successful oyster reef restoration in an effort to establish a healthier ecosystem and to improve overall estuarine water quality in the Chesapeake Bay estuaries.

  18. Two Optimization Methods to Determine the Rate Constants of a Complex Chemical Reaction Using FORTRAN and MATLAB

    Directory of Open Access Journals (Sweden)

    Abdel-Latif A. Seoud

    2010-01-01

    Full Text Available Problem statement: For chemical reactions, the determination of the rate constants is both very difficult and a time consuming process. The aim of this research was to develop computer programs for determining the rate constants for the general form of any complex reaction at a certain temperature. The development of such program can be very helpful in the control of industrial processes as well as in the study of the reaction mechanisms. Determination of the accurate values of the rate constants would help in establishing the optimum conditions of reactor design including pressure, temperature and other parameters of the chemical reaction. Approach: From the experimental concentration-time data, initial values of rate constants were calculated. Experimental data encountered several types of errors, including temperature variation, impurities in the reactants and human errors. Simulations of a second order consecutive irreversible chemical reaction of the saponification of diethyl ester were presented as an example of the complex reactions. The rate equations (system of simultaneous differential equations of the reaction were solved to get the analytical concentration versus time profiles. The simulation results were compared with experimental results at each measured point. All deviations between experimental and calculated values were squared and summed up to form a new function. This function was fed into a minimizer routine that gave the optimal rate constants. Two optimization techniques were developed using FORTRAN and MATLAB for accurately determining the rate constants of the reaction at certain temperature from the experimental data. Results: Results showed that the two proposed programs were very efficient, fast and accurate tools to determine the true rate constants of the reaction with less 1% error. The use of the MATLAB embedded subroutines for simultaneously solving the differential equations and minimization of the error function

  19. Characterization and Modeling of a Coupled Thermal-Hydrological-Mechanical-Chemical-Biological Experimental Facility at DUSEL

    Science.gov (United States)

    Sonnenthal, E. L.; Elsworth, D.; Lowell, R. P.; Maher, K.; Mailloux, B. J.; Uzunlar, N.; Conrad, M. E.; Jones, T. L.; Olsen, N. J.

    2010-12-01

    A design is being formulated for a large-scale subsurface experimental facility at the 4850 foot level of the Homestake Mine in South Dakota. The purpose of the experiment is to investigate coupled Thermal-Hydrological-Mechanical-Chemical-Biological (THMCB) processes in fractured rock under stress and would be part of the proposed Deep Underground Science and Engineering Laboratory (DUSEL). Key questions we propose to answer are: 1) What are the effective reaction rates for mineral-fluid interaction in fractured rock under stress?; 2) How does mineral and fluid chemistry affect fracture mechanical behavior and permeability changes under stress at elevated temperatures?; and 3) How do microbial communities evolve in fractured rock under a thermal gradient and under changing stress conditions? In addition to the experiment as an in-situ laboratory for studying crustal processes, it has significant benefits for evaluating stimulation and production in Enhanced Geothermal Systems. Design and planning of the experiment included characterization of the geological, chemical, and isotopic characteristics of the rock and seeping fluids, thermal-hydrological and reactive transport modeling. During a reconnaissance study, strong heterogeneity in fracture fluxes and permeability were observed at the block site with some open boreholes continuously flowing at up to 1 liter/minute, and locally elevated fluid temperatures. A two-dimensional thermal-hydrological model was developed to evaluate fluid fluxes and temperatures as a function of heat input and borehole heater configuration. The dual permeability model considers fluid flow and heat transfer between an array of fractures and rock matrix, both having permeability anisotropy. A horizontal rock matrix permeability of 10-18 m2 was based on recent lab measurements, with a vertical matrix permeability estimated to be one order-of-magnitude higher to account for the strong nearly vertical foliation in the Homestake and Poorman

  20. Microstructural characterization of chemical bath deposited and sputtered Zn(O,S) buffer layers

    Energy Technology Data Exchange (ETDEWEB)

    Gautron, E., E-mail: eric.gautron@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Buffière, M. [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); 44solar, 14 rue Kepler, 44240 La Chapelle sur Erdre (France); Harel, S.; Assmann, L.; Arzel, L.; Brohan, L. [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Kessler, J. [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); 44solar, 14 rue Kepler, 44240 La Chapelle sur Erdre (France); Barreau, N. [Institut des Matériaux Jean Rouxel (IMN)-UMR 6502, Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France)

    2013-05-01

    The present work aims at investigating the microstructure of Zn(O,S) buffer layers relative to their deposition route, namely either chemical bath deposition (CBD) or RF co-sputtering process (PVD) under pure Ar. The core of the study consists of cross-sectional transmission electron microscopy (TEM) characterization of the differently grown Zn(O,S) thin films on co-evaporated Cu(In,Ga)Se{sub 2} (CIGSe) absorbers. It shows that the morphology of Zn(O,S) layer deposited on CIGSe using CBD process is made of a thin layer of well oriented ZnS sphalerite-(111) and/or ZnS wurtzite-(0002) planes parallel to CIGSe chalcopyrite-(112) planes at the interface with CIGSe followed by misoriented nanometer-sized ZnS crystallites in an amorphous phase. As far as (PVD)Zn(O,S) is concerned, the TEM analyses reveal two different microstructures depending on the S-content in the films: for [S] / ([O] + [S]) = 0.6, the buffer layer is made of ZnO zincite and ZnS wurtzite crystallites grown nearly coherently to each other, with (0002) planes nearly parallel with CIGSe-(112) planes, while for [S] / ([O] + [S]) = 0.3, it is made of ZnO zincite type crystals with O atoms substituted by S atoms, with (0002) planes perfectly aligned with CIGSe-(112) planes. Such microstructural differences can explain why photovoltaic performances are dependent on the Zn(O,S) buffer layer deposition route. - Highlights: ► Zn(O,S) layers were grown by chemical bath (CBD) or physical vapor (PVD) deposition. ► For CBD, a 3 nm ZnS layer is followed by ZnS nano-crystallites in an amorphous phase. ► For PVD with [S] / ([O] + [S]) = 0.3, the layer has a Zn(O,S) zincite structure. ► For PVD with [S] / ([O] + [S]) = 0.6, ZnS wurtzite and ZnO zincite phases are mixed.

  1. Electron Transfer Reactivity Patterns at Chemically Modified Electrodes: Fundamentals and Application to the Optimization of Redox Recycling Amplification Systems

    Energy Technology Data Exchange (ETDEWEB)

    Bergren, Adam Johan [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    Electroanalytical chemistry is often utilized in chemical analysis and Fundamental studies. Important advances have been made in these areas since the advent of chemically modified electrodes: the coating of an electrode with a chemical film in order to impart desirable, and ideally, predictable properties. These procedures enable the exploitation of unique reactivity patterns. This dissertation presents studies that investigate novel reaction mechanisms at self-assembled monolayers on gold. In particular, a unique electrochemical current amplification scheme is detailed that relies on a selective electrode to enable a reactivity pattern that results in regeneration of the analyte (redox recycling). This regenerating reaction can occur up to 250 times for each analyte molecule, leading to a notable enhancement in the observed current. The requirements of electrode selectivity and the resulting amplification and detection limit improvements are described with respect to the heterogeneous and homogeneous electron transfer rates that characterize the system. These studies revealed that the heterogeneous electrolysis of the analyte should ideally be electrochemically reversible, while that for the regenerating agent should be held to a low level. Moreover, the homogeneous reaction that recycles the analyte should occur at a rapid rate. The physical selectivity mechanism is also detailed with respect to the properties of the electrode and redox probes utilized. It is shown that partitioning of the analyte into/onto the adlayer leads to the extraordinary selectivity of the alkanethiolate monolayer modified electrode. Collectively, these studies enable a thorough understanding of the complex electrode mechanism required for successful redox recycling amplification systems, Finally, in a separate (but related) study, the effect of the akyl chain length on the heterogeneous electron transfer behavior of solution-based redox probes is reported, where an odd-even oscillation

  2. Chemical characterization of atmospheric ions at the high altitude research station Jungfraujoch (Switzerland)

    Science.gov (United States)

    Frege, Carla; Bianchi, Federico; Molteni, Ugo; Tröstl, Jasmin; Junninen, Heikki; Henne, Stephan; Sipilä, Mikko; Herrmann, Erik; Rossi, Michel J.; Kulmala, Markku; Hoyle, Christopher R.; Baltensperger, Urs; Dommen, Josef

    2017-02-01

    The ion composition at high altitude (3454 m a.s.l.) was measured with an atmospheric pressure interface time-of-flight mass spectrometer (APi-TOF) during a period of 9 months, from August 2013 to April 2014. The negative mass spectra were dominated by the ions of sulfuric, nitric, malonic, and methanesulfonic acid (MSA) as well as SO5-. The most prominent positive ion peaks were from amines. The other cations were mainly organic compounds clustered with a nitrogen-containing ion, which could be either NH4+ or an aminium. Occasionally the positive spectra were characterized by groups of compounds each differing by a methylene group. In