Sample records for aggregation chemistry

  1. Medicinal Chemistry Focusing on Aggregation of Amyloid-β. (United States)

    Sohma, Youhei


    The aggregation of peptides/proteins is intimately related to a number of human diseases. More than 20 have been identified which aggregate into fibrils containing extensive β-sheet structures, and species generated in the aggregation processes (i.e., oligomers and fibrils) contribute to disease development. Amyloid-β peptide (designated Aβ), related to Alzheimer's disease (AD), is the representative example. The intensive aggregation property of Aβ also leads to difficulty in its synthesis. To improve the synthetic problem, we developed an O-acyl isopeptide of Aβ1-42, in which the N-acyl linkage (amide bond) of Ser(26) was replaced with an O-acyl linkage (ester bond) at the side chain. The O-acyl isopeptide demonstrated markedly higher water-solubility than that of Aβ1-42, while it quickly converted to intact monomer Aβ1-42 via an O-to-N acyl rearrangement under physiological conditions. Inhibition of the pathogenic aggregation of Aβ1-42 might be a therapeutic strategy for curing AD. We succeeded in the rational design and identification of a small molecule aggregation inhibitor based on a pharmacophore motif obtained from cyclo[-Lys-Leu-Val-Phe-Phe-]. Moreover, the inhibition of Aβ aggregation was achieved via oxygenation (i.e., incorporation of oxygen atoms to Aβ) using an artificial catalyst. We identified a selective, cell-compatible photo-oxygenation catalyst of Aβ, a flavin catalyst attached to an Aβ-binding peptide, which markedly decreased the aggregation potency and neurotoxicity of Aβ.

  2. Degradable polymeric nanoparticles by aggregation of thermoresponsive polymers and ``click'' chemistry (United States)

    Dworak, Andrzej; Lipowska, Daria; Szweda, Dawid; Suwinski, Jerzy; Trzebicka, Barbara; Szweda, Roza


    This study describes a novel approach to the preparation of crosslinked polymeric nanoparticles of controlled sizes that can be degraded under basic conditions. For this purpose thermoresponsive copolymers containing azide and alkyne functions were obtained by ATRP of di(ethylene glycol) monomethyl ether methacrylate (D) and 2-aminoethyl methacrylate (A) followed by post polymerization modification. The amino groups of A were reacted with propargyl chloroformate or 2-azido-1,3-dimethylimidazolinium hexafluorophosphate, which led to two types of copolymers. Increasing the temperature of aqueous solutions of the mixed copolymers caused their aggregation into spherical nanoparticles composed of both types of chains. Their dimensions could be controlled by changing the concentration and heating rate of the solutions. Covalent stabilization of aggregated chains was performed by a ``click'' reaction between the azide and alkyne groups. Due to the presence of a carbamate bond the nanoparticles undergo pH dependent degradation under mild basic conditions. The proposed procedure opens a route to new carriers for the controlled release of active species.This study describes a novel approach to the preparation of crosslinked polymeric nanoparticles of controlled sizes that can be degraded under basic conditions. For this purpose thermoresponsive copolymers containing azide and alkyne functions were obtained by ATRP of di(ethylene glycol) monomethyl ether methacrylate (D) and 2-aminoethyl methacrylate (A) followed by post polymerization modification. The amino groups of A were reacted with propargyl chloroformate or 2-azido-1,3-dimethylimidazolinium hexafluorophosphate, which led to two types of copolymers. Increasing the temperature of aqueous solutions of the mixed copolymers caused their aggregation into spherical nanoparticles composed of both types of chains. Their dimensions could be controlled by changing the concentration and heating rate of the solutions. Covalent

  3. Role of microbial Fe(III) reduction and solution chemistry in aggregation and settling of suspended particles in the Mississippi River Delta plain, Louisiana, USA (United States)

    Jaisi, D.P.; Ji, S.; Dong, H.; Blake, R.E.; Eberl, D.D.; Kim, J.


    River-dominated delta areas are primary sites of active biogeochemical cycling, with productivity enhanced by terrestrial inputs of nutrients. Particle aggregation in these areas primarily controls the deposition of suspended particles, yet factors that control particle aggregation and resulting sedimentation in these environments are poorly understood. This study was designed to investigate the role of microbial Fe(III) reduction and solution chemistry in aggregation of suspended particles in the Mississippi Delta. Three representative sites along the salinity gradient were selected and sediments were collected from the sediment-water interface. Based on quantitative mineralogical analyses 88-89 wt.% of all minerals in the sediments are clays, mainly smectite and illite. Consumption of SO421 and the formation of H2S and pyrite during microbial Fe(III) reduction of the non-sterile sediments by Shewanella putrefaciens CN32 in artificial pore water (APW) media suggest simultaneous sulfate and Fe(III) reduction activity. The pHPZNPC of the sediments was ??? 3.5 and their zeta potentials at the sediment-water interface pH (6.9-7.3) varied from -35 to -45 mV, suggesting that both edges and faces of clay particles have negative surface charge. Therefore, high concentrations of cations in pore water are expected to be a predominant factor in particle aggregation consistent with the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. Experiments on aggregation of different types of sediments in the same APW composition revealed that the sediment with low zeta potential had a high rate of aggregation. Similarly, addition of external Fe(II) (i.e. not derived from sediments) was normally found to enhance particle aggregation and deposition in all sediments, probably resulting from a decrease in surface potential of particles due to specific Fe(II) sorption. Scanning and transmission electron microscopy (SEM, TEM) images showed predominant face-to-face clay aggregation in native

  4. Triblock polyphiles through click chemistry: self-assembled thermotropic cubic phases formed by micellar and monolayer vesicular aggregates. (United States)

    Tan, Xiaoping; Kong, Leiyang; Dai, Heng; Cheng, Xiaohong; Liu, Feng; Tschierske, Carsten


    Three series of triblock polyphiles consisting of a rigid 4-phenyl-1,2,3-triazole or 1,4-diphenyl-1,2,3-triazole core with three lipophilic and flexible alkoxyl chains at one end and a polar glycerol group at the opposite end were synthesized by copper-catalyzed azide-alkyne click reactions. Their mesophase behavior was studied by polarizing optical microscopy, differential scanning calorimetry, and XRD. Depending on alkyl chain length and core length, a transition from hexagonal columnar to Pm3n-type cubic phases was observed. In the cubic phases, the molecules are organized as spherical objects. Remarkably, compounds with a longer core unit have a higher tendency to form these cubic phases, and their stability is strongly enhanced over those of the compounds with a shorter core, despite longer cores having a smaller cone angle and therefore being expected to disfavor the formation of spherical objects. There is a large difference in the number of molecules involved in the spherical aggregates formed by compounds with long and short cores. Whereas the aggregates in the cubic phases of the compounds with short rod units are small and could be regarded as micellar, the long-core compounds form much larger aggregates which are regarded as a kind of monolayer vesicular aggregate.

  5. J-Aggregates of Amphiphilic Cyanine Dyes for Dye-Sensitized Solar Cells: A Combination between Computational Chemistry and Experimental Device Physics

    Directory of Open Access Journals (Sweden)

    M. S. A. Abdel-Mottaleb


    Full Text Available We report on the design and structure principles of 5,5′-6,6′-tetrachloro-1,1′-dioctyl-3,3′-bis-(3-carboxypropyl-benzimidacarbocyanine (Dye 1. Such metal-free amphiphilic cyanine dyes have many applications in dye-sensitized solar cells. AFM surface topographic investigation of amphiphilic molecules of Dye 1 adsorbed on TiO2 anode reveals the ability of spontaneous self-organization into highly ordered aggregates of fiber-like structure. These aggregates are known to exhibit outstanding optical properties of J-aggregates, namely, efficient exciton coupling and fast exciton energy migration, which are essential for building up artificial light harvesting to the photovoltaic device. A light-to-electricity conversion efficiency of DSSC based on the metal free amphiphilic Dye 1 is η=3.75, which is about 50% of that based on metal-based N719 Ru-dye (Di-tetrabutylammoniumcis-bis(isothiocyanatobis(2,2′-bipyridyl-4,4′-dicarboxylatoruthenium(II. DFT and TD-DFT studies show that large intramolecular charge transfer takes place from the HOMO to LUMO. HOMO is localized on a part of the molecule with almost no contribution from the carboxylic moiety. This clearly indicates that the anchoring carboxylic group plays a minor role.

  6. In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal & Surface Complexation Using Soft X-Ray

    Energy Technology Data Exchange (ETDEWEB)

    Myneni, Satish, C


    Organic molecules are common in all Earth surface environments, and their composition and chemistry play an important role in a variety of biogeochemical reactions, such as mineral weathering, nutrient cycling and the solubility and transport of contaminants. However, most of what we know about the chemistry of these molecules comes from spectroscopy and microscopy studies of organic molecules extracted from different natural systems using either inorganic or organic solvents. Although all these methods gave us clues about the composition of these molecules, their composition and structure change with the extraction and the type of ex-situ analysis, their true behavior is less well understood. The goal of this project is to develop synchrotron instrumentation for studying natural organics, and to apply these recently developed synchrotron X-ray spectroscopy and microscopy techniques for understanding the: (1) functional group composition of naturally occurring organic molecules; (2) macromolecular structures of organic molecules; and (3) the nature of interactions of organic molecules with mineral surfaces in different environmental conditions.

  7. Construction aggregates (United States)

    Nelson, T.I.; Bolen, W.P.


    Construction aggregates, primarily stone, sand and gravel, are recovered from widespread naturally occurring mineral deposits and processed for use primarily in the construction industry. They are mined, crushed, sorted by size and sold loose or combined with portland cement or asphaltic cement to make concrete products to build roads, houses, buildings, and other structures. Much smaller quantities are used in agriculture, cement manufacture, chemical and metallurgical processes, glass production and many other products.

  8. Application of colloidal chemistry in aqueous phase to the preparation of supported metallic catalysts: particles size and aggregation control; Application de la chimie colloidale en phase aqueuse a la preparation de catalyseurs metalliques supportes: controle de la taille et de l`etat d`agregation des particules

    Energy Technology Data Exchange (ETDEWEB)

    Pages, T.


    This work is an application of colloidal chemistry in aqueous phase on supported metal catalyst preparation. The objective is the control of particle size and aggregation. The preparation of the materials was achieved in two steps: - the synthesis of PdO hydrosols was obtained by two ways: neutralisation of the solution containing metallic salt by adding alkaline solution or by thermo-hydrolysis; the sols were then deposited on carriers (Al{sub 2}O{sub 3}, SIO{sub 2}). The use of partial charge model allowed us to determine the complexes that were able to generate PdO. The preparation of PdO from Pd(H{sub 2}O){sub 4}{sup 2+} was studied and a mechanism of oxide formation was elaborated. The neutralisation of Pd(H{sub 2}O){sub 4}{sup 2+} obtained by adding alkaline solution led to particles with an average size of 1.8 nm and a narrow particle size distribution. Only the thermo-hydrolysis of Pd(H{sub 2}O){sub 4}{sup 2+} led to particles which size is higher than 3.0 nm. In the last case, particle size is controlled by the precursor concentration (Pd(H{sub 2}O){sub 2}(OH){sub 2}) generated in the medium. We have demonstrated that particle aggregation in the sol depends on the Ph and the way of preparation. It can be controlled by adding complexing anions (Cl{sup -}, NO{sub 2}{sup -}). Concerning the deposition of sols on carriers, it led to isolated or aggregated particles according to experimental conditions. Particle size was not modified during the deposition. Moreover, in our experimental conditions, reduction of particles did not modify particle size and aggregation. An application of this original way of preparation on catalysis allowed us to demonstrate the interest of controlling particle size and aggregation. (author) 186 refs.

  9. Colour Chemistry (United States)

    Griffiths, J.; Rattee, I. D.


    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  10. Chemistry Dashboard (United States)

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  11. Chemistry Notes (United States)

    School Science Review, 1976


    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  12. Biophysical chemistry. (United States)

    Häussinger, Daniel; Pfohl, Thomas


    Biophysical chemistry at the Department of Chemistry, University of Basel, covers the NMR analysis of protein-protein interaction using paramagnetic tags and sophisticated microscopy techniques investigating the dynamics of biological matter.

  13. Heterocyclic chemistry


    Hemming, Karl


    Recent progress in the synthesis of heterocyclic compounds is presented\\ud 2010 offered highlights in pericyclic chemistry, particularly 1,3-dipolar cycloaddition chemistry, asymmetric synthesis, gold catalysis, organocatalysis, hydroamination, C–H activation and multicomponent reactions.

  14. Combinatorial chemistry

    DEFF Research Database (Denmark)

    Nielsen, John


    An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds.......An overview of combinatorial chemistry is presented. Combinatorial chemistry, sometimes referred to as `irrational drug design,' involves the generation of molecular diversity. The resulting chemical library is then screened for biologically active compounds....

  15. Positronium chemistry

    CERN Document Server

    Green, James


    Positronium Chemistry focuses on the methodologies, reactions, processes, and transformations involved in positronium chemistry. The publication first offers information on positrons and positronium and experimental methods, including mesonic atoms, angular correlation measurements, annihilation spectra, and statistical errors in delayed coincidence measurements. The text then ponders on positrons in gases and solids. The manuscript takes a look at the theoretical chemistry of positronium and positronium chemistry in gases. Topics include quenching, annihilation spectrum, delayed coincidence

  16. Distinguishing aggregate formation and aggregate clearance using cell based assays

    NARCIS (Netherlands)

    E. Eenjes, E.; J.M. Dragich; H. Kampinga (Harm); A. Yamamoto, A.


    textabstractThe accumulation of ubiquitinated proteinaceous inclusions represents a complex process, reflecting the disequilibrium between aggregate formation and aggregate clearance. Although decreasing aggregate formation or augmenting aggregate clearance will ultimately lead to diminished aggrega

  17. Forensic chemistry. (United States)

    Bell, Suzanne


    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  18. Impact of Particle Aggregation on Nanoparticle Reactivity (United States)

    Jassby, David


    nanoparticle that photoluminesces after exposure to UV; TiO2 and ZnO nanoparticles---photocatalytic nanoparticles that generate reactive oxygen species upon UV irradition; and, fullerene nanoparticles used in the filtration experiments, selected for their potential use, small size, and surface chemistry. Our primary methods used to characterize particle and aggregate characteristics include dynamic light scattering used to describe particle size, static light scattering used to characterize aggregate structure (fractal dimension), transmission electron microscopy used to verify primary particle sizes, and electrophoretic mobility measurements to evaluate suspension stability. The reactive property of ZnS that was measured as a function of aggregation was photoluminescence, which was measured using a spectrofluorometer. The reactive property of TiO2 and ZnO that was studied was their ability to generate hydroxyl radicals; these were measured by employing a fluorescent probe that becomes luminescent upon interaction with the hydroxyl radical. To detect the presence of fullerene nanoparticles and calculate removal efficiencies, we used total organic carbon measurements. Additionally, we used UV-vis spectroscopy to approximate the impact of particle shadowing in TiO2 and ZnO aggregates, and Fourier transformed infrared spectroscopy to determine how different electrolytes interact with fullerene surface groups. Our findings indicate that the impact of aggregation on nanoparticle reactivity is material specific. ZnS nanoparticles exhibit a 2-fold increase in band-edge photoluminescence alongside a significant decrease in defect-site photoluminescence. This is attributed to aggregate size-dependent surface tension. Additionally, we used photoluminescence measurements to develop a new method for calculating the critical coagulation concentration of a nanoparticle suspension. The ability of both TiO2 and ZnO to generate hydroxyl radicals was significantly hampered by aggregation. The

  19. Computational chemistry



    Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlighted the importance of these advances in computational chemistry. With massively parallel computers ...

  20. Organic chemistry

    Energy Technology Data Exchange (ETDEWEB)



    This book with sixteen chapter explains organic chemistry on linkage isomerism such as alkane, cycloalkane, alkene, aromatic compounds, stereo selective isomerization, aromatic compounds, stereo selective isomerization, organic compounds, stereo selective isomerization, organic halogen compound, alcohol, ether, aldehyde and ketone, carboxylic acid, dicarboxylic acid, fat and detergent, amino, carbohydrate, amino acid and protein, nucleotide and nucleic acid and spectroscopy, a polymer and medical chemistry. Each chapter has introduction structure and characteristic and using of organic chemistry.

  1. Bioinorganic Chemistry


    Bertini, Ivano; Gray, Harry B.; Lippard, Stephen J.; Valentine, Joan Selverstone


    This book covers material that could be included in a one-quarter or one-semester course in bioinorganic chemistry for graduate students and advanced undergraduate students in chemistry or biochemistry. We believe that such a course should provide students with the background required to follow the research literature in the field. The topics were chosen to represent those areas of bioinorganic chemistry that are mature enough for textbook presentation. Although each chapter presents material...

  2. Chemistry Technology (United States)

    Federal Laboratory Consortium — Chemistry technology experts at NCATS engage in a variety of innovative translational research activities, including:Design of bioactive small molecules.Development...

  3. Mineralogia, química e estabilidade de agregados do tamanho de silte de solos da Região Sudeste do Brasil Mineralogy, chemistry and stability of silt-size aggregates of soils from the Southeast Region of Brazil

    Directory of Open Access Journals (Sweden)

    Antonio Carlos Tadeu Vitorino


    Full Text Available Com o objetivo de avaliar a relação da composição mineralógica e química do solo com a estabilidade de agregados do tamanho de silte, foram realizados estudos utilizando-se amostras de horizontes A e B de diversos solos da Região Sudeste do Brasil. Amostras de TFSA foram dispersas a 12.000 rpm por 20 minutos e a fração silte foi separada por esgotamento da fração argila, constituindo-se na fração denominada pseudo-silte, a qual foi sonificada, separando-se a fração argila desagregada (por sifonamento da fração silte propriamente dita. Estudos de correlação mostraram que as composições mineralógica e química dos solos têm efeito marcante na dispersão de argila, com reflexos na fração silte. Maiores teores de gibbsita refletem em maior estabilidade dos agregados do tamanho de silte ao passo que a caulinita proporciona efeito inverso. As formas de Al determinadas na fração pseudo-silte estão associadas à maior dificuldade de dispersão da fração argila dos solos.The objective of this work was to evaluate the relationship of soil mineralogical and chemical composition with stability of silt-size aggregates. The studies were carried out using samples of A and B horizons of some soils from the Southeast Region of Brazil. Fine-earth samples were dispersed at 12,000 rpm during 20 minutes and the silt fraction was separated through clay fraction drain, constituting the fraction named pseudo-silt, which was sonificated, separating the desegregated clay fraction (by sonication from the properly named silt fraction. Correlation analyses showed that the soil mineralogical and chemical compositions have marked influence upon clay dispersion, with reflections on the silt fraction. Higher amounts of gibbsite reflect in higher stability of silt-size aggregates, while the kaolinite promotes inverse effect. The Al forms determined on the pseudo-silt fraction are associated with higher difficult of dispersion of clay fraction of

  4. Platelet activation and aggregation

    DEFF Research Database (Denmark)

    Jensen, Maria Sander; Larsen, O H; Christiansen, Kirsten


    This study introduces a new laboratory model of whole blood platelet aggregation stimulated by endogenously generated thrombin, and explores this aspect in haemophilia A in which impaired thrombin generation is a major hallmark. The method was established to measure platelet aggregation initiated...

  5. Aggregations in Flatworms. (United States)

    Liffen, C. L.; Hunter, M.


    Described is a school project to investigate aggregations in flatworms which may be influenced by light intensity, temperature, and some form of chemical stimulus released by already aggregating flatworms. Such investigations could be adopted to suit many educational levels of science laboratory activities. (DS)

  6. Aggregates from mineral wastes

    Directory of Open Access Journals (Sweden)

    Baic Ireneusz


    Full Text Available The problem concerning the growing demand for natural aggregates and the need to limit costs, including transportation from remote deposits, cause the increase in growth of interest in aggregates from mineral wastes as well as in technologies of their production and recovery. The paper presents the issue related to the group of aggregates other than natural. A common name is proposed for such material: “alternative aggregates”. The name seems to be fully justified due to adequacy of this term because of this raw materials origin and role, in comparison to the meaning of natural aggregates based on gravel and sand as well as crushed stones. The paper presents characteristics of the market and basic application of aggregates produced from mineral wastes, generated in the mining, power and metallurgical industries as well as material from demolished objects.

  7. Pheromone Chemistry of the Smaller European Elm Bark Beetle. (United States)

    Beck, Keith


    Discusses the aggregation pheromone of the smaller European elm bark beetle, Scolytus multistriatus (Marsham), with emphasis on information that could be used in the classroom as a practical application of organic chemistry. (Author/GA)

  8. Protein aggregate myopathies

    Directory of Open Access Journals (Sweden)

    Sharma M


    Full Text Available Protein aggregate myopathies (PAM are an emerging group of muscle diseases characterized by structural abnormalities. Protein aggregate myopathies are marked by the aggregation of intrinsic proteins within muscle fibers and fall into four major groups or conditions: (1 desmin-related myopathies (DRM that include desminopathies, a-B crystallinopathies, selenoproteinopathies caused by mutations in the, a-B crystallin and selenoprotein N1 genes, (2 hereditary inclusion body myopathies, several of which have been linked to different chromosomal gene loci, but with as yet unidentified protein product, (3 actinopathies marked by mutations in the sarcomeric ACTA1 gene, and (4 myosinopathy marked by a mutation in the MYH-7 gene. While PAM forms 1 and 2 are probably based on impaired extralysosomal protein degradation, resulting in the accumulation of numerous and diverse proteins (in familial types in addition to respective mutant proteins, PAM forms 3 and 4 may represent anabolic or developmental defects because of preservation of sarcomeres outside of the actin and myosin aggregates and dearth or absence of other proteins in these actin or myosin aggregates, respectively. The pathogenetic principles governing protein aggregation within muscle fibers and subsequent structural sarcomeres are still largely unknown in both the putative catabolic and anabolic forms of PAM. Presence of inclusions and their protein composition in other congenital myopathies such as reducing bodies, cylindrical spirals, tubular aggregates and others await clarification. The hitherto described PAMs were first identified by immunohistochemistry of proteins and subsequently by molecular analysis of their genes.

  9. Charged Dust Aggregate Interactions (United States)

    Matthews, Lorin; Hyde, Truell


    A proper understanding of the behavior of dust particle aggregates immersed in a complex plasma first requires a knowledge of the basic properties of the system. Among the most important of these are the net electrostatic charge and higher multipole moments on the dust aggregate as well as the manner in which the aggregate interacts with the local electrostatic fields. The formation of elongated, fractal-like aggregates levitating in the sheath electric field of a weakly ionized RF generated plasma discharge has recently been observed experimentally. The resulting data has shown that as aggregates approach one another, they can both accelerate and rotate. At equilibrium, aggregates are observed to levitate with regular spacing, rotating about their long axis aligned parallel to the sheath electric field. Since gas drag tends to slow any such rotation, energy must be constantly fed into the system in order to sustain it. A numerical model designed to analyze this motion provides both the electrostatic charge and higher multipole moments of the aggregate while including the forces due to thermophoresis, neutral gas drag, and the ion wakefield. This model will be used to investigate the ambient conditions leading to the observed interactions. This research is funded by NSF Grant 1414523.

  10. Quantum chemistry

    CERN Document Server

    Lowe, John P


    Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom,

  11. Aggregated Computational Toxicology Online Resource (United States)

    U.S. Environmental Protection Agency — Aggregated Computational Toxicology Online Resource (AcTOR) is EPA's online aggregator of all the public sources of chemical toxicity data. ACToR aggregates data...

  12. Recycled aggregates concrete: aggregate and mix properties

    Directory of Open Access Journals (Sweden)

    González-Fonteboa, B.


    Full Text Available This study of structural concrete made with recycled concrete aggregate focuses on two issues: 1. The characterization of such aggregate on the Spanish market. This involved conducting standard tests to determine density, water absorption, grading, shape, flakiness and hardness. The results obtained show that, despite the considerable differences with respect to density and water absorption between these and natural aggregates, on the whole recycled aggregate is apt for use in concrete production. 2. Testing to determine the values of basic concrete properties: mix design parameters were established for structural concrete in non-aggressive environments. These parameters were used to produce conventional concrete, and then adjusted to manufacture recycled concrete aggregate (RCA concrete, in which 50% of the coarse aggregate was replaced by the recycled material. Tests were conducted to determine the physical (density of the fresh and hardened material, water absorption and mechanical (compressive strength, splitting tensile strength and modulus of elasticity properties. The results showed that, from the standpoint of its physical and mechanical properties, concrete in which RCA accounted for 50% of the coarse aggregate compared favourably to conventional concrete.

    Se aborda el estudio de hormigones estructurales fabricados con áridos reciclados procedentes de hormigón, incidiéndose en dos aspectos: 1. Caracterización de tales áridos, procedentes del mercado español. Para ello se llevan a cabo ensayos de densidad, absorción, granulometría, coeficiente de forma, índice de lajas y dureza. Los resultados obtenidos han puesto de manifiesto que, a pesar de que existen diferencias notables (sobre todo en cuanto a densidad y absorción con los áridos naturales, las características de los áridos hacen posible la fabricación de hormigones. 2. Ensayos sobre propiedades básicas de los hormigones: se establecen parámetros de dosificaci

  13. Introductory Chemistry


    Baron, Mark; Gonzalez-Rodriguez, Jose; Stevens, Gary; Gray, Nathan; Atherton, Thomas; Winn, Joss


    Teaching and Learning resources for the 1st Year Introductory Chemistry course (Forensic Science). 30 credits. These are Open Educational Resources (OER), made available for re-use under a Creative Commons license.

  14. Nuclear Chemistry. (United States)

    Chemical and Engineering News, 1979


    Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

  15. Materials Chemistry

    CERN Document Server

    Fahlman, Bradley D


    The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

  16. Aggregation and Averaging. (United States)

    Siegel, Irving H.

    The arithmetic processes of aggregation and averaging are basic to quantitative investigations of employment, unemployment, and related concepts. In explaining these concepts, this report stresses need for accuracy and consistency in measurements, and describes tools for analyzing alternative measures. (BH)

  17. Protein Colloidal Aggregation Project (United States)

    Oliva-Buisson, Yvette J. (Compiler)


    To investigate the pathways and kinetics of protein aggregation to allow accurate predictive modeling of the process and evaluation of potential inhibitors to prevalent diseases including cataract formation, chronic traumatic encephalopathy, Alzheimer's Disease, Parkinson's Disease and others.

  18. Green Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Collison, Melanie


    Green chemistry is the science of chemistry used in a way that will not use or create hazardous substances. Dr. Rui Resendes is working in this field at GreenCentre Canada, an offshoot of PARTEQ Innovations in Kingston, Ontario. GreenCentre's preliminary findings suggest their licensed product {sup S}witchable Solutions{sup ,} featuring 3 classes of solvents and a surfactant, may be useful in bitumen oil sands extraction.

  19. Cluster Chemistry

    Institute of Scientific and Technical Information of China (English)


    @@ Cansisting of eight scientists from the State Key Laboratory of Physical Chemistry of Solid Surfaces and Xiamen University, this creative research group is devoted to the research of cluster chemistry and creation of nanomaterials.After three-year hard work, the group scored a series of encouraging progresses in synthesis of clusters with special structures, including novel fullerenes, fullerene-like metal cluster compounds as well as other related nanomaterials, and their properties study.

  20. Cell aggregation and sedimentation. (United States)

    Davis, R H


    The aggregation of cells into clumps or flocs has been exploited for decades in such applications as biological wastewater treatment, beer brewing, antibiotic fermentation, and enhanced sedimentation to aid in cell recovery or retention. More recent research has included the use of cell aggregation and sedimentation to selectively separate subpopulations of cells. Potential biotechnological applications include overcoming contamination, maintaining plasmid-bearing cells in continuous fermentors, and selectively removing nonviable hybridoma cells from perfusion cultures.

  1. First-Principles Calculation of the Optical Properties of an Amphiphilic Cyanine Dye Aggregate

    NARCIS (Netherlands)

    Haverkort, Frank; Stradomska, Anna; Vries, Alex H. de; Knoester, Jasper


    Using a first-principles approach, we calculate electronic and optical properties of molecular aggregates of the dye amphi-pseudoisocyanine, whose structures we obtained from molecular dynamics (MD) simulations of the self-aggregation process. Using quantum chemistry methods, we translate the struct

  2. Optical dynamics of molecular aggregates

    NARCIS (Netherlands)

    de Boer, Steven


    The subject of this thesis is the spectroscopy and dynamics of molecular aggregates in amorphous matrices. Aggregates of three different molecules were studied. The molecules are depicted in Fig. (1.1). Supersaturated solutions of these molecules show aggregate formation. Aggregation is a process si

  3. Polymer Chemistry (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne


    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  4. Fractals of Silica Aggregates

    Institute of Scientific and Technical Information of China (English)

    ZhinhongLi; DongWu; Yuhansun; JunWang; YiLiu; BaozhongDong; Zhinhong


    Silica aggregates were prepared by base-catalyzed hydrolysis and condensation of alkoxides in alcohol.Polyethylene glycol(PEG) was used as organic modifier.The sols were characterized using Small Angle X-ray Scattering (SAXS) with synchrotron radiation as X-ray source.The structure evolution during the sol-gel process was determined and described in terms of the fractal geometry.As-produced silica aggregates were found to be mass fractals.The fractl dimensions spanned the regime 2.1-2.6 corresponding to more branched and compact structures.Both RLCA and Eden models dominated the kinetic growth under base-catalyzed condition.

  5. Erosion of dust aggregates

    CERN Document Server

    Seizinger, Alexander; Kley, Wilhelm


    Aims: The aim of this work is to gain a deeper insight into how much different aggregate types are affected by erosion. Especially, it is important to study the influence of the velocity of the impacting projectiles. We also want to provide models for dust growth in protoplanetary disks with simple recipes to account for erosion effects. Methods: To study the erosion of dust aggregates we employed a molecular dynamics approach that features a detailed micro-physical model of the interaction of spherical grains. For the first time, the model has been extended by introducing a new visco-elastic damping force which requires a proper calibration. Afterwards, different sample generation methods were used to cover a wide range of aggregate types. Results: The visco-elastic damping force introduced in this work turns out to be crucial to reproduce results obtained from laboratory experiments. After proper calibration, we find that erosion occurs for impact velocities of 5 m/s and above. Though fractal aggregates as ...

  6. Diffusion in aggregated soil.

    NARCIS (Netherlands)

    Rappoldt, C.


    The structure of an aggregated soil is characterized by the distribution of the distance from an arbitrary point in the soil to the nearest macropore or crack. From this distribution an equivalent model system is derived to which a diffusion model can be more easily applied. The model system consist

  7. Top Down Chemistry Versus Bottom up Chemistry (United States)

    Oka, Takeshi; Witt, Adolf N.


    The idea of interstellar top down chemistry (TDC), in which molecules are produced from decomposition of larger molecules and dust in contrast to ordinary bottom up chemistry (BUC) in which molecules are produced synthetically from smaller molecules and atoms in the ISM, has been proposed in the chemistry of PAH and carbon chain molecules both for diffusea,c and dense cloudsb,d. A simple and natural idea, it must have occurred to many people and has been in the air for sometime. The validity of this hypothesis is apparent for diffuse clouds in view of the observed low abundance of small molecules and its rapid decrease with molecular size on the one hand and the high column densities of large carbon molecules demonstrated by the many intense diffuse interstellar bands (DIBs) on the other. Recent identification of C60^+ as the carrier of 5 near infrared DIBs with a high column density of 2×1013 cm-2 by Maier and others confirms the TDC. This means that the large molecules and dust produced in the high density high temperature environment of circumstellar envelopes are sufficiently stable to survive decompositions due to stellar UV radiaiton, cosmic rays, C-shocks etc. for a long time (≥ 10^7 year) of their migration to diffuse clouds and seems to disagree with the consensus in the field of interstellar grains. The stability of molecules and aggregates in the diffuse interstellar medium will be discussed. Duley, W. W. 2006, Faraday Discuss. 133, 415 Zhen,J., Castellanos, P., Paardekooper, D. M., Linnartz, H., Tielens, A. G. G. M. 2014, ApJL, 797, L30 Huang, J., Oka, T. 2015, Mol. Phys. 113, 2159 Guzmán, V. V., Pety, J., Goicoechea, J. R., Gerin, M., Roueff, E., Gratier, P., Öberg, K. I. 2015, ApJL, 800, L33 L. Ziurys has sent us many papers beginning Ziurys, L. M. 2006, PNAS 103, 12274 indicating she had long been a proponent of the idea. Campbell, E. K., Holz, M., Maier, J. P., Gerlich, D., Walker, G. A. H., Bohlender, D, 2016, ApJ, in press Draine, B. T. 2003

  8. Decoration of silk fibroin by click chemistry for biomedical application. (United States)

    Zhao, Hongshi; Heusler, Eva; Jones, Gabriel; Li, Linhao; Werner, Vera; Germershaus, Oliver; Ritzer, Jennifer; Luehmann, Tessa; Meinel, Lorenz


    Silkfibroin (SF) has an excellent biocompatibility and its remarkable structure translates into exciting mechanical properties rendering this biomaterial particularly fascinating for biomedical application. To further boost the material's biological/preclinical impact, SF is decorated with biologics, typically by carbodiimide/N-hydroxysuccinimide coupling (EDC/NHS). For biomedical application, this chemistry challenges the product risk profile due to the formation of covalent aggregates, particularly when decoration is with biologics occurring naturally in humans as these aggregates may prime for autoimmunity. Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC; click chemistry) provides the necessary specificity to avoid such intermolecular, covalent aggregates. We present a blueprint outlining the necessary chemistry rendering SF compatible with CuAAC and with a particular focus on structural consequences. For that, the number of SF carboxyl groups (carboxyl-SF; required for EDC/NHS chemistry) or azido groups (azido-SF; required for click chemistry) was tailored by means of diazonium coupling of the SF tyrosine residues. Structural impact on SF and decorated SF was characterized by Fourier transform infrared spectroscopy (FTIR). The click chemistry yielded a better controlled product as compared to the EDC/NHS chemistry with no formation of inter- and intramolecular crosslinks as demonstrated for SF decorated with fluorescent model compounds or a biologic, fibroblast growth factor 2 (FGF2), respectively. In conclusion, SF can readily be translated into a scaffold compatible with click chemistry yielding decorated products with a better risk profile for biomedical application.

  9. Computational chemistry (United States)

    Arnold, J. O.


    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  10. Theoretical chemistry periodicities in chemistry and biology

    CERN Document Server

    Eyring, Henry


    Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

  11. Surface chemistry

    CERN Document Server

    Desai, KR


    The surface Chemistry of a material as a whole is crucially dependent upon the Nature and type of surfaces exposed on crystallites. It is therefore vitally important to independently Study different, well - defined surfaces through surface analytical techniques. In addition to composition and structure of surface, the subject also provides information on dynamic light scattering, micro emulsions, colloid Stability control and nanostructures. The present book endeavour to bring before the reader that the understanding and exploitation of Solid state phenomena depended largely on the ability to

  12. Hydrophobic aggregation of ultrafine kaolinite

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiao-ping; HU Yue-hua; LIU Run-Qing


    The hydrophobic aggregation of ultrafine kaolinite in cationic surfactant suspension was investigated by sedimentation test, zeta potential measurement and SEM observation. SEM images reveal that kaolinite particles show the self-aggregation of edge-face in acidic media, the aggregation of edge-face and edge-edge in neutral media, and the dispersion in alkaline media due to electrostatic repulsion. In the presence of the dodecylammonium acetate cationic surfactant and in neutral and alkaline suspension, the hydrophobic aggregation of face-face is demonstrated. The zeta potential of kaolinite increases with increasing the concentration of cationic surfactant. The small and loose aggregation at a low concentration but big and tight aggregation at a high concentration is presented At pH=7 alkyl quarterly amine salt CTAB has the best hydrophobic aggregation among three cationic surfactants, namely, dodecylammonium acetate, alkyl quarterly amine salts 1227 and CTAB.

  13. Absorption Spectra of Astaxanthin Aggregates

    CERN Document Server

    Olsina, Jan; Minofar, Babak; Polivka, Tomas; Mancal, Tomas


    Carotenoids in hydrated polar solvents form aggregates characterized by dramatic changes in their absorption spectra with respect to monomers. Here we analyze absorption spectra of aggregates of the carotenoid astaxanthin in hydrated dimethylsulfoxide. Depending on water content, two types of aggregates were produced: H-aggregates with absorption maximum around 390 nm, and J-aggregates with red-shifted absorption band peaking at wavelengths >550 nm. The large shifts with respect to absorption maximum of monomeric astaxanthin (470-495 nm depending on solvent) are caused by excitonic interaction between aggregated molecules. We applied molecular dynamics simulations to elucidate structure of astaxanthin dimer in water, and the resulting structure was used as a basis for calculations of absorption spectra. Absorption spectra of astaxanthin aggregates in hydrated dimethylsulfoxide were calculated using molecular exciton model with the resonance interaction energy between astaxanthin monomers constrained by semi-e...

  14. Characterization of Nanoparticle Aggregation in Biologically Relevant Fluids (United States)

    McEnnis, Kathleen; Lahann, Joerg

    Nanoparticles (NPs) are often studied as drug delivery vehicles, but little is known about their behavior in blood once injected into animal models. If the NPs aggregate in blood, they will be shunted to the liver or spleen instead of reaching the intended target. The use of animals for these experiments is costly and raises ethical questions. Typically dynamic light scattering (DLS) is used to analyze aggregation behavior, but DLS cannot be used because the components of blood also scatter light. As an alternative, a method of analyzing NPs in biologically relevant fluids such as blood plasma has been developed using nanoparticle tracking analysis (NTA) with fluorescent filters. In this work, NTA was used to analyze the aggregation behavior of fluorescent polystyrene NPs with different surface modifications in blood plasma. It was expected that different surface chemistries on the particles will change the aggregation behavior. The effect of the surface modifications was investigated by quantifying the percentage of NPs in aggregates after addition to blood plasma. The use of this characterization method will allow for better understanding of particle behavior in the body, and potential problems, specifically aggregation, can be addressed before investing in in vivo studies.

  15. Science Update: Inorganic Chemistry (United States)

    Rawls, Rebecca


    This first in a series of articles describing the state of the art of various branches of chemistry reviews inorganic chemistry, including bioinorganic, photochemistry, organometallic, and solid state chemistries. (SL)

  16. Astronomical chemistry. (United States)

    Klemperer, William


    The discovery of polar polyatomic molecules in higher-density regions of the interstellar medium by means of their rotational emission detected by radioastronomy has changed our conception of the universe from essentially atomic to highly molecular. We discuss models for molecule formation, emphasizing the general lack of thermodynamic equilibrium. Detailed chemical kinetics is needed to understand molecule formation as well as destruction. Ion molecule reactions appear to be an important class for the generally low temperatures of the interstellar medium. The need for the intrinsically high-quality factor of rotational transitions to definitively pin down molecular emitters has been well established by radioastronomy. The observation of abundant molecular ions both positive and, as recently observed, negative provides benchmarks for chemical kinetic schemes. Of considerable importance in guiding our understanding of astronomical chemistry is the fact that the larger molecules (with more than five atoms) are all organic.

  17. Combustion chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N.J. [Lawrence Berkeley Laboratory, CA (United States)


    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  18. Environmental chemistry. Seventh edition

    Energy Technology Data Exchange (ETDEWEB)

    Manahan, S.E. [Univ. of Missouri, Columbia, MO (United States)


    This book presents a basic understanding of environmental chemistry and its applications. In addition to providing updated materials in this field, the book emphasizes the major concepts essential to the practice of environmental chemistry. Topics of discussion include the following: toxicological chemistry; toxicological chemistry of chemical substances; chemical analysis of water and wastewater; chemical analysis of wastes and solids; air and gas analysis; chemical analysis of biological materials and xenobiotics; fundamentals of chemistry; and fundamentals of organic chemistry.

  19. Advanced Chemistry Laboratory (United States)

    Federal Laboratory Consortium — Description/History: Chemistry laboratory The Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  20. Science Update: Inorganic Chemistry. (United States)

    Rawls, Rebecca


    Describes areas of inorganic chemistry which have changed dramatically in the past year or two, including photochemistry, electrochemistry, organometallic complexes, inorganic reaction theory, and solid state chemistry. (DS)

  1. The Lanthanide Contraction beyond Coordination Chemistry. (United States)

    Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K; Olvera de la Cruz, Monica; Qiao, Baofu; Ellis, Ross J


    The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic liquid. The lanthanide contraction perturbs the weak interactions between molecular aggregates that drive mesoscale assembly and emergent behavior. The weak interactions correlate with lanthanide ion transport properties, suggesting new strategies for rare-earth separation that exploit forces outside of the coordination sphere.

  2. Novel aspects of platelet aggregation

    Directory of Open Access Journals (Sweden)

    Roka-Moya Y. M.


    Full Text Available The platelet aggregation is an important process, which is critical for the hemostatic plug formation and thrombosis. Recent studies have shown that the platelet aggregation is more complex and dynamic than it was previously thought. There are several mechanisms that can initiate the platelet aggregation and each of them operates under specific conditions in vivo. At the same time, the influence of certain plasma proteins on this process should be considered. This review intends to summarize the recent data concerning the adhesive molecules and their receptors, which provide the platelet aggregation under different conditions.

  3. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WU Feng-Min; WU Li-Li; LU Hang-Jun; LI Qiao-Wen; YE Gao-Xiang


    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω the fractal dimension decreases with increasing ω, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  4. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WUFeng-Min; WULi-Li; LUHang-Jun; LIQiao-Wen; YEGao-Xiang


    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω; thefractal dimension decreases with increasing ω;, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  5. Platelet aggregation following trauma

    DEFF Research Database (Denmark)

    Windeløv, Nis A; Sørensen, Anne M; Perner, Anders


    We aimed to elucidate platelet function in trauma patients, as it is pivotal for hemostasis yet remains scarcely investigated in this population. We conducted a prospective observational study of platelet aggregation capacity in 213 adult trauma patients on admission to an emergency department (ED......). Inclusion criteria were trauma team activation and arterial cannula insertion on arrival. Blood samples were analyzed by multiple electrode aggregometry initiated by thrombin receptor agonist peptide 6 (TRAP) or collagen using a Multiplate device. Blood was sampled median 65 min after injury; median injury...... severity score (ISS) was 17; 14 (7%) patients received 10 or more units of red blood cells in the ED (massive transfusion); 24 (11%) patients died within 28 days of trauma: 17 due to cerebral injuries, four due to exsanguination, and three from other causes. No significant association was found between...

  6. Intra-aggregate CO2 enrichment: a modelling approach for aerobic soils

    Directory of Open Access Journals (Sweden)

    H. Schack-Kirchner


    Full Text Available CO2 concentration gradients inside soil aggregates, caused by the respiration of soil microorganisms and fungal hyphae, might lead to variations in the soil solution chemistry on a mm-scale, and to an underestimation of the CO2 storage. But, up to now, there seems to be no feasible method for measuring CO2 inside natural aggregates with sufficient spatial resolution. We combined a one-dimensional model for gas diffusion in the inter-aggregate pore-space with a cylinder diffusion model, simulating the consumption/production and diffusion of O2 and CO2 inside soil aggregates with air- and water-filled pores. Our model predicts that for aerobic respiration (respiratory quotient = 1 the intra-aggregate increase in the CO2 partial pressure can never be higher than 0.9 kPa for siliceous, and 0.08 kPa for calcaric aggregates, independent of the level of water-saturation. This suggests that only for siliceous aggregates CO2 produced by aerobic respiration might cause a high small-scale spatial variability in the soil solution chemistry. In calcaric aggregates, however, the contribution of carbonate species to the CO2 transport should lead to secondary carbonates on the aggregate surfaces. As regards the total CO2 storage in aerobic soils, both siliceous and calcaric, the effect of intra-aggregate CO2 gradients seems to be negligible. To assess the effect of anaerobic respiration on the intra-aggregate CO2 gradients, the development of a device for measuring CO2 on a mm-scale in soils is indispensable.

  7. Aggregate resources in the Netherlands

    NARCIS (Netherlands)

    Meulen, M.J. van der; Gessel, S.F. van; Veldkamp, J.G.


    We have built a 3D lithological model of the Netherlands, for the purpose of mapping on-land aggregate resources down to 50 m below the surface. The model consists of voxel cells (1000 · 1000 · 1 m), with lithological composition and aggregate content estimates as primary attributes. These attribute

  8. Exciton dynamics in molecular aggregates

    NARCIS (Netherlands)

    Augulis, R.; Pugžlys, A.; Loosdrecht, P.H.M. van; Pugzlys, A


    The fundamental aspects of exciton dynamics in double-wall cylindrical aggregates of cyanine dyes are studied by means of frequency resolved femtosecond pump-probe spectroscopy. The collective excitations of the aggregates, resulting from intermolecular dipole-dipole interactions have the characteri

  9. Dye Aggregation in Ink Jet

    Institute of Scientific and Technical Information of China (English)

    Thomas Paul; Sarfraz Hussain


    Dye aggregation has long been recognised as a key factor in performance, and this is no less so in ink jet applications. The aggregation state was shown to be important in many different areas ranging from the use of dyes in photodynamic therapies all the way to colorants for dying of fabrics. Therefore different methods to investigate dye association qualitatively and quantitatively were developed. A simple procedure to study aggregation could be a useful tool to characterise dyes for ink jet printing. It is critically reviewed the methods used to study dye aggregation, and discussed some of the main conclusions. This will be illustrated by examples of ink jet dye aggregation and its study in aqueous and ink systems. The results are used to correlate the solution behaviour of dyes with their print performance.


    Institute of Scientific and Technical Information of China (English)

    F.; Einar; Kruis


    A new procedure was developed for estimating the effective collision diameter of an aggregate composed of primary particles of any size. The coagulation coefficient of two oppositely charged particles was measured experimentally and compared with classic Fuchs theory, including a new method to account for particle non-sphericity. A second set of experiments were performed on well-defined nanoparticle aggregates at different stages of sintering, i.e. from the aggregate to the fully sintered stage. Here, electrical mobility was used to characterize the particle drag. The aggregates are being built from two different size-fractionated nanoparticle aerosols, the non-aggregated particles are discarded by an electrofilter and then they are passed through a furnace at concentrations low enough not to induce coagulation.

  11. Optical monitoring of particle aggregates

    Institute of Scientific and Technical Information of China (English)

    John Gregory


    Methods for monitoring particle aggregation are briefly reviewed. Most of these techniques are based on some form of light scattering and may be greatly dependent on the optical properties of aggregates, which are not generally known. As fractal aggregates grow larger their density can become very low and this has important practical consequences for light scattering. For instance, the scattering coefficient may be much less than for solid objects, which means that the aggregates can appear much smaller than their actual size by a light transmission method. Also, for low-density objects, a high proportion of the scattered light energy is within a small angle of the incident beam, which may also be relevant for measurements with aggregates.Using the 'turbidity fluctuation' technique as an example, it is shown how the apparent size of hydroxide flocs depends mainly on the included impurity particles, rather than the hydroxide precipitate itself. Results using clay suspensions with hydrolyzing coagulants and under are discussed.

  12. Molecular aggregation of humic substances (United States)

    Wershaw, R. L.


    Humic substances (HS) form molecular aggregates in solution and on mineral surfaces. Elucidation of the mechanism of formation of these aggregates is important for an understanding of the interactions of HS in soils arid natural waters. The HS are formed mainly by enzymatic depolymerization and oxidation of plant biopolymers. These reactions transform the aromatic and lipid plant components into amphiphilic molecules, that is, molecules that consist of separate hydrophobic (nonpolar) and hydrophilic (polar) parts. The nonpolar parts of the molecules are composed of relatively unaltered segments of plant polymers and the polar parts of carboxylic acid groups. These amphiphiles form membrane-like aggregates on mineral surfaces and micelle-like aggregates in solution. The exterior surfaces of these aggregates are hydrophilic, and the interiors constitute separate hydrophobic liquid-like phases.

  13. Supramolecular chemistry-general principles and selected examples from anion recognition and metallosupramolecular chemistry. (United States)

    Albrecht, Markus


    This review gives an introduction into supramolecular chemistry describing in the first part general principles, focusing on terms like noncovalent interaction, molecular recognition, self-assembly, and supramolecular function. In the second part those will be illustrated by simple examples from our laboratories. Supramolecular chemistry is the science that bridges the gap between the world of molecules and nanotechnology. In supramolecular chemistry noncovalent interactions occur between molecular building blocks, which by molecular recognition and self-assembly form (functional) supramolecular entities. It is also termed the "chemistry of the noncovalent bond." Molecular recognition is based on geometrical complementarity based on the "key-and-lock" principle with nonshape-dependent effects, e.g., solvatization, being also highly influential. Self-assembly leads to the formation of well-defined aggregates. Hereby the overall structure of the target ensemble is controlled by the symmetry features of the certain building blocks. Finally, the aggregates can possess special properties or supramolecular functions, which are only found in the ensemble but not in the participating molecules. This review gives an introduction on supramolecular chemistry and illustrates the fundamental principles by recent examples from our group.

  14. Orthogonal flexible Rydberg aggregates (United States)

    Leonhardt, K.; Wüster, S.; Rost, J. M.


    We study the link between atomic motion and exciton transport in flexible Rydberg aggregates, assemblies of highly excited light alkali-metal atoms, for which motion due to dipole-dipole interaction becomes relevant. In two one-dimensional atom chains crossing at a right angle adiabatic exciton transport is affected by a conical intersection of excitonic energy surfaces, which induces controllable nonadiabatic effects. A joint exciton-motion pulse that is initially governed by a single energy surface is coherently split into two modes after crossing the intersection. The modes induce strongly different atomic motion, leading to clear signatures of nonadiabatic effects in atomic density profiles. We have shown how this scenario can be exploited as an exciton switch, controlling direction and coherence properties of the joint pulse on the second of the chains [K. Leonhardt et al., Phys. Rev. Lett. 113, 223001 (2014), 10.1103/PhysRevLett.113.223001]. In this article we discuss the underlying complex dynamics in detail, characterize the switch, and derive our isotropic interaction model from a realistic anisotropic one with the addition of a magnetic bias field.

  15. Orthogonal flexible Rydberg aggregates

    CERN Document Server

    Leonhardt, K; Rost, J M


    We study the link between atomic motion and exciton transport in flexible Rydberg aggregates, assemblies of highly excited light alkali atoms, for which motion due to dipole-dipole interaction becomes relevant. In two one-dimensional atom chains crossing at a right angle adiabatic exciton transport is affected by a conical intersection of excitonic energy surfaces, which induces controllable non-adiabatic effects. A joint exciton/motion pulse that is initially governed by a single energy surface is coherently split into two modes after crossing the intersection. The modes induce strongly different atomic motion, leading to clear signatures of non-adiabatic effects in atomic density profiles. We have shown how this scenario can be exploited as an exciton switch, controlling direction and coherence properties of the joint pulse on the second of the chains [K.~Leonhardt {\\it et al.}, Phys.~Rev.~Lett. {\\bf 113} 223001 (2014)]. In this article we discuss the underlying complex dynamics in detail, characterise the ...

  16. Perspectives on Preference Aggregation. (United States)

    Regenwetter, Michel


    For centuries, the mathematical aggregation of preferences by groups, organizations, or society itself has received keen interdisciplinary attention. Extensive theoretical work in economics and political science throughout the second half of the 20th century has highlighted the idea that competing notions of rational social choice intrinsically contradict each other. This has led some researchers to consider coherent democratic decision making to be a mathematical impossibility. Recent empirical work in psychology qualifies that view. This nontechnical review sketches a quantitative research paradigm for the behavioral investigation of mathematical social choice rules on real ballots, experimental choices, or attitudinal survey data. The article poses a series of open questions. Some classical work sometimes makes assumptions about voter preferences that are descriptively invalid. Do such technical assumptions lead the theory astray? How can empirical work inform the formulation of meaningful theoretical primitives? Classical "impossibility results" leverage the fact that certain desirable mathematical properties logically cannot hold in all conceivable electorates. Do these properties nonetheless hold true in empirical distributions of preferences? Will future behavioral analyses continue to contradict the expectations of established theory? Under what conditions do competing consensus methods yield identical outcomes and why do they do so?

  17. Green chemistry: A tool in Pharmaceutical Chemistry


    Smita Talaviya; Falguni Majumdar


    Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceut...

  18. From Matter to Life:Chemistry?Chemistry!

    Institute of Scientific and Technical Information of China (English)

    Jean-Marie; LEHN


    1 Results Animate as well as inanimate matter,living organisms as well as materials,are formed of molecules and of the organized entities resulting from the interaction of molecules with each other.Chemistry provides the bridge between the molecules of inanimate matter and the highly complex molecular architectures and systems which make up living organisms. Synthetic chemistry has developed a very powerful set of methods for constructing ever more complex molecules.Supramolecular chemistry seeks to con...

  19. Dependability in Aggregation by Averaging

    CERN Document Server

    Jesus, Paulo; Almeida, Paulo Sérgio


    Aggregation is an important building block of modern distributed applications, allowing the determination of meaningful properties (e.g. network size, total storage capacity, average load, majorities, etc.) that are used to direct the execution of the system. However, the majority of the existing aggregation algorithms exhibit relevant dependability issues, when prospecting their use in real application environments. In this paper, we reveal some dependability issues of aggregation algorithms based on iterative averaging techniques, giving some directions to solve them. This class of algorithms is considered robust (when compared to common tree-based approaches), being independent from the used routing topology and providing an aggregation result at all nodes. However, their robustness is strongly challenged and their correctness often compromised, when changing the assumptions of their working environment to more realistic ones. The correctness of this class of algorithms relies on the maintenance of a funda...

  20. Aggregating and Disaggregating Flexibility Objects

    DEFF Research Database (Denmark)

    Siksnys, Laurynas; Valsomatzis, Emmanouil; Hose, Katja


    In many scientific and commercial domains we encounter flexibility objects, i.e., objects with explicit flexibilities in a time and an amount dimension (e.g., energy or product amount). Applications of flexibility objects require novel and efficient techniques capable of handling large amounts...... energy data management and discuss strategies for aggregation and disaggregation of flex-objects while retaining flexibility. This paper further extends these approaches beyond flex-objects originating from energy consumption by additionally considering flex-objects originating from energy production...... and aiming at energy balancing during aggregation. In more detail, this paper considers the complete life cycle of flex-objects: aggregation, disaggregation, associated requirements, efficient incremental computation, and balance aggregation techniques. Extensive experiments based on real-world data from...

  1. Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry. (United States)

    Lehn, Jean-Marie


    Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

  2. Green chemistry: A tool in Pharmaceutical Chemistry

    Directory of Open Access Journals (Sweden)

    Smita Talaviya


    Full Text Available Green chemistry expresses an area of research developing from scientific discoveries about pollution awareness and it utilizes a set of principles that reduces or eliminates the use or generation of hazardous substances in all steps of particular synthesis or process. Chemists and medicinal scientists can greatly reduce the risk to human health and the environment by following all the valuable principles of green chemistry. The most simple and direct way to apply green chemistry in pharmaceuticals is to utilize eco-friendly, non-hazardous, reproducible and efficient solvents and catalysts in synthesis of drug molecules, drug intermediates and in researches involving synthetic chemistry. Microwave synthesis is also an important tool of green chemistry by being an energy efficient process.

  3. Environmental chemistry: Volume A

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.


    This is an extensive introduction to environmental chemistry for engineering and chemical professionals. The contents of Volume A include a brief review of basic chemistry prior to coverage of litho, atmo, hydro, pedo, and biospheres.

  4. Advanced Chemistry Laboratory (United States)

    Federal Laboratory Consortium — Description/History: Chemistry laboratoryThe Advanced Chemistry Laboratory (ACL) is a unique facility designed for working with the most super toxic compounds known...

  5. Organometallic Chemistry of Molybdenum. (United States)

    Lucas, C. Robert; Walsh, Kelly A.


    Suggests ways to avoid some of the problems students have learning the principles of organometallic chemistry. Provides a description of an experiment used in a third-year college chemistry laboratory on molybdenum. (TW)

  6. Chemistry for Potters. (United States)

    Denio, Allen A.


    Relates pottery making to chemistry by providing chemical information about clay, its origin, composition, properties, and changes that occur during firing; also describes glaze compositions, examples of redox chemistry, salt glazing, crystalline glazes, and problems in toxicity. (CS)


    Institute of Scientific and Technical Information of China (English)


    @@Chinese Journal of Chemistry is an international journal published in English by the Chinese Chemical Society with its editorial office hosted by Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences.

  8. Ash Aggregates in Proximal Settings (United States)

    Porritt, L. A.; Russell, K.


    Ash aggregates are thought to have formed within and been deposited by the eruption column and plume and dilute density currents and their associated ash clouds. Moist, turbulent ash clouds are considered critical to ash aggregate formation by facilitating both collision and adhesion of particles. Consequently, they are most commonly found in distal deposits. Proximal deposits containing ash aggregates are less commonly observed but do occur. Here we describe two occurrences of vent proximal ash aggregate-rich deposits; the first within a kimberlite pipe where coated ash pellets and accretionary lapilli are found within the intra-vent sequence; and the second in a glaciovolcanic setting where cored pellets (armoured lapilli) occur within Diamond Mine, Canada, are the residual deposits within the conduit and vent of the volcano and are characterised by an abundance of ash aggregates. Coated ash pellets are dominant but are followed in abundance by ash pellets, accretionary lapilli and rare cored pellets. The coated ash pellets typically range from 1 - 5 mm in diameter and have core to rim ratios of approximately 10:1. The formation and preservation of these aggregates elucidates the style and nature of the explosive phase of kimberlite eruption at A418 (and other pipes?). First, these pyroclasts dictate the intensity of the kimberlite eruption; it must be energetic enough to cause intense fragmentation of the kimberlite to produce a substantial volume of very fine ash (sustained plume attended by concomitant production of pyroclastic density currents. The size and internal structure of the armoured lapilli provide constraints on the nature of the initial explosive phase of eruption at Kima'Kho. Their proximity to the vent also indicates rapid aggregation within the eruption plume. Within both sequences rapid aggregation of ash particles occurred in proximity to the vent. However, the conditions were substantially different leading to the production of armoured

  9. Aggregation-induced emission—fluorophores and applications (United States)

    Hong, Yuning


    Aggregation-induced emission (AIE) is a novel photophysical phenomenon found in a group of luminogens that are not fluorescent in solution but are highly emissive in the aggregate or solid state. Since the first publication of AIE luminogens in 2001, AIE has become a hot research area in which the number of research papers regarding new AIE molecules and their applications has been increasing in an exponential manner. Thomson Reuters Essential Science Indicators ranked AIE no.3 among the Top 100 Research Frontiers in the field of Chemistry and Materials Science in 2013. In this review, I will give a general introduction of the AIE phenomenon, discuss the structure-property relationship of the AIE lumingens and summarize the recent progress in the applications including as light-emitting materials in optoelectronics, as chemosensors and bioprobes, and for bioimaging (total 69 references cited).

  10. Organic chemistry experiment

    Energy Technology Data Exchange (ETDEWEB)

    Mun, Seok Sik


    This book deals with organic chemistry experiments, it is divided five chapters, which have introduction, the way to write the experiment report and safety in the laboratory, basic experiment technic like recrystallization and extraction, a lot of organic chemistry experiments such as fischer esterification, ester hydrolysis, electrophilic aromatic substitution, aldol reaction, benzoin condensation, wittig reaction grignard reaction, epoxidation reaction and selective reduction. The last chapter introduces chemistry site on the internet and way to find out reference on chemistry.

  11. Green Chemistry and Education. (United States)

    Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.


    Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)

  12. Fractal Aggregates in Tennis Ball Systems (United States)

    Sabin, J.; Bandin, M.; Prieto, G.; Sarmiento, F.


    We present a new practical exercise to explain the mechanisms of aggregation of some colloids which are otherwise not easy to understand. We have used tennis balls to simulate, in a visual way, the aggregation of colloids under reaction-limited colloid aggregation (RLCA) and diffusion-limited colloid aggregation (DLCA) regimes. We have used the…

  13. A Functional Reference Architecture for Aggregators

    DEFF Research Database (Denmark)

    Bondy, Daniel Esteban Morales; Heussen, Kai; Gehrke, Oliver;


    Aggregators are considered to be a key enabling technology for harvesting power system services from distributed energy resources (DER). As a precondition for more widespread use of aggregators in power systems, methods for comparing and validating aggregator designs must be established. This paper...... proposes a functional reference architecture for aggregators to address this requirement....

  14. Hierarchical organization in aggregates of protein molecules

    DEFF Research Database (Denmark)

    Bohr, Henrik; Kyhle, Anders; Sørensen, Alexis Hammer


    The aggregation of proteins into small clusters is studied by atomic force and electron microscopy. Scaling laws and fractal behaviour in the growth of the aggregates and in the correlation between aggregates is seen. A phase diagram of the aggregation process where the protonic concentration...

  15. An exact approach for aggregated formulations

    DEFF Research Database (Denmark)

    Gamst, Mette; Spoorendonk, Simon; Røpke, Stefan

    optimality cannot be guaranteed by branching on aggregated variables. We present a generic exact solution method to remedy the drawbacks of aggregation. It combines the original and aggregated formulations and applies Benders' decomposition. We apply the method to the Split Delivery Vehicle Routing Problem.......Aggregating formulations is a powerful approach for problems to take on tractable forms. Aggregation may lead to loss of information, i.e. the aggregated formulation may be an approximation of the original problem. In branch-and-bound context, aggregation can also complicate branching, e.g. when...

  16. Surface chemistry essentials

    CERN Document Server

    Birdi, K S


    Surface chemistry plays an important role in everyday life, as the basis for many phenomena as well as technological applications. Common examples range from soap bubbles, foam, and raindrops to cosmetics, paint, adhesives, and pharmaceuticals. Additional areas that rely on surface chemistry include modern nanotechnology, medical diagnostics, and drug delivery. There is extensive literature on this subject, but most chemistry books only devote one or two chapters to it. Surface Chemistry Essentials fills a need for a reference that brings together the fundamental aspects of surface chemistry w

  17. The New Color of Chemistry: Green Chemistry

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


    Full Text Available Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provide a solution for this requirement, green chemistry rules and under standings should be primarily taken in the university curriculum and at all educational levels.

  18. Erythrocyte aggregation: Basic aspects and clinical importance


    Oğuz K. Başkurt; Meiselman, Herbert J.


    Red blood cells (RBC) aggregate to form two- and three-dimensional structures when suspended in aqueous solutions containing large plasma proteins or polymers; this aggregation is reversible and shear dependent (i.e., dispersed at high shear and reformed at low or stasis). The extent of aggregation is the main determinant of low shear blood viscosity, thus predicting an inverse relationship between aggregation and in vivo blood flow. However, the effects of aggregation on hemodynamic mechanis...

  19. Molecular Aggregation in Disodium Cromoglycate (United States)

    Singh, Gautam; Agra-Kooijman, D.; Collings, P. J.; Kumar, Satyendra


    Details of molecular aggregation in the mesophases of the anti-asthmatic drug disodium cromoglycate (DSCG) have been studied using x-ray synchrotron scattering. The results show two reflections, one at wide angles corresponding to π-π stacking (3.32 å) of molecules, and the other at small angles which is perpendicular to the direction of molecular stacking and corresponds to the distance between the molecular aggregates. The latter varies from 35 - 41 å in the nematic (N) phase and 27 -- 32 å in the columnar (M) phase. The temperature evolution of the stack height, positional order correlations in the lateral direction, and orientation order parameter were determined in the N, M, and biphasic regions. The structure of the N and M phases and the nature of the molecular aggregation, together with their dependence on temperature and concentration, will be presented.


    Directory of Open Access Journals (Sweden)

    Jing Hu


    Full Text Available As a composite material, the performance of concrete materials can be expected to depend on the properties of the interfaces between its two major components, aggregate and cement paste. The microstructure at the interfacial transition zone (ITZ is assumed to be different from the bulk material. In general, properties of conventional concrete have been found favoured by optimum packing density of the aggregate. Particle size is a common denominator in such studies. Size segregation in the ITZ among the binder particles in the fresh state, observed in simulation studies by concurrent algorithm-based SPACE system, additionally governs density as well as physical bonding capacity inside these shell-like zones around aggregate particles. These characteristics have been demonstrated qualitatively pertaining also after maturation of the concrete. Such properties of the ITZs have direct impact on composite properties. Despite experimental approaches revealed effects of aggregate grain shape on different features of material structure (among which density, and as a consequence on mechanical properties, it is still an underrated factor in laboratory studies, probably due to the general feeling that a suitable methodology for shape characterization is not available. A scientific argument hindering progress is the interconnected nature of size and shape. Presently, a practical problem preventing shape effects to be emphasized is the limitation of most computer simulation systems in concrete technology to spherical particles. New developments at Delft University of Technology will make it possible in the near future to generate jammed states, or other high-density fresh particle mixtures of non-spherical particles, which thereupon can be subjected to hydration algorithms. This paper will sketch the outlines of a methodological approach for shape assessment of loose (non-embedded aggregate grains, and demonstrate its use for two types of aggregate, allowing

  1. Environmentalism and natural aggregate mining (United States)

    Drew, L.J.; Langer, W.H.; Sachs, J.S.


    Sustaining a developed economy and expanding a developing one require the use of large volumes of natural aggregate. Almost all human activity (commercial, recreational, or leisure) is transacted in or on facilities constructed from natural aggregate. In our urban and suburban worlds, we are almost totally dependent on supplies of water collected behind dams and transported through aqueducts made from concrete. Natural aggregate is essential to the facilities that produce energy-hydroelectric dams and coal-fired powerplants. Ironically, the utility created for mankind by the use of natural aggregate is rarely compared favorably with the environmental impacts of mining it. Instead, the empty quarries and pits are seen as large negative environmental consequences. At the root of this disassociation is the philosophy of environmentalism, which flavors our perceptions of the excavation, processing, and distribution of natural aggregate. The two end-member ideas in this philosophy are ecocentrism and anthropocentrism. Ecocentrism takes the position that the natural world is a organism whose arteries are the rivers-their flow must not be altered. The soil is another vital organ and must not be covered with concrete and asphalt. The motto of the ecocentrist is "man must live more lightly on the land." The anthropocentrist wants clean water and air and an uncluttered landscape for human use. Mining is allowed and even encouraged, but dust and noise from quarry and pit operations must be minimized. The large volume of truck traffic is viewed as a real menace to human life and should be regulated and isolated. The environmental problems that the producers of natural aggregate (crushed stone and sand and gravel) face today are mostly difficult social and political concerns associated with the large holes dug in the ground and the large volume of heavy truck traffic associated with quarry and pit operations. These concerns have increased in recent years as society's demand for

  2. Aggregating energy flexibilities under constraints

    DEFF Research Database (Denmark)

    Valsomatzis, Emmanouil; Pedersen, Torben Bach; Abello, Alberto


    The flexibility of individual energy prosumers (producers and/or consumers) has drawn a lot of attention in recent years. Aggregation of such flexibilities provides prosumers with the opportunity to directly participate in the energy market and at the same time reduces the complexity of scheduling...... the energy units. However, aggregated flexibility should support normal grid operation. In this paper, we build on the flex-offer (FO) concept to model the inherent flexibility of a prosumer (e.g., a single flexible consumption device such as a clothes washer). An FO captures flexibility in both time...

  3. Balancing energy flexibilities through aggregation

    DEFF Research Database (Denmark)

    Valsomatzis, Emmanouil; Hose, Katja; Pedersen, Torben Bach


    One of the main goals of recent developments in the Smart Grid area is to increase the use of renewable energy sources. These sources are characterized by energy fluctuations that might lead to energy imbalances and congestions in the electricity grid. Exploiting inherent flexibilities, which exist...... in both energy production and consumption, is the key to solving these problems. Flexibilities can be expressed as flex-offers, which due to their high number need to be aggregated to reduce the complexity of energy scheduling. In this paper, we discuss balance aggregation techniques that already during...

  4. The New Color of Chemistry: Green Chemistry


    Zuhal GERÇEK


    Green chemistry which is the new application of chemistry rules provides solutions to problems that mankind is faced with climate changes, sustainable agriculture, energy, toxics, depletion of natural sources e.g. designing new chemicals and processes that production and utilization of hazardous matters. So, it is the indispensible tool for sustainable development. Current and future chemists should consider the human health and ecological issues in their professional life. In order to provid...

  5. Ion aggregation in high salt solutions. VI. Spectral graph analysis of chaotropic ion aggregates (United States)

    Choi, Jun-Ho; Cho, Minhaeng


    Carrying out molecular dynamics simulations and graph theoretical analyses of high salt solutions, and comparing numerically calculated vibrational spectroscopic properties of water with femtosecond IR pump-probe experimental data, we have recently found that ions in high salt solutions can form two morphologically different ion aggregate structures. In the cases of NaCl solutions, Na+ and Cl- tend to form compact cluster-like ion aggregate in high NaCl solutions. In contrast, K+ and SCN- form spatially extended network-like ion aggregates that also exhibit a percolating network behavior. Interestingly, a variety of graph theoretical properties of ion network in high KSCN solutions were found to be very similar to those of water H-bonding network. It was shown that spatially extended ion networks in high KSCN solutions are completely intertwined with water H-bonding networks, which might be the key to understand the high solubility of thiocyanate salts in water. Here, we further consider two salts that have been extensively studied experimentally by using femtosecond IR pump-probe technique, which are NaClO4 and NaBF4. Note that ClO4 - and BF4 - are well-known chaotropic ions that have been believed to behave as water structure breaker. To understand how such chaotropic ions affect water H-bonding structure, we carried out spectral graph analyses of molecular dynamics simulation data of these aqueous solutions. Graph spectra and degree distribution of ion aggregates formed in high NaBF4 and NaClO4 solutions show that these chaotropic anions also have a strong propensity to form ion networks. The fact that salts containing chaotropic ions like SCN-, BF4 - , and ClO4 - have very high solubility limits in water could then be related to our observation that these chaotropic anions with counter cations in high salt solutions are capable of forming intricate ion networks intertwined with water H-bonding networks. We anticipate that the present graph theoretical analysis

  6. Chirality affects aggregation kinetics of single-walled carbon nanotubes. (United States)

    Khan, Iftheker A; Afrooz, A R M Nabiul; Flora, Joseph R V; Schierz, P Ariette; Ferguson, P Lee; Sabo-Attwood, Tara; Saleh, Navid B


    Aggregation kinetics of chiral-specific semiconducting single-walled carbon nanotubes (SWNTs) was systematically studied through time-resolved dynamic light scattering. Varied monovalent (NaCl) and divalent (CaCl(2)) electrolyte composition was used as background solution chemistry. Suwannee River humic acid (SRHA) was used to study the effects of natural organic matter on chirally separated SWNT aggregation. Increasing salt concentration and introduction of divalent cations caused aggregation of SWNT clusters by suppressing the electrostatic repulsive interaction from the oxidized surfaces. The (6,5) SWNTs, i.e., SG65, with relatively lower diameter tubes compared to (7,6), i.e., SG76, showed substantially higher stability (7- and 5-fold for NaCl and CaCl(2), respectively). The critical coagulation concentration (CCC) values were 96 and 13 mM NaCl in the case of NaCl and 2.8 and 0.6 mM CaCl(2) for SG65 and SG76, respectively. The increased tube diameter for (7,6) armchair SWNTs likely presented with higher van der Waals interaction and thus increased the aggregation propensity substantially. The presence of SRHA enhanced SWNT stability in divalent CaCl(2) environment through steric interaction from adsorbed humic molecules; however showed little or no effects for monovalent NaCl. The mechanism of aggregation-describing favorable interaction tendencies for (7,6) SWNTs-is probed through ab initio molecular modeling. The results suggest that SWNT stability can be chirality dependent in typical aquatic environment.

  7. Quantitative investigations of aggregate systems. (United States)

    Rai, D K; Beaucage, G; Jonah, E O; Britton, D T; Sukumaran, S; Chopra, S; Gonfa, G Goro; Härting, M


    Nanomaterials with disordered, ramified structure are increasingly being used for applications where low cost and enhanced performance are desired. A particular example is the use in printed electronics of inorganic conducting and semiconducting nanoparticles. The electrical, as well as other physical properties depend on the arrangement and connectivity of the particles in such aggregate systems. Quantification of aggregate structure and development of structure/property relationships is difficult and progress in the application of these materials in electronics has mainly been empirical. In this paper, a scaling model is used to parameterize the structure of printed electronic layers. This model has chiefly been applied to polymers but surprisingly it shows applicability to these nanolayers. Disordered structures of silicon nanoparticles forming aggregates are investigated using small angle x-ray scattering coupled with the scaling model. It is expected that predictions using these structural parameters can be made for electrical properties. The approach may have wide use in understanding and designing nano-aggregates for electronic devices.

  8. Diversity, intent, and aggregated search

    NARCIS (Netherlands)

    M. de Rijke


    Diversity, intent and aggregated search are three core retrieval concepts that receive significant attention. In search result diversification one typically considers the relevance of a document in light of other retrieved documents. The goal is to identify the probable "aspects" of an ambiguous que

  9. Cyclosporine A enhances platelet aggregation. (United States)

    Grace, A A; Barradas, M A; Mikhailidis, D P; Jeremy, J Y; Moorhead, J F; Sweny, P; Dandona, P


    In view of the reported increase in thromboembolic episodes following cyclosporine A (CyA) therapy, the effect of this drug on platelet aggregation and thromboxane A2 release was investigated. The addition of CyA, at therapeutic concentrations to platelet rich plasma from normal subjects in vitro was found to increase aggregation in response to adrenaline, collagen and ADP. Ingestion of CyA by healthy volunteers was also associated with enhanced platelet aggregation. The CyA-mediated enhancement of aggregation was further enhanced by the addition in vitro of therapeutic concentrations of heparin. Platelets from renal allograft recipients treated with CyA also showed hyperaggregability and increased thromboxane A2 release, which were most marked at "peak" plasma CyA concentration and less so at "trough" concentrations. Platelet hyperaggregability in renal allograft patients on long-term CyA therapy tended to revert towards normal following the replacement of CyA with azathioprine. Hypertensive patients with renal allografts on nifedipine therapy had normal platelet function and thromboxane release in spite of CyA therapy. These observations suggest that CyA-mediated platelet activation may contribute to the pathogenesis of the thromboembolic phenomena associated with the use of this drug. The increased release of thromboxane A2 (a vasoconstrictor) may also play a role in mediating CyA-related nephrotoxicity.

  10. Sequence-dependent internalization of aggregating peptides. (United States)

    Couceiro, José R; Gallardo, Rodrigo; De Smet, Frederik; De Baets, Greet; Baatsen, Pieter; Annaert, Wim; Roose, Kenny; Saelens, Xavier; Schymkowitz, Joost; Rousseau, Frederic


    Recently, a number of aggregation disease polypeptides have been shown to spread from cell to cell, thereby displaying prionoid behavior. Studying aggregate internalization, however, is often hampered by the complex kinetics of the aggregation process, resulting in the concomitant uptake of aggregates of different sizes by competing mechanisms, which makes it difficult to isolate pathway-specific responses to aggregates. We designed synthetic aggregating peptides bearing different aggregation propensities with the aim of producing modes of uptake that are sufficiently distinct to differentially analyze the cellular response to internalization. We found that small acidic aggregates (≤500 nm in diameter) were taken up by nonspecific endocytosis as part of the fluid phase and traveled through the endosomal compartment to lysosomes. By contrast, bigger basic aggregates (>1 μm) were taken up through a mechanism dependent on cytoskeletal reorganization and membrane remodeling with the morphological hallmarks of phagocytosis. Importantly, the properties of these aggregates determined not only the mechanism of internalization but also the involvement of the proteostatic machinery (the assembly of interconnected networks that control the biogenesis, folding, trafficking, and degradation of proteins) in the process; whereas the internalization of small acidic aggregates is HSF1-independent, the uptake of larger basic aggregates was HSF1-dependent, requiring Hsp70. Our results show that the biophysical properties of aggregates determine both their mechanism of internalization and proteostatic response. It remains to be seen whether these differences in cellular response contribute to the particular role of specific aggregated proteins in disease.

  11. Orbital interactions in chemistry

    CERN Document Server

    Albright, Thomas A; Whangbo, Myung-Hwan


    Explains the underlying structure that unites all disciplines in chemistry Now in its second edition, this book explores organic, organometallic, inorganic, solid state, and materials chemistry, demonstrating how common molecular orbital situations arise throughout the whole chemical spectrum. The authors explore the relationships that enable readers to grasp the theory that underlies and connects traditional fields of study within chemistry, thereby providing a conceptual framework with which to think about chemical structure and reactivity problems. Orbital Interactions

  12. Group theory and chemistry

    CERN Document Server

    Bishop, David M


    Group theoretical principles are an integral part of modern chemistry. Not only do they help account for a wide variety of chemical phenomena, they simplify quantum chemical calculations. Indeed, knowledge of their application to chemical problems is essential for students of chemistry. This complete, self-contained study, written for advanced undergraduate-level and graduate-level chemistry students, clearly and concisely introduces the subject of group theory and demonstrates its application to chemical problems.To assist chemistry students with the mathematics involved, Professor Bishop ha

  13. Green Chemistry Pedagogy (United States)

    Kolopajlo, Larry


    This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

  14. Advances in quantum chemistry

    CERN Document Server

    Sabin, John R


    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features

  15. Science Update: Analytical Chemistry. (United States)

    Worthy, Ward


    Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)

  16. Detection and quantification of tau aggregation using a membrane filter assay. (United States)

    Chang, Edward; Kuret, Jeff


    Aggregation of the microtubule-associated protein tau contributes to the formation of neurofibrillary lesions in Alzheimer's disease and is a useful marker of disease progression. Although filter trap assays have been employed to assess the extent of tau aggregation in cells and tissues as well as in vitro, their performance relative to other assay modalities has not been reported. To clarify this issue, the ability of the filter trap approach to quantify aggregation of purified recombinant full-length tau protein in vitro was examined as a function of membrane chemistry in a 96-well format. Results showed that nitrocellulose yielded the greatest assay sensitivity relative to polyvinylidene fluoride or cellulose acetate at equal membrane porosity. However, all combinations of filter chemistries, porosities, and monoclonal detection antibodies yielded nonlinear correlations between signal intensity and analyte concentration. When corrected for nonlinearity, the filter trap assay determined a value for the critical monomer concentration for tau aggregation that was statistically identical to determinations made by electron microscopy assay. The data suggest conditions under which filter trap assays can be used to estimate tau aggregation kinetics.

  17. Spectroscopic Detection of Chiral Aggregation at Liquid-Liquid Interfaces

    Institute of Scientific and Technical Information of China (English)


    Two new spectroscopic methods to detect the optical activity of liquid-liquid interfaces have been developed. The first one is the centrifugal liquid membrane (CLM) method combined with a conventional circular dichroism (CD) spectropolarimetry and the second one is a more interfacial specific second harmonic generation CD (SHG-CD) spectrometry. In the CLM-CD method, a cylindrical glass cell containing small amounts of organic and aqueous phases was rotated at about 7000 r/min in a sample chamber of a CD spectropolarimeter to generate an interface with a high specific interfacial area between the two-phase liquid membranes. The CD spectra of the J-aggregate of protonated 5,10,15, 20-tetraphenylporphyrin formed at the toluene-sulfuric acid interface have been measured. As for the SHG-CD, a circularly polarized wavelength-variable fs-laser system was constructed to measure the interfacial SHG spectra of a flat liquid-liquid interface. The ion-associated aggregation of a water-soluble anionic porphyrin promoted with a cationic amphiphile at the heptane-water interface was observed by this technique and the observed SHG-CD spectra proved the generation of a characteristic optical activity accompanied by the formation of the interfacial aggregate of inherently achiral porphyrin molecules. These methods will pioneer a new field of interfacial chiral chemistry in the studies of solvent extraction mechanisms.


    Directory of Open Access Journals (Sweden)

    Maris Angela


    Full Text Available In the paper the authors present a model aggregate rating based on credit-scoring models, banking models and their rating model. Multi-criteria approach and an aggregate model better capture business risk of the company.

  19. Acetone:isomedzation and aggregation

    Institute of Scientific and Technical Information of China (English)

    HU Zhan; JIN Ming-xing; XU Xue-song; CHENG Xi-hui; DING Da-jun


    The advanced experimental and theoretical techniques enable us to obtain information on the rearrangement of atoms or molecules in a reaction nowadays.As an example,we report on our research work on acetone isomerization and aggregation to give an insight into the reaction pathways,the products and their structures,and the growth regularity of aggregation.The evidences on the structural change of acetone and the stability of acetone clusters are found by a laser ionization mass spectrometer and the results are interpreted from theoretical analysis based on the DFT/B3LYP method.Various isomerization channels of acetone have been established and the optimal structures of the neutral clusters (CH3COCH3)n and the protonated acetone clusters (CH3COCHa)n H+ for n=1-7 have been determined.

  20. Intuitionistic fuzzy aggregation and clustering

    CERN Document Server

    Xu, Zeshui


    This book offers a systematic introduction to the clustering algorithms for intuitionistic fuzzy values, the latest research results in intuitionistic fuzzy aggregation techniques, the extended results in interval-valued intuitionistic fuzzy environments, and their applications in multi-attribute decision making, such as supply chain management, military system performance evaluation, project management, venture capital, information system selection, building materials classification, and operational plan assessment, etc.

  1. Familial aggregation of cluster headache

    Directory of Open Access Journals (Sweden)

    Simao Cruz


    Full Text Available Several studies suggest a strong familial aggregation for cluster headache (CH, but so far none of them have included subjects with probable cluster headache (PCH in accordance with the International Classification of Headache Disorders. Objective To identify cases of probable cluster headache and to assess the familial aggregation of cluster headache by including these subjects. Method Thirty-six patients attending a headache consultation and diagnosed with trigeminal autonomic headaches were subjected to a questionnaire-based interview. A telephone interview was also applied to all the relatives who were pointed out as possibly affected as well as to some of the remaining relatives. Results Twenty-four probands fulfilled the criteria for CH or PCH; they had 142 first-degree relatives, of whom five were found to have CH or PCH, including one case of CH sine headache. The risk for first-degree relatives was observed to be increased by 35- to 46-fold. Conclusion Our results suggest a familial aggregation of cluster headache in the Portuguese population.

  2. Chemistry in Microfluidic Channels (United States)

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.


    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  3. Exercises in Computational Chemistry

    DEFF Research Database (Denmark)

    Spanget-Larsen, Jens


    A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16).......A selection of HyperChem© PC-exercises in computational chemistry. Answers to most questions are appended (Roskilde University 2014-16)....

  4. Physical Chemistry of Molecular

    Institute of Scientific and Technical Information of China (English)


    @@ Established in 2009, the group consists of six researchers and more than 70 research assistants and graduate students from the CAS Key Laboratory of Molecular Nanostructures and Nanotechnologies at the CAS Institute of Chemistry.Its research focuses on the physical chemistry involved in molecular assembly, molecular nanostructures, functional nanomaterials and conceptual nano-devices.

  5. The Breath of Chemistry

    DEFF Research Database (Denmark)

    Josephsen, Jens

    The present preliminary text is a short thematic presentation in biological inorganic chemistry meant to illustrate general and inorganic (especially coordination) chemistry in biochemistry. The emphasis is on molecular models to explain features of the complicated mechanisms essential to breathing...

  6. Bioorganic and bioinorganic chemistry. (United States)

    Constable, Edwin C; Housecroft, Catherine E; Creus, Marc; Gademann, Karl; Giese, Bernd; Ward, Thomas R; Woggon, Wolf D; Chougnet, Antoinette


    The interdisciplinary projects in bioinorganic and bioorganic chemistry of the Department of Chemistry, University of Basel led to the preparation of new systems that mimic biologically important processes and to the discovery of compounds from natural sources which are very promising with respect to medical applications. The advances in these areas are reported here.

  7. Mathematics and Chemistry (United States)

    Henson, R.; Stumbles, A.


    The relationship between mathematics and chemistry has been changing rapidly in recent years. Some chemistry teachers have experienced difficulties in their teaching with the introduction of modern mathematics in the schools. Some suggestions for reinforcing the concepts and language of modern mathematics are put forth. (Author/MA)

  8. Chemistry of americium

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, W.W.


    Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

  9. Biosynthetic inorganic chemistry. (United States)

    Lu, Yi


    Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.

  10. Annual Report 1984. Chemistry Department

    DEFF Research Database (Denmark)

    Funck, Jytte; Nielsen, Ole John

    This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry, an......, analytical- and organic chemistry, environmental chemistry, polymer chemistry, geochemistry and waste disposal, radical chemistry, positron annihilation, mineral processing, and general.......This report contains a brief survey of the main activities in the Chemistry Department. All articles and reports published and lectures given in 1984 are presented. The facilities and equipment are mentioned briefly. The activities are divided into the following groups: radioisotope chemistry...

  11. An exact approach for aggregated formulations

    DEFF Research Database (Denmark)

    Gamst, Mette; Spoorendonk, Simon

    cause an infeasible solution. In this paper, we consider (mixed) integer program formulations and propose a method for ensuring an optimal solution to the original (disaggregated) problem using an aggregated formulation. The method is based on Benders’ decomposition on a combination of the disaggregated...... mathematical formulation and the aggregated formulation. The method allows usage of relaxed aggregated formulations and enables branching on both aggregated and disaggregated variables. Also, the method guarantees an LP bound at least as good as those for the disaggregated and aggregated formulations...

  12. [Lysophosphatidic acid and human erythrocyte aggregation]. (United States)

    Sheremet'ev, Iu A; Popovicheva, A N; Levin, G Ia


    The effects of lysophosphatidic acid on the morphology and aggregation of human erythrocytes has been studied. Morphology of erythrocytes and their aggregates were studied by light microscopy. It has been shown that lysophosphatidic acid changes the shape of red blood cells: diskocyte become echinocytes. Aggregation of red blood cells (rouleaux) was significantly reduced in autoplasma. At the same time there is a strong aggregation of echinocytes. This was accompanied by the formation of microvesicles. Adding normal plasma to echinocytes restores shape and aggregation of red blood cells consisting of "rouleaux". A possible mechanism of action of lysophosphatidic acid on erythrocytes is discussed.


    Sheremet'ev, Yu A; Popovicheva, A N; Rogozin, M M; Levin, G Ya


    An aggregation of erythrocytes in autologous plasma after blood storage for 14 days at 4 °C was studied using photometry and light microscopy. The decrease of ATP content, the formation of echinocytes and spheroechinocytes, the decrease of rouleaux form of erythrocyte aggregation were observed during the storage. On the other hand the aggregates of echinocytes were formed in the stored blood. The addition of plasma from the fresh blood didn't restore the normal discocytic shape and aggregation of erythrocytes in the stored blood. The possible mechanisms of erythrocytes and echinocytes aggregation are discussed.

  14. Aggregation of Diesel Contaminated Soil for Bioremediation

    Institute of Scientific and Technical Information of China (English)

    Yu Ying; Shi Xiu-hong; Li Song; Xu Jing-gang


    Diesel contaminated soil (DCS) contained a large amount of the hydrocarbons and salt which was dominated by soluble sodium chloride. Aggregation process which made the desired aggregate size distribution could speed up the degradation rate of the hydrocarbons since the aggregated DCS had better physical characteristics than the non-aggregated material. Artificial aggregation increased pores >30 µm by approximately 5% and reduced pores <1 µm by 5%, but did not change the percentage of the pores between 1 and 30 µm. The saturated hydraulic conductivity of non-aggregated DCS was 5×10-6 m• s-l, but it increased to 1×10-5 m• s-l after aggregation. The compression index of the non-aggregated DCS was 0.0186; however, the artificial aggregates with and without lime were 0.031 and 0.028, respectively. DCS could be piled 0.2 m deep without artificial aggregation; however, it could be applied 0.28 m deep when artificial aggregates were formed without limiting O2 transport.

  15. Bouncing Behavior of Microscopic Dust Aggregates

    CERN Document Server

    Seizinger, Alexander


    Context: Bouncing collisions of dust aggregates within the protoplanetary may have a significant impact on the growth process of planetesimals. Yet, the conditions that result in bouncing are not very well understood. Existing simulations studying the bouncing behavior used aggregates with an artificial, very regular internal structure. Aims: Here, we study the bouncing behavior of sub-mm dust aggregates that are constructed applying different sample preparation methods. We analyze how the internal structure of the aggregate alters the collisional outcome and determine the influence of aggregate size, porosity, collision velocity, and impact parameter. Methods: We use molecular dynamics simulations where the individual aggregates are treated as spheres that are made up of several hundred thousand individual monomers. The simulations are run on GPUs. Results: Statistical bulk properties and thus bouncing behavior of sub-mm dust aggregates depend heavily on the preparation method. In particular, there is no uni...

  16. Werner coordination chemistry and neurodegeneration. (United States)

    Telpoukhovskaia, Maria A; Orvig, Chris


    Neurodegenerative diseases are capturing the world's attention as being the next set of diseases we must tackle collectively. Not only are the patients experiencing gradual cognitive and physical decline in most cases, but these diseases are fatal with no prevention currently available. As these diseases are progressive, providing care and symptom treatment for the ageing population is becoming both a medical and a financial challenge. This review discusses how Werner coordination chemistry plays a role in three diseases - those of Alzheimer's, Parkinson's, and prions. Metal ions are considered to be involved in these diseases in part via their propensity to cause toxic aggregation of proteins. First, the coordination of metal ions, with emphasis on copper(II), to metalloproteins that are hallmarks of these diseases - amyloid β, α-synuclein, and prion, respectively - will be discussed. We will present the current understanding of the metal coordination environments created by the amino acids of these proteins, as well as metal binding affinity. Second, a diverse set of examples of rationally designed metal chelators to outcompete this deleterious binding will be examined based on coordination mode and affinity toward bio-relevant metal ions. Overall, this review will give a general overview of protein and metal chelator coordination environments in neurodegenerative diseases.

  17. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  18. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


    Mathematics for Physical Chemistry is the ideal supplementary text for practicing chemists and students who want to sharpen their mathematics skills while enrolled in general through physical chemistry courses. This book specifically emphasizes the use of mathematics in the context of physical chemistry, as opposed to being simply a mathematics text. This 4e includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The early chapters are constructed around a sequence of mathematical topics, wit

  19. Experiments in physical chemistry

    CERN Document Server

    Wilson, J M; Denaro, A R


    Experiments in Physical Chemistry, Second Edition provides a compilation of experiments concerning physical chemistry. This book illustrates the link between the theory and practice of physical chemistry. Organized into three parts, this edition begins with an overview of those experiments that generally have a simple theoretical background. Part II contains experiments that are associated with more advanced theory or more developed techniques, or which require a greater degree of experimental skill. Part III consists of experiments that are in the nature of investigations wherein these invest

  20. Spatially Resolved Artificial Chemistry

    DEFF Research Database (Denmark)

    Fellermann, Harold


    Although spatial structures can play a crucial role in chemical systems and can drastically alter the outcome of reactions, the traditional framework of artificial chemistry is a well-stirred tank reactor with no spatial representation in mind. Advanced method development in physical chemistry has...... made a class of models accessible to the realms of artificial chemistry that represent reacting molecules in a coarse-grained fashion in continuous space. This chapter introduces the mathematical models of Brownian dynamics (BD) and dissipative particle dynamics (DPD) for molecular motion and reaction...

  1. Fluorine in medicinal chemistry. (United States)

    Swallow, Steven


    Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted.


    Directory of Open Access Journals (Sweden)

    Dominique Jeulin


    Full Text Available The percolation threshold ρc of Boolean models of cylinders with their axis parallel to a given direction is studied by means of simulations. An efficient method of construction of percolating connected components was developed, and is applied to one or two scales Boolean model, in order to simulate the presence of aggregates. The invariance of the percolation threshold with respect to affine transformations in the common direction of the axis of cylinders is approximately satisfied on simulations. The prediction of the model (ρc close to 0.16 is consistent with experimental measurements on plasma spray coatings, which motivated this study.

  3. Aggregation kinetics of a simulated telechelic polymer (United States)

    Wilson, Mark; Rabinovitch, Avinoam; Baljon, Arlette R. C.


    We investigate the aggregation kinetics of a simulated telechelic polymer gel. In the hybrid molecular dynamics (MD)/Monte Carlo (MC) algorithm, aggregates of associating end groups form and break according to MC rules, while the position of the polymers in space is dictated by MD. As a result, the aggregate sizes change over time. In order to describe this aggregation process, we employ master equations. They define changes in the number of aggregates of a certain size in terms of reaction rates. These reaction rates indicate the likelihood that two aggregates combine to form a large one, or that a large aggregate splits into two smaller parts. The reaction rates are obtained from the simulations for a range of temperatures. Our results indicate that the rates are not only temperature dependent, but also a function of the sizes of the aggregates involved in the reaction. Using the measured rates, solutions to the master equations are shown to be stable and in agreement with the aggregate size distribution, as obtained directly from simulation data. Furthermore, we show how temperature-induced variations in these rates give rise to the observed changes in the aggregate distribution that characterizes the sol-gel transition.

  4. Indicators: Soil Chemistry (United States)

    The chemical makeup of the soil can provide information on wetland condition, wetland water quality and services being provided by the wetland ecosystem. Analyzing soil chemistry reveals if the soil is contaminated with a toxic chemical or heavy metal.

  5. Chemistry for Kids. (United States)

    Sato, Sanae; Majoros, Bela


    Reports two methods for interesting children in chemistry. Describes a method for producing large soap bubbles and films for study. Examines the use of simple stories to explain common chemical concepts with example given. Lists titles of available stories. (ML)

  6. Beauty in chemistry

    Directory of Open Access Journals (Sweden)

    Peter Atkins


    Full Text Available Though hard going for the general reader and highly personal in its selectivity, Elegant Solutions: Ten Beautiful Experiments in Chemistry provides reflections of a thoughtful author that will delight chemists

  7. Microfluidics in inorganic chemistry. (United States)

    Abou-Hassan, Ali; Sandre, Olivier; Cabuil, Valérie


    The application of microfluidics in chemistry has gained significant importance in the recent years. Miniaturized chemistry platforms provide controlled fluid transport, rapid chemical reactions, and cost-saving advantages over conventional reactors. The advantages of microfluidics have been clearly established in the field of analytical and bioanalytical sciences and in the field of organic synthesis. It is less true in the field of inorganic chemistry and materials science; however in inorganic chemistry it has mostly been used for the separation and selective extraction of metal ions. Microfluidics has been used in materials science mainly for the improvement of nanoparticle synthesis, namely metal, metal oxide, and semiconductor nanoparticles. Microfluidic devices can also be used for the formulation of more advanced and sophisticated inorganic materials or hybrids.

  8. Uncertainty in chemistry. (United States)

    Menger, Fredric M


    It might come as a disappointment to some chemists, but just as there are uncertainties in physics and mathematics, there are some chemistry questions we may never know the answer to either, suggests Fredric M. Menger.

  9. Chemistry at large

    Directory of Open Access Journals (Sweden)

    Jeremy. K.M. Sanders


    Full Text Available A new book introduces young researchers to supramolecular chemistry, starting from the basics and working up to the more complicated aspects of the topic. While the text is inspiring for new graduates, it lacks a critical view.

  10. Enzymes in Analytical Chemistry. (United States)

    Fishman, Myer M.


    Presents tabular information concerning recent research in the field of enzymes in analytic chemistry, with methods, substrate or reaction catalyzed, assay, comments and references listed. The table refers to 128 references. Also listed are 13 general citations. (CS)

  11. Water Chemistry: Seeking Information (United States)

    Delfino, Joseph J.


    A survey of the available literature in water chemistry is presented. Materials surveyed include: texts, reference books, bibliographic resources, journals, American Chemical Society publications, proceedings, unpublished articles, and reports. (BT)

  12. Pyridine Aggregation in Helium Nanodroplets (United States)

    Nieto, Pablo; Poerschke, Torsten; Habig, Daniel; Schwaab, Gerhard; Havenith, Martina


    Pyridine crystals show the unusual property of isotopic polymorphism. Experimentally it has been observed that deuterated pyridine crystals exist in two phases while non-deuterated pyridine does not show a phase transition. Therefore, although isotopic substitution is the smallest possible modification of a molecule it greatly affects the stability of pyridine crystals. A possible experimental approach in order to understand this striking effect might be the study of pyridine aggregation for small clusters. By embedding the clusters in helium nanodroplets the aggregates can be stabilized and studied by means of Infrared Depletion Spectroscopy. Pyridine oligomers were investigated in the C-H asymmetric vibration region (2980-3100 cm-1) using this experimental technique. The number of molecules for the clusters responsibles for each band were determined by means of pick-up curves as well as mass sensitive depletion spectra. Furthermore, the intensity dependence of the different bands on applying a dc electric field was studied. The assignment of the different structures for pyridine clusters on the basis of these measurements were also carried out. S. Crawford et al., Angew. Chem. Int. Ed., 48, 755 (2009).

  13. Estimating Aggregate Demand in Egypt

    Directory of Open Access Journals (Sweden)

    Noha EMARA


    Full Text Available Abstract. This econometric study seeks to determine the most important factors of aggregate demand in Egypt so as to provide insight into how this developing nation can grow economically in the coming years. The Ordinary Least Squares estimation method was used in order to estimate nominal GDP for the time period 1975 to 2009. Based on the results the real interest rate, the inflation rate, the growth rate of government expenditure, and the growth rate of the money supply are the most statistically and economically significant factors of the growth rate of nominal GDP for the coming year. A one percent change in the growth rate of the previous year government expenditure is predicted to cause the growth rate of the current year nominal GDP to increase by 54%.The role of government expenditures on public sector wage expansion is discussed in this study as to shed light on this factor’s significant influence on income inequality post-1975 in Egypt, which will continue to impact nominal GDP and social conditions for the developing nation in the coming years.Keywords. GDP, Aggregate Demand, Egypt.JEL. E25, O40, Q11.

  14. Forensic Chemistry Training


    GERÇEK, Zuhal


    Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analy...

  15. Click chemistry with DNA


    El-Sagheer, Afaf H.; Brown, Tom


    The advent of click chemistry has led to an influx of new ideas in the nucleic acids field. The copper catalysed alkyne–azide cycloaddition (CuAAC) reaction is the method of choice for DNA click chemistry due to its remarkable efficiency. It has been used to label oligonucleotides with fluorescent dyes, sugars, peptides and other reporter groups, to cyclise DNA, to synthesise DNA catenanes, to join oligonucleotides to PNA, and to produce analogues of DNA with modified nucleobases and backbone...

  16. Impact of surface chemistry



    The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas–solid, liquid–solid, and solid–solid interfaces under reaction conditions are emphasized.

  17. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T


    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  18. Fundamentals of quantum chemistry

    CERN Document Server

    House, J E


    An introduction to the principles of quantum mechanics needed in physical chemistry. Mathematical tools are presented and developed as needed and only basic calculus, chemistry, and physics is assumed. Applications include atomic and molecular structure, spectroscopy, alpha decay, tunneling, and superconductivity. New edition includes sections on perturbation theory, orbital symmetry of diatomic molecules, the Huckel MO method and Woodward/Hoffman rules as well as a new chapter on SCF and Hartree-Fock methods. * This revised text clearly presents basic q

  19. Applications of supramolecular chemistry

    CERN Document Server

    Schneider, Hans-Jörg


    ""The time is ripe for the present volume, which gathers thorough presentations of the numerous actually realized or potentially accessible applications of supramolecular chemistry by a number of the leading figures in the field. The variety of topics covered is witness to the diversity of the approaches and the areas of implementation…a broad and timely panorama of the field assembling an eminent roster of contributors.""-Jean-Marie Lehn, 1987 Noble Prize Winner in Chemistry

  20. Byproduct aggregate. Copper slag aggregate, ferronickel slag aggregate; Fukusan kotsuzai. Do suragu kotsuzai, fuero nikkeru suragu kotsuzai

    Energy Technology Data Exchange (ETDEWEB)

    Kajiwara, Toshitaka


    Copper slag aggregate and ferronickel slag aggregate has not only usual substitute of sand or crushed sand but many features unlike sand or unlike crushed sand. It has many features unlike sand or crushed sand. It seems that especially, behavior of the particulates minute is features of deserving in addition, the examination in future. Of course, one feature also consists on the merit on the demerit by the use. And, copper slag aggregate, ferronickel slag aggregate have also limited the production place at the output of about 2 million annual production tons. These features are utilized, and in addition, wants to teach and want to receive the wider usage. (NEDO)

  1. Natural aggregates of the conterminous United States (United States)

    Langer, William H.


    Crushed stone and sand and gravel are the two main sources of natural aggregates. These materials are commonly used construction materials and frequently can be interchanged with one another. They are widely used throughout the United States, with every State except two producing crushed stone. Together they amount to about half the mining volume in the United States. Approximately 96 percent of sand and gravel and 77 percent of the crushed stone produced in the United States are used in the construction industry. Natural aggregates are widely distributed throughout the United States in a variety of geologic environments. Sand and gravel deposits commonly are the results of the weathering of bedrock and subsequent transportation and deposition of the material by water or ice (glaciers). As such, they commonly occur as river or stream deposits or in glaciated areas as glaciofluvial and other deposits. Crushed stone aggregates are derived from a wide variety of parent bedrock materials. Limestone and other carbonates account for approximately three quarters of the rocks used for crushed stone, with granite and other igneous rocks making up the bulk of the remainder. Limestone deposits are widespread throughout the Central and Eastern United States and are scattered in the West. Granites are widely distributed in the Eastern and Western United States, with few exposures in the Midwest. Igneous rocks (excluding granites) are largely concentrated in the Western United States and in a few isolated localities in the East. Even though natural aggregates are widely distributed throughout the United States, they are not universally available for consumptive use. Some areas are devoid of sand and gravel, and potential sources of crushed stone may be covered with sufficient unconsolidated material to make surface mining impractical. In some areas many aggregates do not meet the physical property requirements for certain uses, or they may contain mineral constituents that react

  2. Role of multicellular aggregates in biofilm formation

    DEFF Research Database (Denmark)

    Kragh, Kasper N.; Hutchison, Jaime B.; Melaugh, Gavin


    In traditional models of in vitro biofilm development, individual bacterial cells seed a surface, multiply, and mature into multicellular, three-dimensional structures. Much research has been devoted to elucidating the mechanisms governing the initial attachment of single cells to surfaces. However......, in natural environments and during infection, bacterial cells tend to clump as multicellular aggregates, and biofilms can also slough off aggregates as a part of the dispersal process. This makes it likely that biofilms are often seeded by aggregates and single cells, yet how these aggregates impact biofilm...... initiation and development is not known. Here we use a combination of experimental and computational approaches to determine the relative fitness of single cells and preformed aggregates during early development of Pseudomonas aeruginosa biofilms. We find that the relative fitness of aggregates depends...

  3. A vertically resolved model for phytoplankton aggregation

    Indian Academy of Sciences (India)

    Iris Kriest; Geoffrey T Evans


    This work presents models of the vertical distribution and flux of phytoplankton aggregates, including changes with time in the distribution of aggregate sizes and sinking speeds. The distribution of sizes is described by two parameters, the mass and number of aggregates, which greatly reduces the computational cost of the models. Simple experiments demonstrate the effects of aggregation on the timing and depth distribution of primary production and export. A more detailed ecological model is applied to sites in the Arabian Sea; it demonstrates that aggregation can be important for deep sedimentation even when its effect on surface concentrations is small, and it presents the difference in timing between settlement of aggregates and fecal pellets.

  4. Aggregates in the Temporal Query Language TQuel, (United States)


    makes it possible to define both standard and unique aggregates in a rigorous way. Ceri and Gottlob present 43 prVPW t TW WRJR V P P V * a translation...from a subset of SQL that includes aggregates into relational algebra, thereby defining an operational semantics for SQL aggregates [Ceri & Gottlob ...Zvi, J. The Time Relational Model. Ph). Diss. Computer Science Department, UCLA, 1982. (Ceri & Gotlob 19851 Ceri, S. and G. Gottlob . Translating SQL

  5. Macroeconomic susceptibility, inflation, and aggregate supply (United States)

    Hawkins, Raymond J.


    We unify aggregate-supply dynamics as a time-dependent susceptibility-mediated relationship between inflation and aggregate economic output. In addition to representing well various observations of inflation-output dynamics this parsimonious formalism provides a straightforward derivation of popular representations of aggregate-supply dynamics and a natural basis for economic-agent expectations as an element of inflation formation. Our formalism also illuminates questions of causality and time-correlation that challenge central banks for whom aggregate-supply dynamics is a key constraint in their goal of achieving macroeconomic stability.

  6. Aggregate growth in a protoplanetary disk (United States)

    Xiang, Chuchu; Carballido, Augusto; Matthews, Lorin; Hyde, Truell


    We present a method to model the growth of neutral and charged dusts in a turbulent protoplanetary disk, and analyze their collision probabilities. Coagulation of dust aggregates plays an important role in the formation of planets and is of key importance to the evolution of protoplanetary disks. In our method, the temporal evolution of the dusts is followed by Monte Carlo algorithm, and the inter-particle interactions are calculated by Aggregate_Builder (AB), which is a code used to model the collision process of aggregates. First an aggregate library is built and all the aggregates are binned according to their sizes. In each iteration, the collision rate for aggregates from any two bins are computed, which determines the time it takes for the next collision to happen and which two aggregates are selected for collision. Then the AB codes are used to calculate the interaction of the two aggregates. The relative velocity between the two aggregates is the vector sum of Brownian velocity and the turbulent velocity. The latter is calculated by ATHENA, which is a grid-based code for astrophysical magnetohydrodynamics. In each iteration, it’s determined whether the two aggregates hit or miss. In the case of hit, it either sticks or bounces as determined by the critical velocity. As a result, the neutral aggregates are more porous than the charged ones. For a certain size of incoming aggregates, the neutral ones have a higher collision probability than the charged ones. Also, similarly-sized aggregates have lower collision probabilities than aggregates with large size dispersions. This research enables us to determine which physical properties have a greater impact on the collision rate. By tracing the dust size distribution, we can identify the stage when they settle out to the mid-plane and how long it takes to develop to that stage. In the hit-stick regime, our results are consistent with the experiments which shows that when the velocity is smaller than the

  7. Aggregated Dynamic Dataflow Graph Generation and Visualization

    Directory of Open Access Journals (Sweden)

    I. Szabó


    Full Text Available Aggregated Dynamic Dataflow Graphs can assist programmers to uncover the main data paths of a given algorithm. This information can be useful when scaling a singlethreaded program into a multi-core architecture. The amount of data movements is crucial when targeting for cache incoherent and/or heterogeneous platforms. This paper presents two methods for generating function-level Aggregated Dynamic Dataflow Graphs. Instruction level trace log was used as a basis, which was generated by Microsoft Giano processor simulator platform. Top-down aggregation strategy and relational database was used to speed up the generation of different views of the aggregated dataflow and call graphs.

  8. Population balance modeling of antibodies aggregation kinetics. (United States)

    Arosio, Paolo; Rima, Simonetta; Lattuada, Marco; Morbidelli, Massimo


    The aggregates morphology and the aggregation kinetics of a model monoclonal antibody under acidic conditions have been investigated. Growth occurs via irreversible cluster-cluster coagulation forming compact, fractal aggregates with fractal dimension of 2.6. We measured the time evolution of the average radius of gyration, , and the average hydrodynamic radius, , by in situ light scattering, and simulated the aggregation kinetics by a modified Smoluchowski's population balance equations. The analysis indicates that aggregation does not occur under diffusive control, and allows quantification of effective intermolecular interactions, expressed in terms of the Fuchs stability ratio (W). In particular, by introducing a dimensionless time weighed on W, the time evolutions of measured under various operating conditions (temperature, pH, type and concentration of salt) collapse on a single master curve. The analysis applies also to data reported in the literature when growth by cluster-cluster coagulation dominates, showing a certain level of generality in the antibodies aggregation behavior. The quantification of the stability ratio gives important physical insights into the process, including the Arrhenius dependence of the aggregation rate constant and the relationship between monomer-monomer and cluster-cluster interactions. Particularly, it is found that the reactivity of non-native monomers is larger than that of non-native aggregates, likely due to the reduction of the number of available hydrophobic patches during aggregation.

  9. Pre-aggregation for Probability Distributions

    DEFF Research Database (Denmark)

    Timko, Igor; Dyreson, Curtis E.; Pedersen, Torben Bach

    Motivated by the increasing need to analyze complex uncertain multidimensional data (e.g., in order to optimize and personalize location-based services), this paper proposes novel types of {\\em probabilistic} OLAP queries that operate on aggregate values that are probability distributions...... and the techniques to process these queries. The paper also presents the methods for computing the probability distributions, which enables pre-aggregation, and for using the pre-aggregated distributions for further aggregation. In order to achieve good time and space efficiency, the methods perform approximate...... multidimensional data analysis that is considered in this paper (i.e., approximate processing of probabilistic OLAP queries over probability distributions)....

  10. Collisional Aggregation due to Turbulence

    CERN Document Server

    Pumir, Alain


    Collisions between particles suspended in a fluid play an important role in many physical processes. As an example, collisions of microscopic water droplets in clouds are a necessary step in the production of macroscopic raindrops. Collisions of dust grains are also conjectured to be important for planet formation in the gas surrounding young stars, and also to play a role in the dynamics of sand storms. In these processes, collisions are favoured by fast turbulent motions. Here we review recent advances in the understanding of collisional aggregation due to turbulence. We discuss the role of fractal clustering of particles, and caustic singularities of their velocities. We also discuss limitations of the Smoluchowski equation for modelling these processes. These advances lead to a semi-quantitative understanding on the influence of turbulence on collision rates, and point to deficiencies in the current understanding of rainfall and planet formation.

  11. Morphological classification of nanoceramic aggregates (United States)

    Crosta, Giovanni F.; Kang, Bongwoo; Ospina, Carolina; Sung, Changmo


    Aluminum silicate nanoaggregates grown at near-room temperature on an organic template under a variety of experimental conditions have been imaged by transmission electron microscopy. Images have been automatically classified by an algorithm based on "spectrum enhancement", multivariate statistics and supervised optimization. Spectrum enhancement consists of subtracting, in the log scale, a known function of wavenumber from the angle averaged power spectral density of the image. Enhanced spectra of each image, after polynomial interpolation, have been regarded as morphological descriptors and as such submitted to principal components analysis nested with a multiobjective parameter optimization algorithm. The latter has maximized pairwise discrimination between classes of materials. The role of the organic template and of a reaction parameter on aggregate morphology has been assessed at two magnification scales. Classification results have also been related to crystal structure data derived from selected area electron diffraction patterns.

  12. Colloid Release from Soil Aggregates

    DEFF Research Database (Denmark)

    Vendelboe, Anders Lindblad; Møldrup, Per; Schjønning, Per;


    The content of water-dispersible colloids (WDC) has a major impact on soil functions and structural stability. In addition, the presence of mobile colloids may increase the risk of colloid-facilitated transport of strongly sorbing environmental contaminants. The WDC content was measured in 39 soils......, using laser diffraction, by agitating the samples using a wet-dispersion unit. This approach eliminated the need for long sedimentation times required by the more classical end-over-end shaking approach and provided information about the time-dependent release of WDC. The total clay content of the soils...... ranged from 0.1 to 0.44 kg kg−1. The WDC content was measured on air-dry and moist 1- to 2-mm aggregates. The WDC content at a reference time was highly correlated to the total clay content (r > 0.91, P soils. Only for two sites was the WDC content correlated to the content of clay...

  13. Thrombolytic therapy reduces red blood cell aggregation in plasma without affecting intrinsic aggregability. (United States)

    Ben-Ami, R; Sheinman, G; Yedgar, S; Eldor, A; Roth, A; Berliner, A S; Barshtein, G


    Red blood cell (RBC) aggregation may contribute to occlusion of the coronary microcirculation during myocardial infarction. We studied the effect of thrombolytic therapy on RBC aggregation in patients with acute myocardial infarction (AMI). Compared with patients with myocardial infarction who did not receive thrombolytic therapy, those treated with systemic thrombolysis exhibited significantly reduced RBC aggregation, reduced plasma fibrinogen levels and increased plasma D-dimer levels. Using measurement of RBC aggregation in a standardized dextran-500 solution, reduction in RBC aggregation after thrombolysis was shown to be plasma dependent. Thrombolytic therapy had no direct effect on intrinsic RBC aggregability in patients with AMI. We conclude that thrombolytic therapy has rheologic consequences that may contribute to its overall efficacy. Inhibition of RBC aggregation by thrombolytic therapy may result from the degradation of fibrinogen, a key factor in the formation of RBC aggregates, and from the generation of fibrinogen degradation products capable of disaggregating RBCs.

  14. Unique Gold Nanoparticle Aggregates as a Highly Active SERS Substrate

    Energy Technology Data Exchange (ETDEWEB)

    Schwartzberg, A M; Grant, C D; Wolcott, A; Talley, C E; Huser, T R; Bogomolni, R; Zhang, J Z


    A unique gold nanoparticle aggregate (GNA) system has been shown to be an excellent substrate for surface-enhanced Raman scattering (SERS) applications. Rhodamine 6G (R6G), a common molecule used for testing SERS activity on silver, but generally difficult to detect on gold substrates, has been found to readily bind to the GNA and exhibit strong SERS activity due to the unique surface chemistry afforded by sulfur species on the surface. This GNA system has yielded a large SERS enhancement of 10{sup 7}-10{sup 9} in bulk solution for R6G, on par with or greater than any previously reported gold SERS substrate. SERS activity has also been successfully demonstrated for several biological molecules including adenine, L-cysteine, L-lysine, and L-histidine for the first time on a gold SERS substrate, showing the potential of this GNA as a convenient and powerful SERS substrate for biomolecular detection. In addition, SERS spectrum of R6G on single aggregates has been measured. We have shown that the special surface properties of the GNA, in conjunction with strong near IR absorption, make it useful for SERS analysis of a wide variety of molecules.

  15. Chemistry beyond positivism. (United States)

    Brandt, Werner W


    Chemistry is often thought to be quite factual, and therefore might be considered close to the "positivist" ideal of a value-free science. A closer look, however, reveals that the field is coupled to the invisible realm of values, meanings, and purpose in various ways, and chemists interact with that realm loosely and unevenly. Tacit knowledge is one important locus of such interactions. We are concerned in this essay with two questions. What is the nature of the knowledge when we are in the early stages of discovery? and In what ways does the hidden reality we are seeking affect our search for an understanding of it? The first question is partly answered by Polanyi's theory of tacit knowledge, while the second one leads us to realize the limitations of our language when discussing "reality"-or certain chemical experimental results. A strictly positivist approach is of little use, but so is the opposite, the complete disregard of facts. The contrast between positivism and non-formulable aspects of scientific reasoning amounts to a paradox that needs to be analyzed and can lead to a "connected" chemistry. This in turn resembles networks described by Schweber and is more concerned than the chemistry "as it is" with aspects such as the image of chemistry, the challenges chemists face as citizens, and chemistry in liberal education.

  16. Preformed Seeds Modulate Native Insulin Aggregation Kinetics. (United States)

    Dutta, Colina; Yang, Mu; Long, Fei; Shahbazian-Yassar, Reza; Tiwari, Ashutosh


    Insulin aggregates under storage conditions via disulfide interchange reaction. It is also known to form aggregates at the site of repeated injections in diabetes patients, leading to injection amyloidosis. This has fueled research in pharmaceutical and biotechnology industry as well as in academia to understand factors that modulate insulin stability and aggregation. The main aim of this study is to understand the factors that modulate aggregation propensity of insulin under conditions close to physiological and measure effect of "seeds" on aggregation kinetics. We explored the aggregation kinetics of insulin at pH 7.2 and 37 °C in the presence of disulfide-reducing agent dithiothreitol (DTT), using spectroscopy (UV-visible, fluorescence, and Fourier transform infrared spectroscopy) and microscopy (scanning electron microscopy, atomic force microscopy) techniques. We prepared insulin "seeds" by incubating disulfide-reduced insulin at pH 7.2 and 37 °C for varying lengths of time (10 min to 12 h). These seeds were added to the native protein and nucleation-dependent aggregation kinetics was measured. Aggregation kinetics was fastest in the presence of 10 min seeds suggesting they were nascent. Interestingly, intermediate seeds (30 min to 4 h incubation) resulted in formation of transient fibrils in 4 h that converted to amorphous aggregates upon longer incubation of 24 h. Overall, the results show that insulin under disulfide reducing conditions at pH and temperature close to physiological favors amorphous aggregate formation and seed "maturity" plays an important role in nucleation dependent aggregation kinetics.


    Directory of Open Access Journals (Sweden)

    Patrizia Guidi


    Full Text Available For the identification of C pools involved in soil aggregation, a physically-based aggregate fractionation was proposed, and  additional pretreatments were used in the measurement of the 1-2 mm aggregate stability in order to elucidate the relevance of the role of soil microorganisms with respect to the different aggregate breakdown mechanisms. The study was carried out on three clay loam Regosols, developed on calcareous shales, known history of organic cultivation.Our results showed that the soil C pool controlling the process of stabilisation of aggregates was related to the microbial community. We identified the resistance to fast wetting as the major mechanism of aggregate stability driven by microorganims. The plausible hypothesis is that organic farming promotes fungi growth, improving water repellency of soil aggregates by fungal hydrophobic substances. By contrast, we failed in the identification of C pools controlling the formation of aggregates, probably because of the disturbance of mechanical tillage which contributes to the breakdown of soil aggregates.The physically-based aggregate fractionation proposed in this study resulted useful in the  mechanistically understanding of the role of microorganisms in soil aggregation and it might be suggested for studying the impact of management on C pools, aggregates properties and their relationships in agricultural soils.

  18. Protein aggregation and lyophilization: Protein structural descriptors as predictors of aggregation propensity


    Roughton, Brock C.; Iyer, Lavanya K.; Bertelsen, Esben; Topp, Elizabeth M.; Camarda, Kyle V.


    Lyophilization can induce aggregation in therapeutic proteins, but the relative importance of protein structure, formulation and processing conditions are poorly understood. To evaluate the contribution of protein structure to lyophilization-induced aggregation, fifteen proteins were co-lyophilized with each of five excipients. Extent of aggregation following lyophilization, measured using size-exclusion chromatography, was correlated with computational and biophysical protein structural desc...

  19. Reaction chemistry of cerium

    Energy Technology Data Exchange (ETDEWEB)



    It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.

  20. Uranium triamidoamine chemistry. (United States)

    Gardner, Benedict M; Liddle, Stephen T


    Triamidoamine (Tren) complexes of the p- and d-block elements have been well-studied, and they display a diverse array of chemistry of academic, industrial and biological significance. Such in-depth investigations are not as widespread for Tren complexes of uranium, despite the general drive to better understand the chemical behaviour of uranium by virtue of its fundamental position within the nuclear sector. However, the chemistry of Tren-uranium complexes is characterised by the ability to stabilise otherwise reactive, multiply bonded main group donor atom ligands, construct uranium-metal bonds, promote small molecule activation, and support single molecule magnetism, all of which exploit the steric, electronic, thermodynamic and kinetic features of the Tren ligand system. This Feature Article presents a current account of the chemistry of Tren-uranium complexes.

  1. Mathematics for physical chemistry

    CERN Document Server

    Mortimer, Robert G


    Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data.* Numerous examples and problems interspersed throughout the presentations * Each extensive chapter contains a preview, objectives, and ...

  2. Air Composition and Chemistry (United States)

    Brimblecombe, Peter


    This book is about the atmosphere and humanity's influence on it. For this new edition, Brimblecombe has rewritten and updated much of the book. In the early chapters, he discusses the geochemical, biological and maritime sources of the trace gases. Next, he examines the chemistry of atmospheric gases, suspended particles, and rainfall. After dealing with the natural atmosphere, he examines the sources of air pollution and its effects, with all scenarios updated from the last edition. Scenarios include decline in health, damage to plants and animals, indoor pollution, and acid rain. The final chapters, also revised, are concerned with the chemistry and evolution of the atmospheres of the planets of the solar system. Students with an interest in chemistry and the environmental sciences will find this book highly valuable.

  3. Aggregation kinetics of graphene oxides in aqueous solutions: experiments, mechanisms, and modeling. (United States)

    Wu, Lei; Liu, Lin; Gao, Bin; Muñoz-Carpena, Rafael; Zhang, Ming; Chen, Hao; Zhou, Zuhao; Wang, Hao


    Although graphene oxide (GO) has been used in many applications to improve human life quality, its environmental fate and behavior are still largely unknown. In this work, a novel approach that combines experimental measurements and theoretical calculations was used to determine the aggregation kinetics of GO sheets in aqueous solutions under different chemistry conditions (e.g., cation valence and pH). Experimental data showed that both cation valence and pH showed significant effect on the aggregation of GO sheets. The measured critical coagulation concentrations were in good agreement with the predictions of the extended Schulze-Hardy rule. Ca(2+) and Mg(2+) were more effective than Na(+) in aggregating the GO sheets, which could be attributed to the cross-linking between GO sheets by the divalent cations through "bridging" the functional groups at the edges of the GO sheets. When solution pH increases, deprotonation of carboxylic groups was found to play a key role in increasing GO sheet stability and surface charge development. These results suggested that edge-to-edge and face-to-face interactions were the dominant modes of GO aggregation in the presence of divalent metal ions and H(+), respectively. A modified attachment efficiency (α) model was developed on the basis of the Maxwell approach with considerations of both primary and secondary minima. The model predictions matched the experimental measurements of the aggregation kinetics of GO sheets in aqueous solutions under all of the tested experimental conditions well.

  4. Marine particle aggregate breakup in turbulent flows (United States)

    Rau, Matthew; Ackleson, Steven; Smith, Geoffrey


    The dynamics of marine particle aggregate formation and breakup due to turbulence is studied experimentally. Aggregates of clay particles, initially in a quiescent aggregation tank, are subjected to fully developed turbulent pipe flow at Reynolds numbers of up to 25,000. This flow arrangement simulates the exposure of marine aggregates in coastal waters to a sudden turbulent event. Particle size distributions are measured by in-situ sampling of the small-angle forward volume scattering function and the volume concentration of the suspended particulate matter is quantified through light attenuation measurements. Results are compared to measurements conducted under laminar and turbulent flow conditions. At low shear rates, larger sized particles indicate that aggregation initially governs the particle dynamics. Breakup is observed when large aggregates are exposed to the highest levels of shear in the experiment. Models describing the aggregation and breakup rates of marine particles due to turbulence are evaluated with the population balance equation and results from the simulation and experiment are compared. Additional model development will more accurately describe aggregation dynamics for remote sensing applications in turbulent marine environments.

  5. Teaching Aggregate Demand and Supply Models (United States)

    Wells, Graeme


    The author analyzes the inflation-targeting model that underlies recent textbook expositions of the aggregate demand-aggregate supply approach used in introductory courses in macroeconomics. He shows how numerical simulations of a model with inflation inertia can be used as a tool to help students understand adjustments in response to demand and…

  6. A formal approach to aggregated belief formation

    NARCIS (Netherlands)

    Heuvelink, A.; Klein, M.C.A.; Treur, J.


    This paper introduces a formal method to aggregate over basic beliefs, in order to deduce aggregated or complex beliefs as often used in applications. Complex beliefs can represent several things, such as a belief about a period in which other beliefs held or the minimal or maximal certainty with wh

  7. Approximation of Aggregate Losses Using Simulation

    Directory of Open Access Journals (Sweden)

    Mohamed A. Mohamed


    Full Text Available Problem statement: The modeling of aggregate losses is one of the main objectives in actuarial theory and practice, especially in the process of making important business decisions regarding various aspects of insurance contracts. The aggregate losses over a fixed time period is often modeled by mixing the distributions of loss frequency and severity, whereby the distribution resulted from this approach is called a compound distribution. However, in many cases, realistic probability distributions for loss frequency and severity cannot be combined mathematically to derive the compound distribution of aggregate losses. Approach: This study aimed to approximate the aggregate loss distribution using simulation approach. In particular, the approximation of aggregate losses was based on a compound Poisson-Pareto distribution. The effects of deductible and policy limit on the individual loss as well as the aggregate losses were also investigated. Results: Based on the results, the approximation of compound Poisson-Pareto distribution via simulation approach agreed with the theoretical mean and variance of each of the loss frequency, loss severity and aggregate losses. Conclusion: This study approximated the compound distribution of aggregate losses using simulation approach. The investigation on retained losses and insurance claims allowed an insured or a company to select an insurance contract that fulfills its requirement. In particular, if a company wants to have an additional risk reduction, it can compare alternative policies by considering the worthiness of the additional expected total cost which can be estimated via simulation approach.

  8. Ratio-Based Gradual Aggregation of Data

    DEFF Research Database (Denmark)

    Iftikhar, Nadeem


    cause data management and data storage issues. However, non-flexible and ineffective means of data aggregation not only reduce performance of database queries but also lead to erroneous reporting. This paper presents flexible and effective ratio-based methods for gradual data aggregation in databases...

  9. Familial Aggregation and Childhood Blood Pressure

    NARCIS (Netherlands)

    Wang, Xiaoling; Xu, Xiaojing; Su, Shaoyong; Snieder, Harold


    There is growing concern about elevated blood pressure (BP) in children. The evidence for familial aggregation of childhood BP is substantial. Twin studies have shown that a large part of the familial aggregation of childhood BP is due to genes. The first part of this review provides the latest prog

  10. Aggregation and fibrillation of bovine serum albumin

    DEFF Research Database (Denmark)

    Holm, NK; Jespersen, SK; Thomassen, LV;


    The all-alpha helix multi-domain protein bovine serum albumin (BSA) aggregates at elevated temperatures. Here we show that these thermal aggregates have amyloid properties. They bind the fibril-specific dyes Thioflavin T and Congo Red, show elongated although somewhat worm-like morphology...

  11. Chemistry and lithography

    CERN Document Server

    Okoroanyanwu, Uzodinma


    This is a unique book, combining chemistry and physics with technology and history in a way that is both enlightening and lively. No other book in the field of lithography has as much breadth. Highly recommended for anyone interested in the broad application of chemistry to lithography. --Chris Mack, Gentleman Scientist. This book provides a comprehensive treatment of the chemical phenomena in lithography in a manner that is accessible to a wide readership. The book presents topics on the optical and charged particle physics practiced in lithography, with a broader view of how the marriage bet

  12. Chemistry in microelectronics

    CERN Document Server

    Le Tiec, Yannick


    Microelectronics is a complex world where many sciences need to collaborate to create nano-objects: we need expertise in electronics, microelectronics, physics, optics and mechanics also crossing into chemistry, electrochemistry, as well as biology, biochemistry and medicine. Chemistry is involved in many fields from materials, chemicals, gases, liquids or salts, the basics of reactions and equilibrium, to the optimized cleaning of surfaces and selective etching of specific layers. In addition, over recent decades, the size of the transistors has been drastically reduced while the functionalit

  13. Dynamic Combinatorial Chemistry

    DEFF Research Database (Denmark)

    Lisbjerg, Micke

    This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

  14. Chemistry WebBook (United States)

    SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

  15. Solvent effects in chemistry

    CERN Document Server

    Buncel, Erwin


    This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds.  It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as ""green"" chemistry, where ut

  16. Progress in physical chemistry

    CERN Document Server

    Hempelmann, Rolf


    Progress in Physical Chemistry is a collection of recent ""Review Articles"" published in the ""Zeitschrift für Physikalische Chemie"". The second volume of Progress in Physical Chemistry is a collection of thematically closely related minireview articles written by the members of the Collaborative Research Centre (SFB) 277 of the German Research Foundation (DFG). These articles are based on twelve years of intense coordinated research efforts. Central topics are the synthesis and the characterization of interface-dominated, i.e. nanostructured materials, mainly in the solid state but also as

  17. The chemistry of silicon

    CERN Document Server

    Rochow, E G; Emeléus, H J; Nyholm, Ronald


    Pergamon Texts in Organic Chemistry, Volume 9: The Chemistry of Silicon presents information essential in understanding the chemical properties of silicon. The book first covers the fundamental aspects of silicon, such as its nuclear, physical, and chemical properties. The text also details the history of silicon, its occurrence and distribution, and applications. Next, the selection enumerates the compounds and complexes of silicon, along with organosilicon compounds. The text will be of great interest to chemists and chemical engineers. Other researchers working on research study involving s

  18. Spins in chemistry

    CERN Document Server

    McWeeny, Roy


    Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

  19. Multicandidate Elections: Aggregate Uncertainty in the Laboratory* (United States)

    Bouton, Laurent; Castanheira, Micael; Llorente-Saguer, Aniol


    The rational-voter model is often criticized on the grounds that two of its central predictions (the paradox of voting and Duverger’s Law) are at odds with reality. Recent theoretical advances suggest that these empirically unsound predictions might be an artifact of an (arguably unrealistic) assumption: the absence of aggregate uncertainty about the distribution of preferences in the electorate. In this paper, we propose direct empirical evidence of the effect of aggregate uncertainty in multicandidate elections. Adopting a theory-based experimental approach, we explore whether aggregate uncertainty indeed favors the emergence of non-Duverger’s law equilibria in plurality elections. Our experimental results support the main theoretical predictions: sincere voting is a predominant strategy under aggregate uncertainty, whereas without aggregate uncertainty, voters massively coordinate their votes behind one candidate, who wins almost surely.

  20. Role of multicellular aggregates in biofilm formation

    DEFF Research Database (Denmark)

    Kragh, Kasper N.; Hutchison, Jaime B.; Melaugh, Gavin;


    response, may add to this ecological benefit. Our findings suggest that current models of biofilm formation should be reconsidered to incorporate the role of aggregates in biofilm initiation.IMPORTANCE During the past decades, there has been a consensus around the model of development of a biofilm......In traditional models of in vitro biofilm development, individual bacterial cells seed a surface, multiply, and mature into multicellular, three-dimensional structures. Much research has been devoted to elucidating the mechanisms governing the initial attachment of single cells to surfaces. However......, in natural environments and during infection, bacterial cells tend to clump as multicellular aggregates, and biofilms can also slough off aggregates as a part of the dispersal process. This makes it likely that biofilms are often seeded by aggregates and single cells, yet how these aggregates impact biofilm...

  1. Formation of Tethers from Spreading Cellular Aggregates. (United States)

    Beaune, Grégory; Winnik, Françoise M; Brochard-Wyart, Françoise


    Membrane tubes are commonly extruded from cells and vesicles when a point-like force is applied on the membrane. We report here the unexpected formation of membrane tubes from lymph node cancer prostate (LNCaP) cell aggregates in the absence of external applied forces. The spreading of LNCaP aggregates deposited on adhesive glass substrates coated with fibronectin is very limited because cell-cell adhesion is stronger than cell-substrate adhesion. Some cells on the aggregate periphery are very motile and try to escape from the aggregate, leading to the formation of membrane tubes. Tethered networks and exchange of cargos between cells were observed as well. Growth of the tubes is followed by either tube retraction or tube rupture. Hence, even very cohesive cells are successful in escaping aggregates, which may lead to epithelial mesenchymal transition and tumor metastasis. We interpret the dynamics of formation and retraction of tubes in the framework of membrane mechanics.

  2. Pre-aggregation for Probability Distributions

    DEFF Research Database (Denmark)

    Timko, Igor; Dyreson, Curtis E.; Pedersen, Torben Bach

    Motivated by the increasing need to analyze complex uncertain multidimensional data (e.g., in order to optimize and personalize location-based services), this paper proposes novel types of {\\em probabilistic} OLAP queries that operate on aggregate values that are probability distributions...... and the techniques to process these queries. The paper also presents the methods for computing the probability distributions, which enables pre-aggregation, and for using the pre-aggregated distributions for further aggregation. In order to achieve good time and space efficiency, the methods perform approximate...... computations of aggregate values. The paper also reports on the experiments with the methods. The work is motivated with a real-world case study, based on our collaboration with a leading Danish vendor of location-based services. No previous work considers the combination of the aspects of uncertain...

  3. Spatial Aggregation: Data Model and Implementation

    CERN Document Server

    Gomez, Leticia; Kuijpers, Bart; Vaisman, Alejandro


    Data aggregation in Geographic Information Systems (GIS) is only marginally present in commercial systems nowadays, mostly through ad-hoc solutions. In this paper, we first present a formal model for representing spatial data. This model integrates geographic data and information contained in data warehouses external to the GIS. We define the notion of geometric aggregation, a general framework for aggregate queries in a GIS setting. We also identify the class of summable queries, which can be efficiently evaluated by precomputing the overlay of two or more of the thematic layers involved in the query. We also sketch a language, denoted GISOLAP-QL, for expressing queries that involve GIS and OLAP features. In addition, we introduce Piet, an implementation of our proposal, that makes use of overlay precomputation for answering spatial queries (aggregate or not). Our experimental evaluation showed that for a certain class of geometric queries with or without aggregation, overlay precomputation outperforms R-tre...

  4. Aggregation of Composite Solutions: strategies, models, examples

    CERN Document Server

    Levin, Mark Sh


    The paper addresses aggregation issues for composite (modular) solutions. A systemic view point is suggested for various aggregation problems. Several solution structures are considered: sets, set morphologies, trees, etc. Mainly, the aggregation approach is targeted to set morphologies. The aggregation problems are based on basic structures as substructure, superstructure, median/consensus, and extended median/consensus. In the last case, preliminary structure is built (e.g., substructure, median/consensus) and addition of solution elements is considered while taking into account profit of the additional elements and total resource constraint. Four aggregation strategies are examined: (i) extension strategy (designing a substructure of initial solutions as "system kernel" and extension of the substructure by additional elements); (ii) compression strategy (designing a superstructure of initial solutions and deletion of some its elements); (iii) combined strategy; and (iv) new design strategy to build a new s...

  5. Excited-state dynamics of astaxanthin aggregates (United States)

    Fuciman, Marcel; Durchan, Milan; Šlouf, Václav; Keşan, Gürkan; Polívka, Tomáš


    Astaxanthin forms three types of aggregates in hydrated dimethyl sulfoxide (DMSO). In DMSO/water ratio of 1:1, a red-shifted J-aggregate with maximum at 570 nm is generated, while a ratio of 1:9 produces blue-shifted H-aggregates with peaks at 386 nm (H1) and 460 nm (H2). Monomeric astaxanthin in DMSO has an S1 lifetime of 5.3 ps, but a long-lived (33 ps) S∗ signal was also identified. Aggregation changes the S1 lifetimes to 17 ps (H1), 30 ps (H2), and 14 ps (J). Triplet state of astaxanthin, most likely generated via singlet homofission, was observed in H1 and H2 aggregates.

  6. An exact approach for aggregated formulations

    DEFF Research Database (Denmark)

    Gamst, Mette; Spoorendonk, Simon

    optimality cannot be guaranteed by branching on the aggregated variables. In this presentation, we propose a general method for solving aggregated formulations, such that the solution is optimal to the original problem. The method is based on applying Benders’ decomposition on a combination of the original...... to mathematical formulations with a different solution space than that for the original formulation, i.e., the aggregated formulation may be a relaxation of the original problem. In a branch-and-bound context, variable aggregation can also lead to a formulation where branching is not trivial, for example when...... and aggregated formulations. Put in a branch-and-bound context, branching can be performed on the original variables to ensure optimality. We show how to apply the method on well-known optimization problems....

  7. The fractal aggregation of asphaltenes. (United States)

    Hoepfner, Michael P; Fávero, Cláudio Vilas Bôas; Haji-Akbari, Nasim; Fogler, H Scott


    This paper discusses time-resolved small-angle neutron scattering results that were used to investigate asphaltene structure and stability with and without a precipitant added in both crude oil and model oil. A novel approach was used to isolate the scattering from asphaltenes that are insoluble and in the process of aggregating from those that are soluble. It was found that both soluble and insoluble asphaltenes form fractal clusters in crude oil and the fractal dimension of the insoluble asphaltene clusters is higher than that of the soluble clusters. Adding heptane also increases the size of soluble asphaltene clusters without modifying the fractal dimension. Understanding the process of insoluble asphaltenes forming fractals with higher fractal dimensions will potentially reveal the microscopic asphaltene destabilization mechanism (i.e., how a precipitant modifies asphaltene-asphaltene interactions). It was concluded that because of the polydisperse nature of asphaltenes, no well-defined asphaltene phase stability envelope exists and small amounts of asphaltenes precipitated even at dilute precipitant concentrations. Asphaltenes that are stable in a crude oil-precipitant mixture are dispersed on the nanometer length scale. An asphaltene precipitation mechanism is proposed that is consistent with the experimental findings. Additionally, it was found that the heptane-insoluble asphaltene fraction is the dominant source of small-angle scattering in crude oil and the previously unobtainable asphaltene solubility at low heptane concentrations was measured.

  8. Is Chemistry Attractive for Pupils? Czech Pupils' Perception of Chemistry (United States)

    Kubiatko, Milan


    Chemistry is an important subject due to understanding the composition and structure of the things around us. The main aim of the study was to find out the perception of chemistry by lower secondary school pupils. The partial aims were to find out the influence of gender, year of study and favorite subject on the perception of chemistry. The…

  9. Turkish Prospective Chemistry Teachers' Beliefs about Chemistry Teaching (United States)

    Boz, Yezdan; Uzuntiryaki, Esen


    In order to study the beliefs of Turkish prospective chemistry teachers about teaching chemistry, semi-structured interviews were conducted with 12 prospective teachers. Analysis of the interviews revealed that most of the prospective teachers held intermediate (transition between constructivist and traditional) beliefs about chemistry teaching.…

  10. Polymer Chemistry in High School. (United States)

    Stucki, Roger


    Discusses why polymer chemistry should be added to the general chemistry curriculum and what topics are appropriate (listing traditional with related polymer topics). Also discusses when and how these topics should be taught. (JN)

  11. Water Chemistry Laboratory Manual. (United States)

    Jenkins, David; And Others

    This manual of laboratory experiments in water chemistry serves a dual function of illustrating fundamental chemical principles of dilute aqueous systems and of providing the student with some familiarity with the chemical measurements commonly used in water and wastewater analysis. Experiments are grouped in categories on the basis of similar…

  12. Chemistry and Popperism. (United States)

    Akeroyd, F. Michael


    Discusses the relationship of Karl Popper's theories to chemistry, examining scientific statements and verisimilitude (which indicates that newer theories should have a higher degree of truth content compared with older theories). Also provides examples illustrating the use of Agassi's criteria for assessing currently fashionable theories. (JN)

  13. Supramolecular Chemistry in Water

    NARCIS (Netherlands)

    Oshovsky, Gennady V.; Reinhoudt, David N.; Verboom, Willem


    Supramolecular chemistry in water is a constantly growing research area because noncovalent interactions in aqueous media are important for obtaining a better understanding and control of the major processes in nature. This Review offers an overview of recent advances in the area of water-soluble sy

  14. Forensic Chemistry Training

    Directory of Open Access Journals (Sweden)

    Zuhal GERÇEK


    Full Text Available Increasing the types of terrorism and crime nowadays, the importance of the forensic sciences can be bett er understood. Forensic science is the application of the wide spectrum of science to answer the question of legal system. It contains the application of the principles, techniques and methods of basic sciences and its main aim is the determination of the physical facts which are important in legal situations. Forensic chemistry is the branch of chemistry which performs the chemical analysis of evidences that used in the courts. Forensic chemist is the professional chemist who analyzes the evidences from crime scene and reaches a result by application of tests. Th us, they have to have a special education. In forensic laboratories candidates who have chemistry/biochemistry undergraduate degree and took biology and forensic chemistry lectures are preferred. It is necessary to design graduate and undergraduate education to train a forensic chemist. Science education should be at the core of the undergraduate education. In addition to this strong laboratory education on both science and forensic science should be given. Th e graduate program of forensic science example should contain forensic science subjects, strong academic lectures on special subjects and research and laboratory components.

  15. Online organic chemistry (United States)

    Janowicz, Philip A.

    This is a comprehensive study of the many facets of an entirely online organic chemistry course. Online homework with structure-drawing capabilities was found to be more effective than written homework. Online lecture was found to be just as effective as in-person lecture, and students prefer an online lecture format with shorter Webcasts. Online office hours were found to be effective, and discussion sessions can be placed online as well. A model was created that explains 36.1% of student performance based on GPA, ACT Math score, grade in previous chemistry course, and attendance at various forms of discussion. Online exams have been created which test problem-solving skills and is instantly gradable. In these exams, students can submit answers until time runs out for different numbers of points. These facets were combined effectively to create an entirely online organic chemistry course which students prefer over the in-person alternative. Lastly, there is a vision for where online organic chemistry is going and what can be done to improve education for all.

  16. Array processors in chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Ostlund, N.S.


    The field of attached scientific processors (''array processors'') is surveyed, and an attempt is made to indicate their present and possible future use in computational chemistry. The current commercial products from Floating Point Systems, Inc., Datawest Corporation, and CSP, Inc. are discussed.

  17. Analytical Chemistry Laboratory (United States)

    Anderson, Mark


    The Analytical Chemistry and Material Development Group maintains a capability in chemical analysis, materials R&D failure analysis and contamination control. The uniquely qualified staff and facility support the needs of flight projects, science instrument development and various technical tasks, as well as Cal Tech.

  18. Supramolecular analytical chemistry. (United States)

    Anslyn, Eric V


    A large fraction of the field of supramolecular chemistry has focused in previous decades upon the study and use of synthetic receptors as a means of mimicking natural receptors. Recently, the demand for synthetic receptors is rapidly increasing within the analytical sciences. These classes of receptors are finding uses in simple indicator chemistry, cellular imaging, and enantiomeric excess analysis, while also being involved in various truly practical assays of bodily fluids. Moreover, one of the most promising areas for the use of synthetic receptors is in the arena of differential sensing. Although many synthetic receptors have been shown to yield exquisite selectivities, in general, this class of receptor suffers from cross-reactivities. Yet, cross-reactivity is an attribute that is crucial to the success of differential sensing schemes. Therefore, both selective and nonselective synthetic receptors are finding uses in analytical applications. Hence, a field of chemistry that herein is entitled "Supramolecular Analytical Chemistry" is emerging, and is predicted to undergo increasingly rapid growth in the near future.

  19. Computational chemistry at Janssen. (United States)

    van Vlijmen, Herman; Desjarlais, Renee L; Mirzadegan, Tara


    Computer-aided drug discovery activities at Janssen are carried out by scientists in the Computational Chemistry group of the Discovery Sciences organization. This perspective gives an overview of the organizational and operational structure, the science, internal and external collaborations, and the impact of the group on Drug Discovery at Janssen.

  20. Online Organic Chemistry (United States)

    Janowicz, Philip A.


    This is a comprehensive study of the many facets of an entirely online organic chemistry course. Online homework with structure-drawing capabilities was found to be more effective than written homework. Online lecture was found to be just as effective as in-person lecture, and students prefer an online lecture format with shorter Webcasts. Online…

  1. Evaluating Environmental Chemistry Textbooks. (United States)

    Hites, Ronald A.


    A director of the Indiana University Center for Environmental Science Research reviews textbooks on environmental chemistry. Highlights clear writing, intellectual depth, presence of problem sets covering both the qualitative and quantitative aspects of the material, and full coverage of the topics of concern. Discusses the director's own approach…

  2. Chemistry in Protoplanetary Disks

    CERN Document Server

    Henning, Thomas


    This comprehensive review summarizes our current understanding of the evolution of gas, solids and molecular ices in protoplanetary disks. Key findings related to disk physics and chemistry, both observationally and theoretically, are highlighted. We discuss which molecular probes are used to derive gas temperature, density, ionization state, kinematics, deuterium fractionation, and study organic matter in protoplanetary disks.

  3. Chemistry and Heritage (United States)

    Vittoria Barbarulo, Maria


    Chemistry is the central science, as it touches every aspect of the society we live in and it is intertwined with many aspects of our culture; in particular, the strong link between Chemistry and Archaeology and Art History is being explored, offering a penetrating insight into an area of growing interest from an educational point of view. A series of vital and vibrant examples (i.e., ancient bronzes composition, colour changes due to natural pigment decomposition, marble degradation) has been proposed, on one hand, to improve student understanding of the relationship between cultural and scientific issues arising from the examination, the conservation, and the maintenance of cultural Heritage, on the other, to illustrate the role of the underlying Chemistry. In some case studies, a survey of the most relevant atmospheric factors, which are involved in the deterioration mechanisms, has also been presented to the students. First-hand laboratory experiences have been providing an invaluable means of discovering the full and varied world of Chemistry. Furthermore, the promotion of an interdisciplinary investigation of a famous painting or fresco, involving the study of its nature and significance, the definition of its historical context, any related literature, the chemical knowledge of the materials used, may be an excellent occasion to experiment the Content and Language Integrated Learning (CLIL). The aim of this approach is to convey the important message that everyone has the responsibility to care for and preserve Heritage for the benefit of present and future generations.

  4. Nobel Prize in Chemistry (United States)


    The Royal Swedish Academy has awarded the 1999 Nobel Prize in Chemistry to Ahmed H. Zewail (California Institute of Technology, Pasadena, CA) "for his studies of the transition states of chemical reactions using femtosecond spectroscopy". Zewail's work has taken the study of the rates and mechanisms of chemical reactions to the ultimate degree of detail - the time scale of bond making and bond breaking.

  5. The Chemistry of Griseofulvin

    DEFF Research Database (Denmark)

    Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld


    Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis...

  6. Symmetry in chemistry

    CERN Document Server

    Jaffé, Hans H


    This book, devoted exclusively to symmetry in chemistry and developed in an essentially nonmathematical way, is a must for students and researchers. Topics include symmetry elements and operations, multiple symmetry operations, multiplication tables and point groups, group theory applications, and crystal symmetry. Extensive appendices provide useful tables.

  7. Computational chemistry at Janssen (United States)

    van Vlijmen, Herman; Desjarlais, Renee L.; Mirzadegan, Tara


    Computer-aided drug discovery activities at Janssen are carried out by scientists in the Computational Chemistry group of the Discovery Sciences organization. This perspective gives an overview of the organizational and operational structure, the science, internal and external collaborations, and the impact of the group on Drug Discovery at Janssen.

  8. Chemistry Education and Mythology

    Directory of Open Access Journals (Sweden)

    Sule Aycan


    Full Text Available This study aimed to investigate the effect of mythological story in teaching chemistry. To this end the students in the class were divided into two homogenous groups. While the first group was thought in a traditional way, using a mythological story thought the second group. The story used was based on a Mountain just opposite the faculty.

  9. Chemistry Is Fun. (United States)

    Yaniv, D; And Others


    Encouraging scientific thinking through open-ended experiments, allowing students access to common chemical instrumentation, and introduction to laboratory techniques are goals of a high school science laboratory program. Course content (general, inorganic, and organic chemistry), limitations, and course evaluation are discussed. (Author/JN)

  10. Green chemistry metrics (United States)

    Synthetic chemists have always had an objective to achieve reliable and high-yielding routes to the syntheses of targeted molecules. The importance of minimal waste generation has emphasized the use of green chemistry principles and sustainable development. These directions lead ...

  11. Mathematical problems for chemistry students

    CERN Document Server

    Pota, Gyorgy


    Mathematical Problems for Chemistry Students has been compiled and written (a) to help chemistrystudents in their mathematical studies by providing them with mathematical problems really occurring in chemistry (b) to help practising chemists to activate their applied mathematical skills and (c) to introduce students and specialistsof the chemistry-related fields (physicists, mathematicians, biologists, etc.) intothe world of the chemical applications.Some problems of the collection are mathematical reformulations of those in the standard textbooks of chemistry, others we

  12. Aggregate breakup in a contracting nozzle. (United States)

    Soos, Miroslav; Ehrl, Lyonel; Bäbler, Matthäus U; Morbidelli, Massimo


    The breakup of dense aggregates in an extensional flow was investigated experimentally. The flow was realized by pumping the suspension containing the aggregates through a contracting nozzle. Variation of the cluster mass distribution during the breakage process was measured by small-angle light scattering. Because of the large size of primary particles and the dense aggregate structure image analysis was used to determine the shape and structure of the produced fragments. It was found, that neither aggregate structure, characterized by a fractal dimension d(f) = 2.7, nor shape, characterized by an average aspect ratio equal to 1.5, was affected by breakage. Several passes through the nozzle were required to reach the steady state. This is explained by the radial variation of the hydrodynamic stresses at the nozzle entrance, characterized through computational fluid dynamics, which implies that only the fraction of aggregates whose strength is smaller than the local hydrodynamic stress is broken during one pass through the nozzle. Scaling of the steady-state aggregate size as a function of the hydrodynamic stress was used to determine the aggregate strength.

  13. Division of Analytical Chemistry, 1998

    DEFF Research Database (Denmark)

    Hansen, Elo Harald


    The article recounts the 1998 activities of the Division of Analytical Chemistry (DAC- formerly the Working Party on Analytical Chemistry, WPAC), which body is a division of the Federation of European Chemical Societies (FECS). Elo Harald Hansen is the Danish delegate, representing The Danish...... Chemical Society/The Society for Analytical Chemistry....

  14. Examination on Expert Chemistry Teachers’ Secondary School Chemistry Textbook Usage

    Directory of Open Access Journals (Sweden)



    Full Text Available The purpose of the study is to determine how chemistry textbooks used by expert chemistry teachers are used during teaching process in secondary education, and to find how prospective chemistry teachers evaluate the situation mentioned. Thus, a project concerned with how expert chemistry teachers use them in their classes was carried out. Based on the research context, an interview that was used to interview with expert chemistry teachers by prospective chemistry teachers was prepared by the author. Next, prospective chemistry teachers were asked to evaluate how expert chemistry teachers used textbooks. The sample group of the study consisted of 21 expert high school chemistry teachers working at schools in Balıkesir and 21 prospective chemistry teachers studying at Education Faculty of Balıkesir University during 2007-2008 academic years. The findings of the study revealed that expert chemistry teachers did not use textbooks during their teaching process while they used them as the sources of problems and exercises at the end of units. Furthermore, it was found that University Entrance Exam (OSS had an effect on how to use the textbooks by teachers.

  15. Aggregate Formed by a Cationic Fluorescence Probe

    Institute of Scientific and Technical Information of China (English)

    TIAN, Juan; SANG, Da-Yong; JI, Guo-Zhen


    The aggregation behavior of a cationic fluorescence probe 10-(4,7,10,13,16-pentaoxa-1-azacyclooctadecyl-methyl)anthracen-9-ylmethyl dodecanoate (1) was observed and studied by a fluorescence methodology in acidic and neutral conditions. By using the Py scale, differences between simple aggregates and micelles have been discussed. The stability of simple aggregates was discussed in terms of hydrophobic interaction and electrostatic repulsion. The absence of excimer emission of the anthrancene moiety of probe 1 in neutral condition was attributed to the photoinduced electron transfer mechanism instead of photodimerization.

  16. Ratio-Based Gradual Aggregation of Data

    DEFF Research Database (Denmark)

    Iftikhar, Nadeem


    Majority of databases contain large amounts of data, gathered over long intervals of time. In most cases, the data is aggregated so that it can be used for analysis and reporting purposes. The other reason of data aggregation is to reduce data volume in order to avoid over-sized databases that ma....... Gradual data aggregation is a process that reduces data volume by converting the detailed data into multiple levels of summarized data as the data gets older. This paper also describes implementation strategies of the proposed methods based on standard database technology....

  17. Linear aggregation theory in cell biology

    Energy Technology Data Exchange (ETDEWEB)

    Hill, T.L.


    This is an account of the theory, probability, and thermodynamics of linear aggregation. The emphasis is on basic principles illustrated by simple models, not on particular applications or polymers. The general physical aggregate systems - attached single-stranded polymers, single-stranded polymers modified by a second component, long multistranded polymers, attached multistranded polymers - are given extensive treatment. Also included are a discussion of the GTPase and ATPase activity accompanying the aggregation of microtubules and action, and the properties of the kinetic two-phase model of the end of a microtubule.

  18. Directional sensing and streaming in Dictyostelium aggregation. (United States)

    Almeida, Sofia; Dilão, Rui


    We merge the Kessler-Levine simple discrete model for Dictyostelium cyclic adenosine monophosphate (cAMP) production and diffusion with the Dilão-Hauser directional sensing aggregation mechanism. The resulting compound model describes all the known transient patterns that emerge during Dictyostelium aggregation, which include the spontaneous formation of cAMP self-sustained target and spiral waves and streaming. We show that the streaming patterns depend on the speed of the amoebae, on the relaxation time for the production of cAMP, on the cAMP degradation rate, and on directional sensing. Moreover, we show that different signaling centers emerge during Dictyostelium aggregation.

  19. On Aggregating Human Capital Across Heterogeneous Cohorts

    DEFF Research Database (Denmark)

    Growiec, Jakub; Groth, Christian

    Based on a general framework for computing the aggregate human capital stock under heterogeneity across population cohorts, the paper derives aggregate human capital stocks in the whole population and in the labor force, and relates these variables to average years of schooling and average work...... experience. Under the scenarios considered here, the "macro-Mincer" (log-linear) relationship between aggregate human capital and average years of schooling is obtained only in cases which are inconsistent with heterogeneity in years of schooling and based on empirically implausible demographic survival laws...

  20. Programming spiders, bots, and aggregators in Java

    CERN Document Server

    Heaton, Jeff


    The content and services available on the web continue to be accessed mostly through direct human control. But this is changing. Increasingly, users rely on automated agents that save them time and effort by programmatically retrieving content, performing complex interactions, and aggregating data from diverse sources. Programming Spiders, Bots, and Aggregators in Java teaches you how to build and deploy a wide variety of these agents-from single-purpose bots to exploratory spiders to aggregators that present a unified view of information from multiple user accounts. You will quickly build on

  1. Acid Resistance of Concrete Containing Laterite Aggregate as Partial Coarse Aggregate Replacement

    Directory of Open Access Journals (Sweden)

    K. Muthusamy


    Full Text Available In Malaysia, issues of granite aggregate depletion in future due to increasing use in concrete industry and the availability of laterite aggregate locally has initiated studies on concrete produced using laterite aggregate as partial coarse aggregate replacement. Although, replacement of laterite aggregate up to 30% able to produce concrete with the targeted strength but durability of this concrete towards acid attack yet to be investigated. Thus, this study presents and discusses the performance of concrete consisting various percentage of laterite aggregate integrated as partial coarse aggregate replacement upon exposure to acidic environment. Mixes consisting various content of laterite aggregate as partial coarse aggregate replacement ranging from 0, 10, 20, 30, 40 and 50%, respectively were prepared in form of cubes and then subjected to water curing for 28 days before immersed in hydrochloric acid solution for 1800 h. Performance of the specimens were observed through mass loss and strength reduction. Generally, durability performance of concrete produced using up to 20% of laterite aggregate is comparable to plain concrete.

  2. p53 Aggregates penetrate cells and induce the co-aggregation of intracellular p53.

    Directory of Open Access Journals (Sweden)

    Karolyn J Forget

    Full Text Available Prion diseases are unique pathologies in which the infectious particles are prions, a protein aggregate. The prion protein has many particular features, such as spontaneous aggregation, conformation transmission to other native PrP proteins and transmission from an individual to another. Protein aggregation is now frequently associated to many human diseases, for example Alzheimer's disease, Parkinson's disease or type 2 diabetes. A few proteins associated to these conformational diseases are part of a new category of proteins, called prionoids: proteins that share some, but not all, of the characteristics associated with prions. The p53 protein, a transcription factor that plays a major role in cancer, has recently been suggested to be a possible prionoid. The protein has been shown to accumulate in multiple cancer cell types, and its aggregation has also been reproduced in vitro by many independent groups. These observations suggest a role for p53 aggregates in cancer development. This study aims to test the «prion-like» features of p53. Our results show in vitro aggregation of the full length and N-terminally truncated protein (p53C, and penetration of these aggregates into cells. According to our findings, the aggregates enter cells using macropinocytosis, a non-specific pathway of entry. Lastly, we also show that once internalized by the cell, p53C aggregates can co-aggregate with endogenous p53 protein. Together, these findings suggest prion-like characteristics for p53 protein, based on the fact that p53 can spontaneously aggregate, these aggregates can penetrate cells and co-aggregate with cellular p53.

  3. Structure and kinetics of shear aggregation in turbulent flows. I. Early stage of aggregation. (United States)

    Bäbler, Matthäus U; Moussa, Amgad S; Soos, Miroslav; Morbidelli, Massimo


    Aggregation of rigid colloidal particles leads to fractal-like structures that are characterized by a fractal dimension d(f) which is a key parameter for describing aggregation processes. This is particularly true in shear aggregation where d(f) strongly influences aggregation kinetics. Direct measurement of d(f) in the early stages of shear aggregation is however difficult, as the aggregates are small and few in number. An alternative method for determining d(f) is to use an aggregation model that when fitted to the time evolution of the cluster mass distribution allows for estimating d(f). Here, we explore three such models, two of which are based on an effective collision sphere and one which directly incorporates the permeable structure of the aggregates, and we apply them for interpreting the initial aggregate growth measured experimentally in a turbulent stirred tank reactor. For the latter, three polystyrene latexes were used that differed only in the size of the primary particles (d(p) = 420, 600, and 810 nm). It was found that all three models describe initial aggregation kinetics reasonably well using, however, substantially different values for d(f). To discriminate among the models, we therefore also studied the regrowth of preformed aggregates where d(f) was experimentally accessible. It was found that only the model that directly incorporates the permeable structure of the aggregates is able to predict correctly this second type of experiments. Applying this model to the initial aggregation kinetics, we conclude that the actual initial fractal dimension is d(f) = 2.07 +/- 0.04 as found from this model.

  4. Towards "Bildung"-Oriented Chemistry Education (United States)

    Sjöström, Jesper


    This paper concerns "Bildung"-oriented chemistry education, based on a reflective and critical discourse of chemistry. It is contrasted with the dominant type of chemistry education, based on the mainstream discourse of chemistry. "Bildung"-oriented chemistry education includes not only content knowledge in chemistry, but also…

  5. Blue-emitting pyrene-based aggregates. (United States)

    Valera, Jorge S; Calbo, Joaquín; Gómez, Rafael; Ortí, Enrique; Sánchez, Luis


    The supramolecular polymerization of pyrene imidazoles 1 and 2, governed by H-bonding and C-H···π interactions, yields aggregates showing the characteristic bluish emission pattern of pyrene-based monomers.

  6. A Survey of Distributed Data Aggregation Algorithms

    CERN Document Server

    Jesus, Paulo; Almeida, Paulo Sérgio


    Distributed data aggregation is an important task, allowing the decentralized determination of meaningful global properties, that can then be used to direct the execution of other applications. The resulting values result from the distributed computation of functions like COUNT, SUM and AVERAGE. Some application examples can found to determine the network size, total storage capacity, average load, majorities and many others. In the last decade, many different approaches have been proposed, with different trade-offs in terms of accuracy, reliability, message and time complexity. Due to the considerable amount and variety of aggregation algorithms, it can be difficult and time consuming to determine which techniques will be more appropriate to use in specific settings, justifying the existence of a survey to aid in this task. This work reviews the state of the art on distributed data aggregation algorithms, providing three main contributions. First, it formally defines the concept of aggregation, characterizin...

  7. Suspensions of colloidal particles and aggregates

    CERN Document Server

    Babick, Frank


    This book addresses the properties of particles in colloidal suspensions. It has a focus on particle aggregates and the dependency of their physical behaviour on morphological parameters. For this purpose, relevant theories and methodological tools are reviewed and applied to selected examples. The book is divided into four main chapters. The first of them introduces important measurement techniques for the determination of particle size and interfacial properties in colloidal suspensions. A further chapter is devoted to the physico-chemical properties of colloidal particles—highlighting the interfacial phenomena and the corresponding interactions between particles. The book’s central chapter examines the structure-property relations of colloidal aggregates. This comprises concepts to quantify size and structure of aggregates, models and numerical tools for calculating the (light) scattering and hydrodynamic properties of aggregates, and a discussion on van-der-Waals and double layer interactions between ...

  8. Nanoscale Ionic Aggregate Morphology in Zwitterionic Copolymers (United States)

    Choi, Jae-Hong; Huyck, Rebecca; Salas-de La Cruz, David; Long, Timothy E.; Winey, Karen I.


    The morphology of two different zwitterionic copolymers, poly(sulfobetaine methacrylate-ran-butyl acrylate), and poly(sulfobetaine methacrylamide-ran-butyl acrylate) are investigated as a function of the mol % content of SBMA (7 and 9 mol %) and SBMAm (6, 10 and 13 mol %), respectively. In both copolymers, X-ray scattering results show a new structure in the material arising from ionic aggregates. The sizes of the ionic aggregates are obtained through the scattering model. The sizes of the ionic aggregates increase as the ion content increases. The application of scanning transmission electron microscopy to the study of ionomer morphology has enabled direct, model-independent visualization of the ionic aggregates. The correlation between X-ray scattering results and the real space imaging for morphology of these zwitterionic copolymers will be presented.

  9. Fish Aggregation Sites in the Florida Keys (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Spawning aggregations are an important event in the life-history of many coral reef fish species. During short time periods (typically during full moons), fish will...

  10. Concretes with red mud coarse aggregates

    Directory of Open Access Journals (Sweden)

    Dênio Ramam Carvalho de Oliveira


    Full Text Available Red mud (RM is a mineral waste, residue of the Bayer process used to obtain alumina from bauxite. While the exploration of rolled pebble damages the environment and is much more controlled by the government, the huge RM disposal areas do not stop increasing and polluting soil, rivers and groundwater sources in Amazon. In this work, the material mixtures used to produce coarse aggregates presented up to 80% of RM, 30% of metakaolin and 30% of active silica as recycled waste. Several tests were carried out to determine the aggregates physical properties and to evaluate the mechanical performance of the concretes with the new aggregates, including hydraulic abrasion strength, and the results were compared to the reference ones, i.e. rolled pebble concretes. Additionally, the sintering process neutralizes any toxic substance as occur in some RM products like tiles and bricks, and these results have encouraged an industrial or semi-industrial production of RM aggregates for concretes.

  11. Familial aggregation and childhood blood pressure. (United States)

    Wang, Xiaoling; Xu, Xiaojing; Su, Shaoyong; Snieder, Harold


    There is growing concern about elevated blood pressure (BP) in children. The evidence for familial aggregation of childhood BP is substantial. Twin studies have shown that a large part of the familial aggregation of childhood BP is due to genes. The first part of this review provides the latest progress in gene finding for childhood BP, focusing on the combined effects of multiple loci identified from the genome-wide association studies on adult BP. We further review the evidence on the contribution of the genetic components of other family risk factors to the familial aggregation of childhood BP including obesity, birth weight, sleep quality, sodium intake, parental smoking, and socioeconomic status. At the end, we emphasize the promise of using genomic-relatedness-matrix restricted maximum likelihood (GREML) analysis, a method that uses genome-wide data from unrelated individuals, in answering a number of unsolved questions in the familial aggregation of childhood BP.

  12. Control of aggregation-induced emission by DNA hybridization


    Li, Shaoguang; Langenegger, Simon Matthias; Häner, Robert


    Aggregation-induced emission (AIE) was studied by hybridization of dialkynyl-tetraphenylethylene (DATPE) modified DNA strands. Molecular aggregation and fluorescence of DATPEs are controlled by duplex formation.

  13. Geopolymerization of lightweight aggregate waste

    Directory of Open Access Journals (Sweden)

    Labrincha, J. A.


    Full Text Available Geopolymerization is a viable way to process and re-use alumino-silicate industrial waste while producing highstrength, high chemical inertia materials that can effectively immobilize other industrial by-products, and even hazardous waste. In this study industrial waste from different stages of the manufacture of lightweight expanded clay aggregate was characterized for its possible transformation, via alkali activation, to geopolymers. The ultimate aim was to assess the possibility of using such geopolymers to develop thermal and acoustic insulation panels. The containment of hazardous materials is another important application for these new materials. Geopolymers were prepared for this study with different particles size distributions and activator concentrations. Their mechanical properties, composition and microstructure were characterized and a material with promising insulating properties was produced. A preliminary analysis was conducted of the salt formation observed in these geopolymers, the chief drawback to their use.La geopolimerización es una manera viable para procesar y agregar valor a los residuos industriales de alumino-silicato dando lugar a materiales con elevadas resistencias mecánmicas, alta inercia química y que permiten encapsular otros residuos, incluso peligrosos. Los residuos industriales que proceden de diversos tipos de arcillas para la fabricación de áridos ligeros se han caracterizado para la producción de geopolímeros mediante el proceso de ataque alcalino. Su incorporación en una matriz geopolimérica permite la posibilidad de desarrollo de paneles de aislamiento (térmico y acústico. Además, la inmovilización de materiales peligrosos es un logro adicional importante. Los geopolímeros se han producido con fórmulas diferentes y se han caracterizado sus propiedades mecánicas, composición y microestructura, para dar lugar a una composición interesante con propiedades aislantes. Se ha llevado a cabo

  14. Carbohydrates in Supramolecular Chemistry. (United States)

    Delbianco, Martina; Bharate, Priya; Varela-Aramburu, Silvia; Seeberger, Peter H


    Carbohydrates are involved in a variety of biological processes. The ability of sugars to form a large number of hydrogen bonds has made them important components for supramolecular chemistry. We discuss recent advances in the use of carbohydrates in supramolecular chemistry and reveal that carbohydrates are useful building blocks for the stabilization of complex architectures. Systems are presented according to the scaffold that supports the glyco-conjugate: organic macrocycles, dendrimers, nanomaterials, and polymers are considered. Glyco-conjugates can form host-guest complexes, and can self-assemble by using carbohydrate-carbohydrate interactions and other weak interactions such as π-π interactions. Finally, complex supramolecular architectures based on carbohydrate-protein interactions are discussed.

  15. Quo vadis, analytical chemistry? (United States)

    Valcárcel, Miguel


    This paper presents an open, personal, fresh approach to the future of Analytical Chemistry in the context of the deep changes Science and Technology are anticipated to experience. Its main aim is to challenge young analytical chemists because the future of our scientific discipline is in their hands. A description of not completely accurate overall conceptions of our discipline, both past and present, to be avoided is followed by a flexible, integral definition of Analytical Chemistry and its cornerstones (viz., aims and objectives, quality trade-offs, the third basic analytical reference, the information hierarchy, social responsibility, independent research, transfer of knowledge and technology, interfaces to other scientific-technical disciplines, and well-oriented education). Obsolete paradigms, and more accurate general and specific that can be expected to provide the framework for our discipline in the coming years are described. Finally, the three possible responses of analytical chemists to the proposed changes in our discipline are discussed.

  16. Nuclear analytical chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Brune, D.; Forkman, B.; Persson, B.


    This book covers the general theories and techniques of nuclear chemical analysis, directed at applications in analytical chemistry, nuclear medicine, radiophysics, agriculture, environmental sciences, geological exploration, industrial process control, etc. The main principles of nuclear physics and nuclear detection on which the analysis is based are briefly outlined. An attempt is made to emphasise the fundamentals of activation analysis, detection and activation methods, as well as their applications. The book provides guidance in analytical chemistry, agriculture, environmental and biomedical sciences, etc. The contents include: the nuclear periodic system; nuclear decay; nuclear reactions; nuclear radiation sources; interaction of radiation with matter; principles of radiation detectors; nuclear electronics; statistical methods and spectral analysis; methods of radiation detection; neutron activation analysis; charged particle activation analysis; photon activation analysis; sample preparation and chemical separation; nuclear chemical analysis in biological and medical research; the use of nuclear chemical analysis in the field of criminology; nuclear chemical analysis in environmental sciences, geology and mineral exploration; and radiation protection.

  17. [Gaubius and medical chemistry]. (United States)

    van Gijn, Jan; Gijselhart, Joost P


    Hieronymus David Gaub (1705-1780) was the son of a protestant cloth merchant in Heidelberg. Disliking a pietistic boarding school in Halle, Germany, he came to stay with a paternal uncle who was a physician in Amsterdam. Hieronymus studied medicine in Harderwijk and in Leiden, under the guidance of Herman Boerhaave (1668-1738). In 1731 he was appointed reader (and in 1734 professor) in chemistry at the Leiden medical faculty. After Boerhaave's death he also taught medicine, but without access to hospital beds. Gaubius correctly envisaged that chemistry would become an important discipline in medicine, but was limited by the technical constraints of his time. In his textbook of general pathology (1758) he attributed disease to disturbances of not only fluids, but also solid parts, although symptoms remained the basis of his classification. The book would remain influential for several decades, until the advent of pathological anatomy.

  18. Chemistry space–time

    Directory of Open Access Journals (Sweden)

    David A. Winkler


    Full Text Available As Einstein identified so clearly, space and time are intimately related. We discuss the relationship between time and Euclidean space using spectroscopic and radioastronomical studies of interstellar chemistry as an example. Given the finite speed of light, we are clearly studying chemical reactions occurring tens of thousands of years ago that may elucidate the primordial chemistry of this planet several billion years ago. We also explore space of a different kind – chemical space, with many more dimensions than the four we associate as space–time. Vast chemical spaces also need very efficient (computational methods for their exploration to overcome this ‘curse of dimensionality’. We discuss methods by which the time to explore these new spaces can be very substantially reduced, opening the discovery useful new materials that are the key to our future.

  19. Bubble and foam chemistry

    CERN Document Server

    Pugh, Robert J


    This indispensable guide will equip the reader with a thorough understanding of the field of foaming chemistry. Assuming only basic theoretical background knowledge, the book provides a straightforward introduction to the principles and properties of foams and foaming surfactants. It discusses the key ideas that underpin why foaming occurs, how it can be avoided and how different degrees of antifoaming can be achieved, and covers the latest test methods, including laboratory and industrial developed techniques. Detailing a variety of different kinds of foams, from wet detergents and food foams, to polymeric, material and metal foams, it connects theory to real-world applications and recent developments in foam research. Combining academic and industrial viewpoints, this book is the definitive stand-alone resource for researchers, students and industrialists working on foam technology, colloidal systems in the field of chemical engineering, fluid mechanics, physical chemistry, and applied physics.

  20. Organic Chemistry in Space (United States)

    Charnley, Steven


    Astronomical observations, theoretical modeling, laboratory simulation and analysis of extraterrestrial material have enhanced our knowledge of the inventory of organic matter in the interstellar medium (ISM) and on small bodies such as comets and asteroids (Ehrenfreund & Charnley 2000). Comets, asteroids and their fragments, meteorites and interplanetary dust particles (IDPs), contributed significant amounts of extraterrestrial organic matter to the young Earth. This material degraded and reacted in a terrestrial prebiotic chemistry to form organic structures that may have served as building blocks for life on the early Earth. In this talk I will summarize our current understanding of the organic composition and chemistry of interstellar clouds. Molecules of astrobiological relevance include the building blocks of our genetic material: nucleic acids, composed of subunits such as N-heterocycles (purines and pyrimidines), sugars and amino acids. Signatures indicative of inheritance of pristine and modified interstellar material in comets and meteorites will also be discussed.

  1. Tropical Soil Chemistry

    DEFF Research Database (Denmark)

    Borggaard, Ole K.

    and environmental protection. Tropical Soil Chemistry by Ole K. Borggaard provides an overview of the composition, occurrence, properties, processes, formation, and environmental vulnerability of various tropical soil types (using American Soil Taxonomy for classification). The processes and the external factors......A new book that is particularly relevant as tropical countries experience increased pressure on land resources to improve agricultural production. To ensure sustainable land use, the potentials and limitations of different kinds of tropical soils must be known in relation to crop production...... soil chemical issues are also presented to assess when, why, and how tropical soils differ from soils in other regions. This knowledge can help agricultural specialists in the tropics establish sustainable crop production. Readers are assumed to be familiar with basic chemistry, physics...

  2. Storylines in intercalation chemistry. (United States)

    Lerf, A


    Intercalation chemistry will soon be a hundred years old. The period of greatest activity in this field of solid state chemistry and physics was from about 1970 to 1990. The intercalation reactions are defined as topotactic solid state reactions and the products--the intercalation compounds--are clearly distinguished from inclusion and interstitial compounds. After a short historical introduction emphasizing the pioneering work of Ulrich Hofmann, the central topics and concepts will be reviewed and commented on. The most important ones, in my view, are: dichalcogenide intercalation compounds, the electrochemical intercalation and the search for new battery electrodes, the physics of graphite intercalation compounds, and the staging and interstratification phenomena. The relation to other fields of actual research and the demands for forthcoming research will also be addressed.

  3. Low aggregation state diminishes ferrihydrite reactivity (United States)

    Braunschweig, Juliane; Heister, Katja; Meckenstock, Rainer U.


    Ferrihydrite is an abundant iron(oxy)hydroxide in soils and sediments and plays an important role in microbial iron cycling due to its high reactivity. Therefore, it is often synthesized and used in geomicrobiological and mineralogical studies. The reactivities of synthetic ferrihydrites vary between different studies and synthesis protocols. Hence, we synthesized five different ferrihydrites and characterized them with XRD, FTIR, XPS, and BET specific surface area. The reactivity of the ferrihydrite samples towards ascorbic acid was examined and compared with microbial reduction rates by Geobacter sulfurreducens. FTIR and XRD results show the presence of secondary, higher crystalline iron oxide phases like goethite and akaganeite for two samples. Consequently, those samples revealed lower biotic and abiotic reduction rates compared to pure ferrihydrite. Comparison of reduction rates with the specific surface area of all ferrihydrites showed neither correlation with abiotic reductive dissolution nor with microbial reduction. Especially one sample, characterized by a very low aggregation state and presence of secondary minerals, revealed a poor reactivity. We speculate that apart from the occurring secondary minerals also the low aggregation state played an important role. Decreasing aggregation diminishes the amount of kinks and edges on the surfaces, which are produced at contact sites in aggregates. According to dissolution theories, dissolution mainly starts at those surface defects and slows down with decreasing amount of defects. Furthermore, the non-aggregated ferrihydrite is free of micropores, a further stimulant for dissolution. Independent repetitions of experiments and syntheses according to the same protocol but without formation of secondary minerals, confirmed the low reactivity of the non-aggregated ferrihydrite. In summary, our results indicate that a decreasing aggregation state of ferrihydrite to a certain size does increase the reactivity

  4. Quantum mechanics in chemistry

    CERN Document Server

    Schatz, George C


    Intended for graduate and advanced undergraduate students, this text explores quantum mechanical techniques from the viewpoint of chemistry and materials science. Dynamics, symmetry, and formalism are emphasized. An initial review of basic concepts from introductory quantum mechanics is followed by chapters examining symmetry, rotations, and angular momentum addition. Chapter 4 introduces the basic formalism of time-dependent quantum mechanics, emphasizing time-dependent perturbation theory and Fermi's golden rule. Chapter 5 sees this formalism applied to the interaction of radiation and matt

  5. Analytical Chemistry in Russia. (United States)

    Zolotov, Yuri


    Research in Russian analytical chemistry (AC) is carried out on a significant scale, and the analytical service solves practical tasks of geological survey, environmental protection, medicine, industry, agriculture, etc. The education system trains highly skilled professionals in AC. The development and especially manufacturing of analytical instruments should be improved; in spite of this, there are several good domestic instruments and other satisfy some requirements. Russian AC has rather good historical roots.

  6. Green chemistry: development trajectory (United States)

    Moiseev, I. I.


    Examples of applications of green chemistry methods in heavy organic synthesis are analyzed. Compounds, which can be produced by the processing of the biomass, and the criteria for the selection of the most promising products are summarized. The current status of the ethanol production and processing is considered. The possibilities of the use of high fatty acid triglycerides, glycerol, succinic acid, and isoprene are briefly discussed. The bibliography includes 67 references.

  7. Transferases in Polymer Chemistry (United States)

    van der Vlist, Jeroen; Loos, Katja

    Transferases are enzymes that catalyze reactions in which a group is transferred from one compound to another. This makes these enzymes ideal catalysts for polymerization reactions. In nature, transferases are responsible for the synthesis of many important natural macromolecules. In synthetic polymer chemistry, various transferases are used to synthesize polymers in vitro. This chapter reviews some of these approaches, such as the enzymatic polymerization of polyesters, polysaccharides, and polyisoprene.

  8. Cholesterol impairment contributes to neuroserpin aggregation (United States)

    Giampietro, Costanza; Lionetti, Maria Chiara; Costantini, Giulio; Mutti, Federico; Zapperi, Stefano; La Porta, Caterina A. M.


    Intraneural accumulation of misfolded proteins is a common feature of several neurodegenerative pathologies including Alzheimer’s and Parkinson’s diseases, and Familial Encephalopathy with Neuroserpin Inclusion Bodies (FENIB). FENIB is a rare disease due to a point mutation in neuroserpin which accelerates protein aggregation in the endoplasmic reticulum (ER). Here we show that cholesterol depletion induced either by prolonged exposure to statins or by inhibiting the sterol reg-ulatory binding-element protein (SREBP) pathway also enhances aggregation of neuroserpin proteins. These findings can be explained considering a computational model of protein aggregation under non-equilibrium conditions, where a decrease in the rate of protein clearance improves aggregation. Decreasing cholesterol in cell membranes affects their biophysical properties, including their ability to form the vesicles needed for protein clearance, as we illustrate by a simple mathematical model. Taken together, these results suggest that cholesterol reduction induces neuroserpin aggregation, even in absence of specific neuroserpin mutations. The new mechanism we uncover could be relevant also for other neurodegenerative diseases associated with protein aggregation.

  9. Cholesterol impairment contributes to neuroserpin aggregation (United States)

    Giampietro, Costanza; Lionetti, Maria Chiara; Costantini, Giulio; Mutti, Federico; Zapperi, Stefano; La Porta, Caterina A. M.


    Intraneural accumulation of misfolded proteins is a common feature of several neurodegenerative pathologies including Alzheimer’s and Parkinson’s diseases, and Familial Encephalopathy with Neuroserpin Inclusion Bodies (FENIB). FENIB is a rare disease due to a point mutation in neuroserpin which accelerates protein aggregation in the endoplasmic reticulum (ER). Here we show that cholesterol depletion induced either by prolonged exposure to statins or by inhibiting the sterol reg-ulatory binding-element protein (SREBP) pathway also enhances aggregation of neuroserpin proteins. These findings can be explained considering a computational model of protein aggregation under non-equilibrium conditions, where a decrease in the rate of protein clearance improves aggregation. Decreasing cholesterol in cell membranes affects their biophysical properties, including their ability to form the vesicles needed for protein clearance, as we illustrate by a simple mathematical model. Taken together, these results suggest that cholesterol reduction induces neuroserpin aggregation, even in absence of specific neuroserpin mutations. The new mechanism we uncover could be relevant also for other neurodegenerative diseases associated with protein aggregation. PMID:28255164

  10. Influence of Phenylalanine on Carotenoid Aggregation (United States)

    Lu, L.; Ni, X.; Luo, X.


    The carotenoids lutein and β-carotene form, in 1:1 ethanol-water mixtures H-aggregates, of different strengths. The effects of phenylalanine on these aggregates were recorded by UV-Vis absorption, steady-state fluorescence, and Raman spectra. The H-aggregate of lutein was characterized by a large 78 nm blue shift in the absorption spectra, confirming the strong coupling between hydroxyl groups of adjacent molecules. The 15 nm blue shift in the β-carotene mixture also indicates that it was assembled by weak coupling between polyenes. After adding phenylalanine, the reducing absorption strength of the aggregates of lutein and reappearance of vibrational substructure indicate that the hydroxyl and amino groups of phenylalanine may coordinate to lutein and disaggregate the H-aggregates. However, phenylalanine had no effect on aggregates of β-carotene. The Raman spectra show three bands of carotenoids whose intensities decreased with increasing phenylalanine concentration. The frequency of ν1 corresponding to the length of the conjugated region was more sensitive to the solution of lutein. This coordination of phenylalanine to lutein could increase the length of the conjugated region. In addition, phenylalanine significantly affected the excited electronic states of carotenoids, which were crucial in the energy transfer from carotenoids to chlorophyll a in vivo.

  11. Growth hormone aggregates in the rat adenohypophysis (United States)

    Farrington, M.; Hymer, W. C.


    Although it has been known for some time that GH aggregates are contained within the rat anterior pituitary gland, the role that they might play in pituitary function is unknown. The present study examines this issue using the technique of Western blotting, which permitted visualization of 11 GH variants with apparent mol wt ranging from 14-88K. Electroelution of the higher mol wt variants from gels followed by their chemical reduction with beta-mercaptoethanol increased GH immunoassayability by about 5-fold. With the blot procedure we found 1) that GH aggregates greater than 44K were associated with a 40,000 x g sedimentable fraction; 2) that GH aggregates were not present in glands from thyroidectomized rats, but were in glands from the thyroidectomized rats injected with T4; 3) that GH aggregates were uniquely associated with a heavily granulated somatotroph subpopulation isolated by density gradient centrifugation; and 4) that high mol wt GH forms were released from the dense somatotrophs in culture, since treatment of the culture medium with beta-mercaptoethanol increased GH immunoassayability by about 5-fold. Taken together, the results show that high mol wt GH aggregates are contained in secretory granules of certain somatotrophs and are also released in aggregate form from these cells in vitro.

  12. Aggregation kinetics of coalescing polymer colloids. (United States)

    Gauer, Cornelius; Jia, Zichen; Wu, Hua; Morbidelli, Massimo


    The aggregation behavior of a soft, rubbery colloidal system with a relatively low glass transition temperature, T(g) approximately -20 degrees C, has been investigated. It is found that the average gyration and hydrodynamic radii, R(g) and R(h), measured by light scattering techniques, evolve in time in parallel, without exhibiting the crossover typical of rigid particle aggregation. Cryogenic scanning electron microscopy (cryo-SEM) images reveal sphere-like clusters, indicating that complete coalescence between particles occurs during aggregation. Since coalescence leads to a reduction in the total colloidal surface area, the surfactant adsorption equilibrium, and thus the colloidal stability, change in the course of aggregation. It is found that to simulate the observed kinetic behavior based on the population balance equations, it is necessary to assume that all the clusters are spherical and to account for variations in the colloidal stability of each aggregating particle pair with time. This indicates that, for the given system, the coalescence is very fast, i.e., its time scale is much smaller than that of the aggregation.

  13. An Identity Based Aggregate Signature from Pairings

    Directory of Open Access Journals (Sweden)

    Yike Yu


    Full Text Available An aggregate signature is a useful digital signature that supports aggregation: Given n signatures on n distinct messages from n distinct users, aggregate signature scheme is possible to aggregate all these signature into a single short signature. This single signature, along with the n original messages will convince any verifier that the n users did indeed sign the n original messages respectively (i.e., for i=1,...,n user i signed message  mi. In this paper, we propose an identity based aggregate signature scheme which requires constant pairing operations in the verification and the size of aggregate signature is independent of the number of signers. We prove that the proposed signature scheme is secure against existential forgery under adaptively chosen message and identity attack in the random oracle model assuming the intractability of the computational Diffie-Hellman problem.

  14. Aggregation of Dodecyl 1-Pyrenylmethyl Ether and Its Application in Structure-Polarity Relations of Aggregates

    Institute of Scientific and Technical Information of China (English)

    SANG,Da-Yong; TIAN,Juan; JI,Guo-Zhen


    The aggregation behavior of dodecyl 1-pyrenylmethyl ether was studied in dioxane-water mixture solvents by fluorescence techniques. The labeled pyrenyl group was effective in monitoring the polarity change of its environment during aggregation processes. Based on the structural effects such as chain-length effect, self-coiling effect,and branch-group effect on the polarity of the probe environment, the structure features of aggregates were discussed and have been used to interpret the effect of the structural features on the aggregates formed by three cholesteryl esters and three long chain alkanes.

  15. From China to the world: Science China Chemistry celebrates the International Year of Chemistry

    Institute of Scientific and Technical Information of China (English)

    ZHU XiaoWen; XUE Zi-Ling


    1 Introduction Science China Chemistry is considered the best and most comprehensive chemistry journal in China,Its primary mission is to communicate the results of basic and innovative chemistry research.The subject areas include physical chemistry,organic chemistry,inorganic chemistry,polymer chemistry,biological chemistry,environmental chemistry,and chemical engineering in the form of Feature Articles,Reviews,Communications,Articles,and News & Comments.

  16. High-efficiency pyrene-based blue light emitting diodes: Aggregation suppression using a calixarene 3D-scaffold

    KAUST Repository

    Chan, Khaileok


    An efficient blue light emitting diode based on solution processable pyrene-1,3-alt-calix[4]arene is demonstrated, providing a record current efficiency of 10.5 cd A -1 in a simple non-doped OLED configuration. Complete suppression of pyrene aggregation in the solid state is achieved by controlling chromophore dispersion using the 1,3-alt-calix[4]arene scaffold. © 2012 The Royal Society of Chemistry.

  17. Reduction and degradation of amyloid aggregates by a pulsed radio-frequency cold atmospheric plasma jet

    Energy Technology Data Exchange (ETDEWEB)

    Bayliss, D L; Walsh, J L; Iza, F; Kong, M G [Department of Electronic and Electrical Engineering, Loughborough University, Leicestershire LE11 3TU (United Kingdom); Shama, G [Department of Chemical Engineering, Loughborough University, Leicestershire LE11 3TU (United Kingdom)], E-mail:


    Surface-borne amyloid aggregates with mature fibrils are used as a non-infectious prion model to evaluate cold atmospheric plasmas (CAPs) as a prion inactivation strategy. Using a helium-oxygen CAP jet with pulsed radio-frequency (RF) excitation, amyloid aggregates deposited on freshly cleaved mica discs are reduced substantially leaving only a few spherical fragments of sub-micrometer sizes in areas directly treated by the CAP jet. Outside the light-emitting part of the CAP jet, plasma treatment results in a 'skeleton' of much reduced amyloid stacks with clear evidence of fibril fragmentation. Analysis of possible plasma species and the physical configuration of the jet-sample interaction suggests that the skeleton structures observed are unlikely to have arisen as a result of physical forces of detachment, but instead by progressive diffusion of oxidizing plasma species into porous amyloid aggregates. Composition of chemical bonds of this reduced amyloid sample is very different from that of intact amyloid aggregates. These suggest the possibility of on-site degradation by CAP treatment with little possibility of spreading contamination elsewhere , thus offering a new reaction chemistry route to protein infectivity control with desirable implications for the practical implementation of CAP-based sterilization systems.

  18. Reduction and degradation of amyloid aggregates by a pulsed radio-frequency cold atmospheric plasma jet (United States)

    Bayliss, D. L.; Walsh, J. L.; Shama, G.; Iza, F.; Kong, M. G.


    Surface-borne amyloid aggregates with mature fibrils are used as a non-infectious prion model to evaluate cold atmospheric plasmas (CAPs) as a prion inactivation strategy. Using a helium-oxygen CAP jet with pulsed radio-frequency (RF) excitation, amyloid aggregates deposited on freshly cleaved mica discs are reduced substantially leaving only a few spherical fragments of sub-micrometer sizes in areas directly treated by the CAP jet. Outside the light-emitting part of the CAP jet, plasma treatment results in a 'skeleton' of much reduced amyloid stacks with clear evidence of fibril fragmentation. Analysis of possible plasma species and the physical configuration of the jet-sample interaction suggests that the skeleton structures observed are unlikely to have arisen as a result of physical forces of detachment, but instead by progressive diffusion of oxidizing plasma species into porous amyloid aggregates. Composition of chemical bonds of this reduced amyloid sample is very different from that of intact amyloid aggregates. These suggest the possibility of on-site degradation by CAP treatment with little possibility of spreading contamination elsewhere , thus offering a new reaction chemistry route to protein infectivity control with desirable implications for the practical implementation of CAP-based sterilization systems.

  19. Spotlight on medicinal chemistry education. (United States)

    Pitman, Simone; Xu, Yao-Zhong; Taylor, Peter; Turner, Nicholas; Coaker, Hannah; Crews, Kasumi


    The field of medicinal chemistry is constantly evolving and it is important for medicinal chemists to develop the skills and knowledge required to succeed and contribute to the advancement of the field. Future Medicinal Chemistry spoke with Simone Pitman (SP), Yao-Zhong Xu (YX), Peter Taylor (PT) and Nick Turner (NT) from The Open University (OU), which offers an MSc in Medicinal Chemistry. In the interview, they discuss the MSc course content, online teaching, the future of medicinal chemistry education and The OU's work towards promoting widening participation. SP is a Qualifications Manager in the Science Faculty at The OU. She joined The OU in 1993 and since 1998 has been involved in the Postgraduate Medicinal Chemistry provision at The OU. YX is a Senior Lecturer in Bioorganic Chemistry at The OU. He has been with The OU from 2001, teaching undergraduate courses of all years and chairing the master's course on medicinal chemistry. PT is a Professor of Organic Chemistry at The OU and has been involved with the production and presentation of The OU courses in Science and across the university for over 30 years, including medicinal chemistry modules at postgraduate level. NT is a Lecturer in Analytical Science at The OU since 2009 and has been involved in the production of analytical sciences courses, as well as contributing to the presentation of a number of science courses including medicinal chemistry.

  20. Nanotubular J-aggregates and quantum dots coupled for efficient resonance excitation energy transfer. (United States)

    Qiao, Yan; Polzer, Frank; Kirmse, Holm; Steeg, Egon; Kühn, Sergei; Friede, Sebastian; Kirstein, Stefan; Rabe, Jürgen P


    Resonant coupling between distinct excitons in organic supramolecular assemblies and inorganic semiconductors is supposed to offer an approach to optoelectronic devices. Here, we report on colloidal nanohybrids consisting of self-assembled tubular J-aggregates decorated with semiconductor quantum dots (QDs) via electrostatic self-assembly. The role of QDs in the energy transfer process can be switched from a donor to an acceptor by tuning its size and thereby the excitonic transition energy while keeping the chemistry unaltered. QDs are located within a close distance (energy transfer coupling, which is around 92% in the case of energy transfer from the QD donor to the J-aggregate acceptor and approximately 20% in the reverse case. This system provides a model of an organic-inorganic light-harvesting complex using methods of self-assembly in aqueous solution, and it highlights a route toward hierarchical synthesis of structurally well-defined supramolecular objects with advanced functionality.

  1. Glassy state on the undergraduate course in chemistry (physical chemistry).


    Yamaki, SB; Pedroso, AG; ATVARS, TDZ


    We consider the relevance of the study of the glassy state properties and the glass transition as important topics of the physical chemistry for undergraduate courses of Chemistry. Two of the most important theoretical approaches for the description of the glassy state, the thermodynamic and the kinetic models, are summarized with emphasis on the physical chemistry aspects. Examples illustrating the glass transition of some materials are also presented.

  2. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry


    Marek Tobiszewski; Mariusz Marć; Agnieszka Gałuszka; Jacek Namieśnik


    The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-establis...

  3. Sulcatol: Synthesis of an Aggregation Pheromone. (United States)

    Black, Shirley-Ann; Slessor, Keith N.


    Provides background information on and experimental procedures for the preparation of sulcatol, an insect chemical. Includes physical properties of sulcatol derivatives and time required to complete experiments in the undergraduate organic chemistry laboratory. (Author/SK)

  4. Regulated protein aggregation: stress granules and neurodegeneration

    Directory of Open Access Journals (Sweden)

    Wolozin Benjamin


    Full Text Available Abstract The protein aggregation that occurs in neurodegenerative diseases is classically thought to occur as an undesirable, nonfunctional byproduct of protein misfolding. This model contrasts with the biology of RNA binding proteins, many of which are linked to neurodegenerative diseases. RNA binding proteins use protein aggregation as part of a normal regulated, physiological mechanism controlling protein synthesis. The process of regulated protein aggregation is most evident in formation of stress granules. Stress granules assemble when RNA binding proteins aggregate through their glycine rich domains. Stress granules function to sequester, silence and/or degrade RNA transcripts as part of a mechanism that adapts patterns of local RNA translation to facilitate the stress response. Aggregation of RNA binding proteins is reversible and is tightly regulated through pathways, such as phosphorylation of elongation initiation factor 2α. Microtubule associated protein tau also appears to regulate stress granule formation. Conversely, stress granule formation stimulates pathological changes associated with tau. In this review, I propose that the aggregation of many pathological, intracellular proteins, including TDP-43, FUS or tau, proceeds through the stress granule pathway. Mutations in genes coding for stress granule associated proteins or prolonged physiological stress, lead to enhanced stress granule formation, which accelerates the pathophysiology of protein aggregation in neurodegenerative diseases. Over-active stress granule formation could act to sequester functional RNA binding proteins and/or interfere with mRNA transport and translation, each of which might potentiate neurodegeneration. The reversibility of the stress granule pathway also offers novel opportunities to stimulate endogenous biochemical pathways to disaggregate these pathological stress granules, and perhaps delay the progression of disease.

  5. From organic chemistry to fat and oil chemistry*


    Deffense Etienne


    With his work on animal fat and identification of fatty acids, Chevreul was a pioneer in organic chemistry. As Chevreul, I had a passion for organic chemistry too. It was then, an honour and a pleasure to present in 2008 at EFL in Athens this presentation entitled “From organic chemistry to fat and oil chemistry” because my background in organic chemistry helped me all along my professional career to understand and implement new developments related to oil and fat technology and processing. A...

  6. An Evaluation of Chemistry I Textbook by Chemistry Teachers

    Directory of Open Access Journals (Sweden)

    Abdullah AYDIN


    Full Text Available Textbooks are one of the most consulted sources in the processes of teaching- learning and assessment. It is indispensable to prepare textbooks in accordance with the curriculum to ensure effective teaching and learning. “Teacher evaluation questionnaire” consistingof 20 questions has been prepared to evaluate secondary level IXth class chemistry textbook in terms of its content. This questionnaire was carried out with 31 secondary level chemistry teachers who work in the public schools and 19 chemistry teachers who work in the private courses. According to the results obtained, chemistry teachers think that there are some deficiencies and obstacles in the application of this textbook.

  7. A Novel Method to Quantify Soil Aggregate Stability by Measuring Aggregate Bond Energies (United States)

    Efrat, Rachel; Rawlins, Barry G.; Quinton, John N.; Watts, Chris W.; Whitmore, Andy P.


    Soil aggregate stability is a key indicator of soil quality because it controls physical, biological and chemical functions important in cultivated soils. Micro-aggregates are responsible for the long term sequestration of carbon in soil, therefore determine soils role in the carbon cycle. It is thus vital that techniques to measure aggregate stability are accurate, consistent and reliable, in order to appropriately manage and monitor soil quality, and to develop our understanding and estimates of soil as a carbon store to appropriately incorporate in carbon cycle models. Practices used to assess the stability of aggregates vary in sample preparation, operational technique and unit of results. They use proxies and lack quantification. Conflicting results are therefore drawn between projects that do not provide methodological or resultant comparability. Typical modern stability tests suspend aggregates in water and monitor fragmentation upon exposure to an un-quantified amount of ultrasonic energy, utilising a laser granulometer to measure the change in mean weight diameter. In this project a novel approach has been developed based on that of Zhu et al., (2009), to accurately quantify the stability of aggregates by specifically measuring their bond energies. The bond energies are measured operating a combination of calorimetry and a high powered ultrasonic probe, with computable output function. Temperature change during sonication is monitored by an array of probes which enables calculation of the energy spent heating the system (Ph). Our novel technique suspends aggregates in heavy liquid lithium heteropolytungstate, as opposed to water, to avoid exposing aggregates to an immeasurable disruptive energy source, due to cavitation, collisions and clay swelling. Mean weight diameter is measured by a laser granulometer to monitor aggregate breakdown after successive periods of calculated ultrasonic energy input (Pi), until complete dispersion is achieved and bond

  8. Sixty Years of Chemistry at CAS

    Institute of Scientific and Technical Information of China (English)

    WAN Li-Jun


    @@ As one of the fundamental and key disciplines of natural sciences, chemistry deals with the properties, composition, structure, transformation and applications of substances.It could be further divided into several branches, such as inorganic chemistry, organic chemistry, physical chemistry, polymer chemistry, analytical chemistry and chemical engineering.In recent years, many new branches and fields have emerged amide the continuous development of chemistry and its interdisciplinary research with mathematics, physics, astronomy, earth science, biology, medical science, materials science, and environmental science.

  9. Protein Aggregation Inhibitors for ALS Therapy (United States)


    well as the development of novel organic bases. Since then, he has been an instructor of chemistry at Northeastern Illinois University, teaching in general, organic, and more recently toxicological chemistry and pharmacology, in addition to teaching in the Urban Health Program at the...Tetrahedron Lett. 2013, 54, 573−575. (35) Becke, A. D. Density-functional thermochemistry . III. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648−5652

  10. Sex and Aggregation-Sex Pheromones of Cerambycid Beetles: Basic Science and Practical Applications. (United States)

    Hanks, Lawrence M; Millar, Jocelyn G


    Research since 2004 has shown that the use of volatile attractants and pheromones is widespread in the large beetle family Cerambycidae, with pheromones now identified from more than 100 species, and likely pheromones for many more. The pheromones identified to date from species in the subfamilies Cerambycinae, Spondylidinae, and Lamiinae are all male-produced aggregation-sex pheromones that attract both sexes, whereas all known examples for species in the subfamilies Prioninae and Lepturinae are female-produced sex pheromones that attract only males. Here, we summarize the chemistry of the known pheromones, and the optimal methods for their collection, analysis, and synthesis. Attraction of cerambycids to host plant volatiles, interactions between their pheromones and host plant volatiles, and the implications of pheromone chemistry for invasion biology are discussed. We also describe optimized traps, lures, and operational parameters for practical applications of the pheromones in detection, sampling, and management of cerambycids.

  11. Spatial Prediction of Soil Aggregate Stability and Aggregate-Associated Organic Carbon Content at the Catchment Scale Using Geostatistical Techniques

    Institute of Scientific and Technical Information of China (English)



    The association of organic carbon with secondary parzicles (aggregates) results in its storage and retention in soil. A study was carried out at a catchment covering about 92 km2 to predict spatial variability of soil water-stable aggregates (WSA), mean weight diameter (MWD) of aggregates and organic carbon (OC) content in macro- (> 2 mm), meso- (1-2 mm), and micro-aggregate (< 1 mm) fractions, using geostatistical methods. One hundred and eleven soil samples were c(o)llected at the 0-10 cm depth and fractionated into macro-, meso-, and micro-aggregates by wet sieving. The OC content was determined for each fraction. A greater percentage of water-stable aggregates was found for micro-aggregates, followed by meso-aggregates. Aggregate OC content was greatest in meso-aggregates (9 g kg-1), followed by micro-aggregates (7 g kg-1), while the least OC content was found in macro-aggregates (3 g kg-1). Although a significart effect (P = 0.000) of aggregate size on aggregate OC content was found, however, our findings did not support the model of aggregate hierarchy.Land use had a significant effect (P = 0.073) on aggregate OC content. The coefficients of variation (CVs) for OC contents associated with each aggregate fraction indicated macro-aggregates as the most variable (CV = 71%). Among the aggregate fractions, the micro-aggregate fraction had a lower CV value of 27%. The mean content of WSA ranged from 15% for macro-aggregates to 84% for micro-aggregates. Geostatistical analysis showed that the measured soil variables exhibited differences in their spatial patterns in both magnitude and space at each aggregate size fraction. The relative nugget variance for most aggregate-associated properties was lower than 45%. The range value for the variogram of water-stable aggregates was almost similar (about 3 km) for the three studied aggregate size classes. The range value for the variogram of aggregate-associated OC contents ranged from about 3 km for macro-aggregates

  12. The THS experiment: probing Titan's atmospheric chemistry at low temperature (United States)

    Sciamma-O'Brien, Ella; Upton, Kathleen; Beauchamp, Jack L; Salama, Farid


    In Titan’s atmosphere, a complex chemistry between N2 and CH4 occurs at temperatures lower than 200K and leads to the production of heavy molecules and subsequently solid aerosols that form the haze surrounding Titan. The Titan Haze Simulation (THS) experiment has been developed at the NASA Ames COSmIC facility to study Titan’s atmospheric chemistry at low temperature in order to help interpret Cassini’s observational data. In the THS, the chemistry is simulated by plasma in the stream of a supersonic expansion. With this unique design, the gas is jet-cooled to Titan-like temperature 150K) before inducing the chemistry by plasma, and remains at low temperature in the plasma discharge 200K). Different N2-CH4-based gas mixtures can be injected in the plasma, with or without the addition of heavier precursors present as trace elements on Titan. Both the gas phase and solid phase products resulting from the plasma-induced chemistry can be monitored and analyzed using a combination of complementary in situ and ex situ diagnostics.Here we present the complementary results of two studies of the gas and solid phase. A Mass spectrometry analysis of the gas phase has demonstrated that the THS experiment is a unique tool to probe the first and intermediate steps as well as specific chemical pathways of Titan’s atmospheric chemistry at Titan-like temperature. The more complex chemistry, observed in the gas phase when adding trace elements to the initial N2-CH4 mixture, has also been confirmed by an extensive study of the solid phase products: Scanning Electron Microscopy images have shown that aggregates produced in N2-CH4-C2H2-C6H6 mixtures (up to 5 μm in diameter) are much larger than those produced in N2-CH4 mixtures (0.1-0.5 μm), and Nuclear Magnetic Resonance results support a growth evolution of the chemistry when adding acetylene to the N2-CH4 mixture, resulting in the production of more complex hydrogen bonds than with a simple N2-CH4 mixture

  13. Green Chemistry: Progress and Barriers (United States)

    Green, Sarah A.


    Green chemistry can advance both the health of the environment and the primary objectives of the chemical enterprise: to understand the behavior of chemical substances and to use that knowledge to make useful substances. We expect chemical research and manufacturing to be done in a manner that preserves the health and safety of workers; green chemistry extends that expectation to encompass the health and safety of the planet. While green chemistry may currently be treated as an independent branch of research, it should, like safety, eventually become integral to all chemistry activities. While enormous progress has been made in shifting from "brown" to green chemistry, much more effort is needed to effect a sustainable economy. Implementation of new, greener paradigms in chemistry is slow because of lack of knowledge, ends-justify-the-means thinking, systems inertia, and lack of financial or policy incentives.

  14. Aspects Concerning the Use of Recycled Concrete Aggregates (United States)

    Robu, I.; Mazilu, C.; Deju, R.


    Natural aggregates (gravel and crushed) are essential non-renewable resources which are used for infrastructure works and civil engineering. Using recycled concrete aggregates (RCA) is a matter of high priority in the construction industry worldwide. This paper presents a study on the use of recycled aggregates, from a concrete of specified class, to acquire new cement concrete with different percentages of recycled aggregates.

  15. Metaconcrete: Engineered aggregates for enhanced dynamic performance (United States)

    Mitchell, Stephanie J.

    This work presents the development and investigation of a new type of concrete for the attenuation of waves induced by dynamic excitation. Recent progress in the field of metamaterials science has led to a range of novel composites which display unusual properties when interacting with electromagnetic, acoustic, and elastic waves. A new structural metamaterial with enhanced properties for dynamic loading applications is presented, which is named metaconcrete. In this new composite material the standard stone and gravel aggregates of regular concrete are replaced with spherical engineered inclusions. Each metaconcrete aggregate has a layered structure, consisting of a heavy core and a thin compliant outer coating. This structure allows for resonance at or near the eigenfrequencies of the inclusions, and the aggregates can be tuned so that resonant oscillations will be activated by particular frequencies of an applied dynamic loading. The activation of resonance within the aggregates causes the overall system to exhibit negative effective mass, which leads to attenuation of the applied wave motion. To investigate the behavior of metaconcrete slabs under a variety of different loading conditions a finite element slab model containing a periodic array of aggregates is utilized. The frequency dependent nature of metaconcrete is investigated by considering the transmission of wave energy through a slab, which indicates the presence of large attenuation bands near the resonant frequencies of the aggregates. Applying a blast wave loading to both an elastic slab and a slab model that incorporates the fracture characteristics of the mortar matrix reveals that a significant portion of the supplied energy can be absorbed by aggregates which are activated by the chosen blast wave profile. The transfer of energy from the mortar matrix to the metaconcrete aggregates leads to a significant reduction in the maximum longitudinal stress, greatly improving the ability of the material

  16. Structure and aggregation in model tetramethylurea solutions

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Rini; Patey, G. N., E-mail: [Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada)


    The structure of model aqueous tetramethylurea (TMU) solutions is investigated employing large-scale (32 000, 64 000 particles) molecular dynamics simulations. Results are reported for TMU mole fractions, X{sub t}, ranging from infinite dilution up to 0.07, and for two temperatures, 300 and 330 K. Two existing force fields for TMU-water solutions are considered. These are the GROMOS 53A6 united-atom TMU model combined with SPC/E water [TMU(GROMOS-UA)/W(SPC/E)], and the more frequently employed AMBER03 all-atom force field for TMU combined with the TIP3P water model [TMU(AMBER-AA)/W(TIP3P)]. It is shown that TMU has a tendency towards aggregation for both models considered, but the tendency is significantly stronger for the [TMU(AMBER-AA)/W(TIP3P)] force field. For this model signs of aggregation are detected at X{sub t} = 0.005, aggregation is a well established feature of the solution at X{sub t} = 0.02, and the aggregates increase further in size with increasing concentration. This is in agreement with at least some experimental studies, which report signals of aggregation in the low concentration regime. The TMU aggregates exhibit little structure and are simply loosely ordered, TMU-rich regions of solution. The [TMU(GROMOS-UA)/W(SPC/E)] model shows strong signs of aggregation only at higher concentrations (X{sub t} ≳ 0.04), and the aggregates appear more loosely ordered, and less well-defined than those occurring in the [TMU(AMBER-AA)/W(TIP3P)] system. For both models, TMU aggregation increases when the temperature is increased from 300 to 330 K, consistent with an underlying entropy driven, hydrophobic interaction mechanism. At X{sub t} = 0.07, the extra-molecular correlation length expected for microheterogeneous solutions has become comparable with the size of the simulation cell for both models considered, indicating that even the systems simulated here are sufficiently large only at low concentrations.


    Energy Technology Data Exchange (ETDEWEB)

    Authors, Various


    Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

  18. Aggregate Particles in the Plumes of Enceladus

    CERN Document Server

    Gao, Peter; Zhang, Xi; Ingersoll, Andrew P


    Estimates of the total particulate mass of the plumes of Enceladus are important to constrain theories of particle formation and transport at the surface and interior of the satellite. We revisit the calculations of Ingersoll and Ewald (2011), who estimated the particulate mass of the Enceladus plumes from strongly forward scattered light in Cassini ISS images. We model the plume as a combination of spherical particles and irregular aggregates resulting from the coagulation of spherical monomers, the latter of which allows for plumes of lower particulate mass. Though a continuum of solutions are permitted by the model, the best fits to the ISS data consist either of low mass plumes composed entirely of small aggregates or high mass plumes composed of large aggregates and spheres. The high mass plumes can be divided into a population of large aggregates with total particulate mass of 116 +/- 12 X 10^3 kg, and a mixed population of spheres and aggregates consisting of a few large monomers that has a total plume...

  19. Soil aggregation under different management systems

    Directory of Open Access Journals (Sweden)

    Cibele Mascioli Rebello Portella


    Full Text Available Considering that the soil aggregation reflects the interaction of chemical, physical and biological soil factors, the aim of this study was evaluate alterations in aggregation, in an Oxisol under no-tillage (NT and conventional tillage (CT, since over 20 years, using as reference a native forest soil in natural state. After analysis of the soil profile (cultural profile in areas under forest management, samples were collected from the layers 0-5, 5-10, 10-20 and 20-40 cm, with six repetitions. These samples were analyzed for the aggregate stability index (ASI, mean weighted diameter (MWD, mean geometric diameter (MGD in the classes > 8, 8-4, 4-2, 2-1, 1-0.5, 0.5-0.25, and < 0.25 mm, and for physical properties (soil texture, water dispersible clay (WDC, flocculation index (FI and bulk density (Bd and chemical properties (total organic carbon - COT, total nitrogen - N, exchangeable calcium - Ca2+, and pH. The results indicated that more intense soil preparation (M < NT < PC resulted in a decrease in soil stability, confirmed by all stability indicators analyzed: MWD, MGD, ASI, aggregate class distribution, WDC and FI, indicating the validity of these indicators in aggregation analyses of the studied soil.

  20. Chemistry and Science Fiction (United States)

    Stocker, Jack H.


    This lively collection looks at science as filtered through literature, film, and television. It discusses classic works in science fiction and provides an in-depth look at the chemistry depicted in popular culture, particularly in Start Trek , Star Wars , and Doctor Who . It includes an examination by Nebula Award winner Connie Willis of how science fiction authors use science, and reprints two tongue-in-cheek short stories by Isaac Asimov. The book also includes suggestions for using science fiction as an educational resource.

  1. Analytical chemistry in space

    CERN Document Server

    Wainerdi, Richard E


    Analytical Chemistry in Space presents an analysis of the chemical constitution of space, particularly the particles in the solar wind, of the planetary atmospheres, and the surfaces of the moon and planets. Topics range from space engineering considerations to solar system atmospheres and recovered extraterrestrial materials. Mass spectroscopy in space exploration is also discussed, along with lunar and planetary surface analysis using neutron inelastic scattering. This book is comprised of seven chapters and opens with a discussion on the possibilities for exploration of the solar system by

  2. Organic iodine chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Dickinson, S. E-mail:; Sims, H.E.; Belval-Haltier, E.; Jacquemain, D.; Poletiko, C.; Funke, F.; Hellmann, S.; Karjunen, T.; Zilliacus, R


    A shared-cost action on Organic Iodine Chemistry has been completed as part of the CEC 4th Framework programme on Nuclear Fission Safety. Organisations from four EC countries are involved in an integrated programme of experiments and analysis to help clarify the phenomenology, and to increase confidence in the modelling of iodine behaviour in containment. The project is focused on identifying the main routes for organic iodine formation, and providing new experimental kinetic data which will be used to improve existing models and to stimulate code development.

  3. The Chemistry of Griseofulvin

    DEFF Research Database (Denmark)

    Petersen, Asger Bjørn; Rønnest, Mads Holger; Larsen, Thomas Ostenfeld;


    Specific synthetic routes are presented in schemes to illustrate the chemistry, and the analogs are presented in a table format to give an accessible overview of the structures. Several patents have been published regarding the properties of griseofulvin and its derivatives including synthesis......, formulation, and their medicinal and agricultural applications. The antifungal mode-of-action of griseofulvin has been the subject of considerable research efforts and some debate over the years, a discussion that is still ongoing. Griseofulvin was one of the first antifungal natural products found...

  4. Radiochemistry and nuclear chemistry

    CERN Document Server

    Choppin, Gregory; RYDBERG, JAN; Ekberg, Christian


    Radiochemistry or nuclear chemistry is the study of radiation from an atomic and molecular perspective, including elemental transformation and reaction effects, as well as physical, health and medical properties. This revised edition of one of the earliest and best-known books on the subject has been updated to bring into teaching the latest developments in research and the current hot topics in the field. To further enhance the functionality of this text, the authors have added numerous teaching aids, examples in MathCAD with variable quantities and options, hotlinks to relevant text secti

  5. Quantum chemistry an introduction

    CERN Document Server

    Kauzmann, Walter


    Quantum Chemistry: An Introduction provides information pertinent to the fundamental aspects of quantum mechanics. This book presents the theory of partial differentiation equations by using the classical theory of vibrations as a means of developing physical insight into this essential branch of mathematics.Organized into five parts encompassing 16 chapters, this book begins with an overview of how quantum mechanical deductions are made. This text then describes the achievements and limitations of the application of quantum mechanics to chemical problems. Other chapters provide a brief survey

  6. Process Analytical Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Veltkamp, David J.(VISITORS); Doherty, Steve D.(BCO); Anderson, B B.(VISITORS); Koch, Mel (University of Washington); Bond, Leonard J.(BATTELLE (PACIFIC NW LAB)); Burgess, Lloyd W.(VISITORS); Ullman, Alan H.(UNKNOWN); Bamberger, Judith A.(BATTELLE (PACIFIC NW LAB)); Greenwood, Margaret S.(BATTELLE (PACIFIC NW LAB))


    This review of process analytical chemistry is an update to the previous review on this subject published in 1995(A2). The time period covered for this review includes publications written or published from late 1994 until early 1999, with the addition of a few classic references pointing to background information critical to an understanding of a specific topic area. These older references have been critically included as established fundamental works. New topics covered in this review not previously treated as separate subjects in past reviews include sampling systems, imaging (via optical spectroscopy), and ultrasonic analysis.

  7. Chemistry in aircraft plumes

    Energy Technology Data Exchange (ETDEWEB)

    Kraabol, A.G.; Stordal, F.; Knudsen, S. [Norwegian Inst. for Air Research, Kjeller (Norway); Konopka, P. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere


    An expanding plume model with chemistry has been used to study the chemical conversion of NO{sub x} to reservoir species in aircraft plumes. The heterogeneous conversion of N{sub 2}O{sub 5} to HNO{sub 3}(s) has been investigated when the emissions take place during night-time. The plume from an B747 has been simulated. During a ten-hour calculation the most important reservoir species was HNO{sub 3} for emissions at noon. The heterogeneous reactions had little impact on the chemical loss of NO{sub x} to reservoir species for emissions at night. (author) 4 refs.

  8. Introduction to Coordination Chemistry

    CERN Document Server

    Lawrance, Geoffrey Alan


    Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.

  9. Phoenix's Wet Chemistry Lab (United States)


    This is an illustration of soil analysis on NASA's Phoenix Mars Lander's Wet Chemistry Lab (WCL) on board the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument. By dissolving small amounts of soil in water, WCL will attempt to determine the pH, the abundance of minerals such as magnesium and sodium cations or chloride, bromide and sulfate anions, as well as the conductivity and redox potential. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  10. Nuclear Chemistry and Services

    Energy Technology Data Exchange (ETDEWEB)

    Vandevelde, L


    The objectives, the programme, and the achievements of R and D at the Belgian Nuclear Research Centre SCK-CEN in the field of nuclear chemistry and analytical techniques are summarized. Major achievement in 2001 included the completion of a project on the measurement of critical radionuclides in reactor waste fluxes (the ARIANE project), the radiochemical characterisation of beryllium material originating from the second matrix of the BR2 reactor as well as to a the organisation of a workshop on the analysis of thorium and its isotopes in workplace materials.

  11. Sustainable chemistry metrics. (United States)

    Calvo-Flores, Francisco García


    Green chemistry has developed mathematical parameters to describe the sustainability of chemical reactions and processes, in order to quantify their environmental impact. These parameters are related to mass and energy magnitudes, and enable analyses and numerical diagnoses of chemical reactions. The environmental impact factor (E factor), atom economy, and reaction mass efficiency have been the most influential metrics, and they are interconnected by mathematical equations. The ecodesign concept must also be considered for complex industrial syntheses, as a part of the sustainability of manufacturing processes. The aim of this Concept article is to identify the main parameters for evaluating undesirable environmental consequences.

  12. Phoenix's Wet Chemistry Lab (United States)


    This is an illustration of the analytical procedure of NASA's Phoenix Mars Lander's Wet Chemistry Lab (WCL) on board the Microscopy, Electrochemistry, and Conductivity Analyzer (MECA) instrument. By dissolving small amounts of soil in water, WCL can determine the pH, the abundance of minerals such as magnesium and sodium cations or chloride, bromide and sulfate anions, as well as the conductivity and redox potential. The Phoenix Mission is led by the University of Arizona, Tucson, on behalf of NASA. Project management of the mission is by NASA's Jet Propulsion Laboratory, Pasadena, Calif. Spacecraft development is by Lockheed Martin Space Systems, Denver.

  13. Principles of quantum chemistry

    CERN Document Server

    George, David V


    Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems.This book describes chemical bonding and its two specific problems - bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum c

  14. Soil aggregation and aggregating agents as affected by long term contrasting management of an Anthrosol (United States)

    Zhang, Shulan; Wang, Renjie; Yang, Xueyun; Sun, Benhua; Li, Qinghui


    Soil aggregation was studied in a 21-year experiment conducted on an Anthrosol. The soil management regimes consisted of cropland abandonment, bare fallow without vegetation and cropping system. The cropping system was combined with the following nutrient management treatments: control (CONTROL, no nutrient input); nitrogen, phosphorus and potassium (NPK); straw plus NPK (SNPK); and manure (M) plus NPK (MNPK). Compared with the CONTROL treatment, the abandonment treatment significantly increased the formation of large soil macroaggregates (>2 mm) and consequently improved the stability of aggregates in the surface soil layer due to enhancement of hyphal length and of soil organic matter content. However, in response to long-term bare fallow treatment aggregate stability was low, as were the levels of aggregating agents. Long term fertilization significantly redistributed macroaggregates; this could be mainly ascribed to soil organic matter contributing to the formation of 0.5–2 mm classes of aggregates and a decrease in the formation of the >2 mm class of aggregates, especially in the MNPK treatment. Overall, hyphae represented a major aggregating agent in both of the systems tested, while soil organic compounds played significantly different roles in stabilizing aggregates in Anthrosol when the cropping system and the soil management regimes were compared.

  15. Aggregation Pheromone System: A Real-parameter Optimization Algorithm using Aggregation Pheromones as the Base Metaphor (United States)

    Tsutsui, Shigeyosi

    This paper proposes an aggregation pheromone system (APS) for solving real-parameter optimization problems using the collective behavior of individuals which communicate using aggregation pheromones. APS was tested on several test functions used in evolutionary computation. The results showed APS could solve real-parameter optimization problems fairly well. The sensitivity analysis of control parameters of APS is also studied.

  16. Oil-Price Shocks: Beyond Standard Aggregate Demand/Aggregate Supply Analysis. (United States)

    Elwood, S. Kirk


    Explores the problems of portraying oil-price shocks using the aggregate demand/aggregate supply model. Presents a simple modification of the model that differentiates between production and absorption of goods, which enables it to better reflect the effects of oil-price shocks on open economies. (RLH)

  17. Green chemistry: principles and practice. (United States)

    Anastas, Paul; Eghbali, Nicolas


    Green Chemistry is a relatively new emerging field that strives to work at the molecular level to achieve sustainability. The field has received widespread interest in the past decade due to its ability to harness chemical innovation to meet environmental and economic goals simultaneously. Green Chemistry has a framework of a cohesive set of Twelve Principles, which have been systematically surveyed in this critical review. This article covers the concepts of design and the scientific philosophy of Green Chemistry with a set of illustrative examples. Future trends in Green Chemistry are discussed with the challenge of using the Principles as a cohesive design system (93 references).

  18. Solid state chemistry an introduction

    CERN Document Server

    Smart, Lesley E


    ""Smart and Moore are engaging writers, providing clear explanations for concepts in solid-state chemistry from the atomic/molecular perspective. The fourth edition is a welcome addition to my bookshelves. … What I like most about Solid State Chemistry is that it gives simple clear descriptions for a large number of interesting materials and correspondingly clear explanations of their applications. Solid State Chemistry could be used for a solid state textbook at the third or fourth year undergraduate level, especially for chemistry programs. It is also a useful resource for beginning graduate

  19. Podcasts in the Chemistry Teaching

    Directory of Open Access Journals (Sweden)

    Bruno Silva Leite


    Full Text Available Information and Communication Technologies (ICT provide facilities in teaching through education. There are many new tools and methodologies that use ICT as a knowledge-building support, but that are not always related to pedagogical practice. The Podcast is an important technology that can be used in the classroom. Using this tool, it can make the most interactive chemistry class, fleeing the classroom routine. However, it is necessary to point out that the podcast is just one feature that should be incorporated into education and not a substitute. This paper describes the development of Chemistry Podcasts by teachers and chemistry students in three disciplines in 2015. This study took place over a one-year period in a public University, in Pernambuco, Brazil. In the discipline of "Computer applied to the teaching of chemistry" participated 21 Chemistry teachers. In the disciplines of "Information and Communication Technologies in the teaching of chemistry" and "Informatics, Chemistry and Education" was composed of 54 undergraduate students in chemistry. Twelve podcasts were elaborated by students and five by teachers in this paper we present only nine. The results showed the contribution of podcasts produced by teachers and students in teaching and learning process chemistry. DOI:

  20. The physical basis of chemistry

    CERN Document Server

    Warren, Warren S


    If the text you're using for general chemistry seems to lack sufficient mathematics and physics in its presentation of classical mechanics, molecular structure, and statistics, this complementary science series title may be just what you're looking for. Written for the advanced lower-division undergraduate chemistry course, The Physical Basis of Chemistry, Second Edition, offers students an opportunity to understand and enrich the understanding of physical chemistry with some quantum mechanics, the Boltzmann distribution, and spectroscopy. Posed and answered are questions concerning eve

  1. Web Data Aggregation in MOLAP: Approach, Language, and Implementation

    Institute of Scientific and Technical Information of China (English)

    ZHU Yan; TANG Hui-jia; MA Yong-qiang


    This paper investigates the Web data aggregation issues in multidimensional on-line analytical processing (MOLAP) and presents a rule-driven aggregation approach. The core of the approach is defining aggregate rules. To define the rules for reading warehouse data and computing aggregates, a rule definition language - array aggregation language (AAL) is developed. This language treats an array as a function from indexes to values and provides syntax and semantics based on monads. External functions can be called in aggregation rules to specify array reading, writing, and aggregating. Based on the features of AAL, array operations are unified as function operations, which can be easily expressed and automatically evaluated. To implement the aggregation approach, a processor for computing aggregates over the base cube and for materializing them in the data warehouse is built, and the component structure and working principle of the aggregation processor are introduced.

  2. Cellular strategies for regulating functional and nonfunctional protein aggregation. (United States)

    Gsponer, Jörg; Babu, M Madan


    Growing evidence suggests that aggregation-prone proteins are both harmful and functional for a cell. How do cellular systems balance the detrimental and beneficial effect of protein aggregation? We reveal that aggregation-prone proteins are subject to differential transcriptional, translational, and degradation control compared to nonaggregation-prone proteins, which leads to their decreased synthesis, low abundance, and high turnover. Genetic modulators that enhance the aggregation phenotype are enriched in genes that influence expression homeostasis. Moreover, genes encoding aggregation-prone proteins are more likely to be harmful when overexpressed. The trends are evolutionarily conserved and suggest a strategy whereby cellular mechanisms specifically modulate the availability of aggregation-prone proteins to (1) keep concentrations below the critical ones required for aggregation and (2) shift the equilibrium between the monomeric and oligomeric/aggregate form, as explained by Le Chatelier's principle. This strategy may prevent formation of undesirable aggregates and keep functional assemblies/aggregates under control.

  3. Tetranuclear zinc(II-oxy (benzothiazole-2-thiolate aggregate and copper(I phenylthiolate aggregate

    Directory of Open Access Journals (Sweden)

    Abir Goswami


    Full Text Available A tetranuclear zinc-oxy (benzothiazole-2-thiolate aggregate whose structure has a C3-axis passing through ZnO unit relating three other zinc ions and a tetranuclear copper(I phenylthiolate aggregate having each thiphenolate ligand bridging three copper ions are reported. These aggregates were prepared by hydrothermal reactions of 2,2′-dithiobis-(benzothiazole with zinc nitrate or copper(I iodide, respectively. The reaction of zinc nitrate passed through in situ abstraction of a oxy ligand from moisture to form a Zn4O core holding six 2-benzothiazolethiolate ligands, and during the formation of the aggregate, cleavage of S–S bond of 2,2′-dithiobis-(benzothiazole took place. Whereas, an aggregate formed by self-assembling of copper(I phenylthiolate was formed after extensive degradation of 2,2′-dithiobis-(benzothiazole during solvothermal reaction.

  4. Surface-Enhanced Resonance Raman Scattering and Visible Extinction Spectroscopy of Copper Chlorophyllin: An Upper Level Chemistry Experiment (United States)

    Schnitzer, Cheryl S.; Reim, Candace Lawson; Sirois, John J.; House, Paul G.


    Advanced chemistry students are introduced to surface-enhanced resonance Raman scattering (SERRS) by studying how sodium copper chlorophyllin (CuChl) adsorbs onto silver colloids (CuChl/Ag) as a function of pH. Using both SERRS and visible extinction spectroscopy, the extent of CuChl adsorption and colloidal aggregation are monitored. Initially at…

  5. Coupled effects of solution chemistry and hydrodynamics on the mobility and transport of quantum dot nanomaterials in the Vadose Zone (United States)

    To investigate the coupled effects of solution chemistry and vadose zone processes on the mobility of quantum dot (QD) nanoparticles, laboratory scale transport experiments were performed. The complex coupled effects of ionic strength, size of QD aggregates, surface tension, contact angle, infiltrat...

  6. Monitoring aggregate disintegration with laser diffraction: A tool for studying soils as sediments (United States)

    Mason, Joseph; Kasmerchak, Chase; Liang, Mengyu


    modeling aggregate disintegration required the assumption of at least two aggregate populations. Upper horizons of soils formed under grassland displayed relatively slow disintegration throughout the procedure, with a large proportion of aggregates remaining after three hours. E horizons from forest soils, with low organic matter (OM) and clay content, displayed rapid early distintegration of a large portion of the aggregates, followed by much slower breakdown of the remainder (i.e. the two populations modeled had very different rate constants). OM content is clearly the overriding control on aggregate behavior, but we are also exploring effects of clay content and mineralogy, cation chemistry, and other factors. The differences in aggregate behavior are likely to be relevant to transport and deposition of sediment eroded from these soils, and possibly to the transport of OM or nutrients with eroded soil. We hope to incorporate this method into ongoing field studies of soil erosion with colleagues at UW-Madison.

  7. Mineral Surface Chemistry and Nanoparticle-aggregation Control Membrane Self-Assembly (United States)

    Sahai, Nita; Kaddour, Hussein; Dalai, Punam; Wang, Ziqiu; Bass, Garrett; Gao, Min


    The self-assembly of lipid bilayer membranes to enclose functional biomolecules, thus defining a “protocell,” was a seminal moment in the emergence of life on Earth and likely occurred at the micro-environment of the mineral-water interface. Mineral-lipid interactions are also relevant in biomedical, industrial and technological processes. Yet, no structure-activity relationships (SARs) have been identified to predict lipid self-assembly at mineral surfaces. Here we examined the influence of minerals on the self-assembly and survival of vesicles composed of single chain amphiphiles as model protocell membranes. The apparent critical vesicle concentration (CVC) increased in the presence of positively-charged nanoparticulate minerals at high loadings (mg/mL) suggesting unfavorable membrane self-assembly in such situations. Above the CVC, initial vesicle formation rates were faster in the presence of minerals. Rates were correlated with the mineral’s isoelectric point (IEP) and reactive surface area. The IEP depends on the crystal structure, chemical composition and surface hydration. Thus, membrane self-assembly showed rational dependence on fundamental mineral properties. Once formed, membrane permeability (integrity) was unaffected by minerals. Suggesting that, protocells could have survived on rock surfaces. These SARs may help predict the formation and survival of protocell membranes on early Earth and other rocky planets, and amphiphile-mineral interactions in diverse other phenomena. PMID:28266537

  8. An ROLAP Aggregation Algorithm with the Rules Being Specified (United States)

    Zhengqiu, Weng; Tai, Kuang; Lina, Zhang

    This paper introduces the base theory of data warehouse and ROLAP, and presents a new kind of ROLAP aggregation algorithm, which has calculation algorithms. It covers the shortage of low accuracy of traditional aggregation algorithm that aggregates only by addition. The ROLAP aggregation with calculation algorithm which can aggregate according to business rules improves accuracy. And key designs and procedures are presented. Compared with the traditional method, its efficiency is displayed in an experiment.

  9. The Nation's top 25 construction aggregates producers (United States)

    Willett, Jason Christopher


    U.S. production of construction aggregates in 2011 was 2.17 billion short tons, valued at $17.2 billion, free on board (f.o.b.) at plant. Construction aggregates production decreased by 37 percent, and the associated value decreased by 25 percent, compared with the record highs reported in 2006. In 2011, construction aggregates production increased for the first time since 2006, owing to a very slight increase in the production of both construction sand and gravel and crushed stone. The average unit value, which is the f.o.b. at plant price of a ton of material, increased slightly, but is still less than the average unit value of two years prior.

  10. Aggregate ranking of the world's leading universities

    Directory of Open Access Journals (Sweden)

    Vladimir M. Moskovkin


    Full Text Available The paper presents a methodology for calculating the aggregate global university ranking (Aggregated Global University Ranking, or AGUR, which consists of an automated presentation of the comparable lists of names for different universities from particular global university rankings (using Machine Learning and Mining Data algorithms and a simple procedure of aggregating particular global university rankings (summing up the university ranking positions from different particular rankings and their subsequent ranking. The second procedure makes it possible to bring lists of universities from particular rankings, which are nonidentical by length, to one size. The paper includes a sample AGUR for six particular global university rankings as of 2013, as well as cross-correlation matrices and intersection matrices for AGUR for 2011-2013, all created by means of using the Python-based software.

  11. Wind energy aggregation: A coalitional game approach

    KAUST Repository

    Baeyens, E.


    In this paper we explore the extent to which a group of N wind power producers can exploit the statistical benefits of aggregation and quantity risk sharing by forming a willing coalition to pool their variable power to jointly offer their aggregate power output as single entity into a forward energy market. We prove that wind power generators will always improve their expected profit when they aggregate their generated power and use tools from coalitional game theory to design fair sharing mechanisms to allocate the payoff among the coalition participants. We show that the corresponding coalitional game is super-additive and has a nonempty core. Hence, there always exists a mechanism for profit-sharing that makes the coalition stable. However, the game is not convex and the celebrated Shapley value may not belong to the core of the game. An allocation mechanism that minimizes the worst-case dissatisfaction is proposed. © 2011 IEEE.

  12. Linguistic Weighted Aggregation under Confidence Levels

    Directory of Open Access Journals (Sweden)

    Chonghui Zhang


    Full Text Available We develop some new linguistic aggregation operators based on confidence levels. Firstly, we introduce the confidence linguistic weighted averaging (CLWA operator and the confidence linguistic ordered weighted averaging (CLOWA operator. These two new linguistic aggregation operators are able to consider the confidence level of the aggregated arguments provided by the information providers. We also study some of their properties. Then, based on the generalized means, we introduce the confidence generalized linguistic ordered weighted averaging (CGLOWA operator. The main advantage of the CGLOWA operator is that it includes a wide range of special cases such as the CLOWA operator, the confidence linguistic ordered weighted quadratic averaging (CLOWQA operator, and the confidence linguistic ordered weighted geometric (CLOWG operator. Finally, we develop an application of the new approach in a multicriteria decision-making under linguistic environment and illustrate it with a numerical example.

  13. Multi-Dimensional Aggregation for Temporal Data

    DEFF Research Database (Denmark)

    Böhlen, M. H.; Gamper, J.; Jensen, Christian Søndergaard


    when the data hold. In temporal databases, intervals typically capture the states of reality that the data apply to, or capture when the data are, or were, part of the current database state. This paper proposes a new aggregation operator that addresses several challenges posed by interval data. First......Business Intelligence solutions, encompassing technologies such as multi-dimensional data modeling and aggregate query processing, are being applied increasingly to non-traditional data. This paper extends multi-dimensional aggregation to apply to data with associated interval values that capture......, the intervals to be associated with the result tuples may not be known in advance, but depend on the actual data. Such unknown intervals are accommodated by allowing result groups that are specified only partially. Second, the operator contends with the case where an interval associated with data expresses...

  14. Building energy demand aggregation and simulation tools

    DEFF Research Database (Denmark)

    Gianniou, Panagiota; Heller, Alfred; Rode, Carsten


    to neighbourhoods and cities. Buildings occupy a key place in the development of smart cities as they represent an important potential to integrate smart energy solutions. Building energy consumption affects significantly the performance of the entire energy network. Therefore, a realistic estimation...... of the aggregated building energy use will not only ensure security of supply but also enhance the stabilization of national energy balances. In this study, the aggregation of building energy demand was investigated for a real case in Sønderborg, Denmark. Sixteen single-family houses -mainly built in the 1960s......- were examined, all connected to the regional district heating network. The aggregation of building energy demands was carried out according to typologies, being represented by archetype buildings. These houses were modelled with dynamic energy simulation software and with a simplified simulation tool...

  15. Mechanical Properties of Autoclaved Shell-aggregate

    Institute of Scientific and Technical Information of China (English)

    MA Hailong; CUI Chong; LI Xing; Pierre Chevrier; Vanessa Bouchart; TANG Feng


    Waste solid propylene oxide sludge(POS)and fly ash were used as main raw material to prepare propylene oxide sludge aggregate(POSA)under the condition of autoclaved(180 ℃,1.0 MPa)curing.Three different test methods namely cylinder compressive strength(CCS),individual aggregate compressive strength(IACS)and strength contribution rate(SCR)proposed were used to characterize the mechanical properties of the autoclaved POSA.POS shell-aggregate with SCR of 94% were prepared under the hydrothermal synthesis and autoclaved curing.The experimental results indicate that CCS and IACS have good consistency in characterizing mechanical properties of POSA.It is suggested that SCR not only can characterize the strength of POSA core,but also can reflect the effect of shell on the performance of POSA.By means of least square method,relationships between CCS and IACS,CCS and SCR,IACS and SCR were deduced.

  16. Aggregation of organic matter by pelagic tunicates

    Energy Technology Data Exchange (ETDEWEB)

    Pomeroy, L.R. (Univ. of Georgia, Athens); Deibel, D.


    Three genera of pelagic tunicates were fed concentrates of natural seston and an axenic diatom culture. Fresh and up to 4-day-old feces resemble flocculent organic aggregates containing populations of microorganisms, as described from highly productive parts of the ocean, and older feces resemble the nearly sterile flocculent aggregates which are ubiquitous in surface waters. Fresh feces consist of partially digested phytoplankton and other inclusions in an amorphous gelatinous matrix. After 18 to 36 h, a population of large bacteria develops in the matrix and in some of the remains of phytoplankton contained in the feces. From 48 to 96 h, protozoan populations arise which consume the bacteria and sometimes the remains of the phytoplankton in the feces. Thereafter only a sparse population of microorganisms remains, and the particles begin to fragment. Water samples taken in or below dense populations of salps and doliolids contained greater numbers of flocculent aggregates than did samples from adjacent stations.

  17. Synchronized Data Aggregation for Wireless Sensor Network

    DEFF Research Database (Denmark)

    Dnyaneshwar, Mantri; Prasad, Neeli R.; Prasad, Ramjee


    Wireless Sensor Networks (WSNs) are used for monitoring and data collection purposes. A key challenge in effective data collection is to schedule and synchronize the activities of the nodes with global clock. This paper proposes the Synchronized Data Aggregation Algorithm (SDA) using spanning tree...... mechanism. It provides network-wide time synchronization for sensor network. In the initial stage algorithm established the hierarchical structure in the network and then perform the pair - wise synchronization. SDA aggregate data with a global time scale throughout the network. The aggregated packets...... are scheduled using TDMA as the MAC layer protocol. Simulation results show that, SDA gives promising result of energy efficiency and delay as compared with state-of-the-art solutions....

  18. Inflammation Induces TDP-43 Mislocalization and Aggregation.

    Directory of Open Access Journals (Sweden)

    Ana Sofia Correia

    Full Text Available TAR DNA-binding protein 43 (TDP-43 is a major component in aggregates of ubiquitinated proteins in amyotrophic lateral sclerosis (ALS and frontotemporal lobar degeneration (FTLD. Here we report that lipopolysaccharide (LPS-induced inflammation can promote TDP-43 mislocalization and aggregation. In culture, microglia and astrocytes exhibited TDP-43 mislocalization after exposure to LPS. Likewise, treatment of the motoneuron-like NSC-34 cells with TNF-alpha (TNF-α increased the cytoplasmic levels of TDP-43. In addition, the chronic intraperitoneal injection of LPS at a dose of 1mg/kg in TDP-43(A315T transgenic mice exacerbated the pathological TDP-43 accumulation in the cytoplasm of spinal motor neurons and it enhanced the levels of TDP-43 aggregation. These results suggest that inflammation may contribute to development or exacerbation of TDP-43 proteinopathies in neurodegenerative disorders.

  19. Influence of polysaccharides on wine protein aggregation. (United States)

    Jaeckels, Nadine; Meier, Miriam; Dietrich, Helmut; Will, Frank; Decker, Heinz; Fronk, Petra


    Polysaccharides are the major high-molecular weight components of wines. In contrast, proteins occur only in small amounts in wine, but contribute to haze formation. The detailed mechanism of aggregation of these proteins, especially in combination with other wine components, remains unclear. This study demonstrates the different aggregation behavior between a buffer and a model wine system by dynamic light scattering. Arabinogalactan-protein, for example, shows an increased aggregation in the model wine system, while in the buffer system a reducing effect is observed. Thus, we could show the importance to examine the behavior of wine additives under conditions close to reality, instead of simpler buffer systems. Additional experiments on melting points of wine proteins reveal that only some isoforms of thaumatin-like proteins and chitinases are involved in haze formation. We can confirm interactions between polysaccharides and proteins, but none of these polysaccharides is able to prevent haze in wine.

  20. SUMO modulation of protein aggregation and degradation

    Directory of Open Access Journals (Sweden)

    Marco Feligioni


    Full Text Available Small ubiquitin-like modifier (SUMO conjugation and binding to target proteins regulate a wide variety of cellular pathways. The functional aspects of SUMOylation include changes in protein-protein interactions, intracellular trafficking as well as protein aggregation and degradation. SUMO has also been linked to specialized cellular pathways such as neuronal development and synaptic transmission. In addition, SUMOylation is associated with neurological diseases associated with abnormal protein accumulations. SUMOylation of the amyloid and tau proteins involved in Alzheimer's disease and other tauopathies may contribute to changes in protein solubility and proteolytic processing. Similar events have been reported for α-synuclein aggregates found in Parkinson's disease, polyglutamine disorders such as Huntington's disease as well as protein aggregates found in amyotrophic lateral sclerosis (ALS. This review provides a detailed overview of the impact SUMOylation has on the etiology and pathology of these related neurological diseases.

  1. Chaperone effects on prion and nonprion aggregates. (United States)

    Rikhvanov, Eugene G; Romanova, Nina V; Chernoff, Yury O


    Exposure to high temperature or other stresses induces a synthesis of heat shock proteins. Many of these proteins are molecular chaperones, and some of them help cells to cope with heat-induced denaturation and aggregation of other proteins. In the last decade, chaperones have received increased attention in connection with their role in maintenance and propagation of the Saccharomyces cerevisiae prions, infectious or heritable agents transmitted at the protein level. Recent data suggest that functioning of the chaperones in reactivation of heat-damaged proteins and in propagation of prions is based on the same molecular mechanisms but may lead to different consequences depending on the type of aggregate. In both cases the concerted and balanced action of "chaperones' team," including Hsp104, Hsp70, Hsp40 and possibly other proteins, determines whether a misfolded protein is to be incorporated into an aggregate, rescued to the native state or targeted for degradation.

  2. Aggregation kinetics and structure of cryoimmunoglobulins clusters

    CERN Document Server

    De Spirito, M; Bassi, F A; Di Stasio, E; Giardina, B; Arcovito, G


    Cryoimmunoglobulins are pathological antibodies characterized by a temperature-dependent reversible insolubility. Rheumatoid factors (RF) are immunoglobulins possessing anti-immunoglobulin activity and usually consist of an IgM antibody that recognizes IgG as antigen. These proteins are present in sera of patients affected by a large variety of different pathologies, such as HCV infection, neoplastic and autoimmune diseases. Aggregation and precipitation of cryoimmunoglobulins, leading to vasculiti, are physical phenomena behind such pathologies. A deep knowledge of the physico-chemical mechanisms regulating such phenomena plays a fundamental role in biological and clinical applications. In this work, a preliminary investigation of the aggregation kinetics and of the final macro- molecular structure of the aggregates is presented. Through static light scattering techniques, the gyration radius R/sub g/ and the fractal dimension D/sub m/ of the growing clusters have been determined. However, while the initial ...

  3. Complex Protostellar Chemistry (United States)

    Nuth, Joseph A., III; Johnson, Natasha M.


    Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.

  4. Current ADC Linker Chemistry. (United States)

    Jain, Nareshkumar; Smith, Sean W; Ghone, Sanjeevani; Tomczuk, Bruce


    The list of ADCs in the clinic continues to grow, bolstered by the success of first two marketed ADCs: ADCETRIS® and Kadcyla®. Currently, there are 40 ADCs in various phases of clinical development. However, only 34 of these have published their structures. Of the 34 disclosed structures, 24 of them use a linkage to the thiol of cysteines on the monoclonal antibody. The remaining 10 candidates utilize chemistry to surface lysines of the antibody. Due to the inherent heterogeneity of conjugation to the multiple lysines or cysteines found in mAbs, significant research efforts are now being directed toward the production of discrete, homogeneous ADC products, via site-specific conjugation. These site-specific conjugations may involve genetic engineering of the mAb to introduce discrete, available cysteines or non-natural amino acids with an orthogonally-reactive functional group handle such as an aldehyde, ketone, azido, or alkynyl tag. These site-specific approaches not only increase the homogeneity of ADCs but also enable novel bio-orthogonal chemistries that utilize reactive moieties other than thiol or amine. This broadens the diversity of linkers that can be utilized which will lead to better linker design in future generations of ADCs.

  5. Connecting biology and organic chemistry introductory laboratory courses through a collaborative research project. (United States)

    Boltax, Ariana L; Armanious, Stephanie; Kosinski-Collins, Melissa S; Pontrello, Jason K


    Modern research often requires collaboration of experts in fields, such as math, chemistry, biology, physics, and computer science to develop unique solutions to common problems. Traditional introductory undergraduate laboratory curricula in the sciences often do not emphasize connections possible between the various disciplines. We designed an interdisciplinary, medically relevant, project intended to help students see connections between chemistry and biology. Second term organic chemistry laboratory students designed and synthesized potential polymer inhibitors or inducers of polyglutamine protein aggregation. The use of novel target compounds added the uncertainty of scientific research to the project. Biology laboratory students then tested the novel potential pharmaceuticals in Huntington's disease model assays, using in vitro polyglutamine peptide aggregation and in vivo lethality studies in Drosophila. Students read articles from the primary literature describing the system from both chemical and biological perspectives. Assessment revealed that students emerged from both courses with a deeper understanding of the interdisciplinary nature of biology and chemistry and a heightened interest in basic research. The design of this collaborative project for introductory biology and organic chemistry labs demonstrated how the local interests and expertise at a university can be drawn from to create an effective way to integrate these introductory courses. Rather than simply presenting a series of experiments to be replicated, we hope that our efforts will inspire other scientists to think about how some aspect of authentic work can be brought into their own courses, and we also welcome additional collaborations to extend the scope of the scientific exploration.

  6. A Quantum Chemistry Concept Inventory for Physical Chemistry Classes (United States)

    Dick-Perez, Marilu; Luxford, Cynthia J.; Windus, Theresa L.; Holme, Thomas


    A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student misconceptions and content coverage and then piloted and used in advanced physical chemistry undergraduate courses. In addition to the instrument itself, data from both a pretest,…

  7. Introducing Chemistry Students to the "Real World" of Chemistry (United States)

    Brown, Michael E.; Cosser, Ronald C.; Davies-Coleman, Michael T.; Kaye, Perry T.; Klein, Rosalyn; Lamprecht, Emmanuel; Lobb, Kevin; Nyokong, Tebello; Sewry, Joyce D.; Tshentu, Zenixole R.; van der Zeyde, Tino; Watkins, Gareth M.


    A majority of chemistry graduates seek employment in a rapidly changing chemical industry. Our attempts to provide the graduates with skills in entrepreneurship and the ability to understand and communicate with their chemical engineering colleagues, in addition to their fundamental knowledge of chemistry, are described. This is done at…

  8. Art in Chemistry: Chemistry in Art. Second Edition (United States)

    Greenberg, Barbara R.; Patterson, Dianne


    This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…

  9. Medicinal Chemistry/Pharmacology in Sophomore Organic Chemistry. (United States)

    Harrison, Aline M.


    Discussed is a series of lectures designed to illustrate the use of general organic chemical principles in molecular biology, introduce current research in interdisciplinary areas to the beginner, increase interest in organic chemistry, and bridge the gap between traditional organic chemistry, biology, and the consumer. An outline is presented.…

  10. 200 North Aggregate Area source AAMS report

    Energy Technology Data Exchange (ETDEWEB)


    This report presents the results of an aggregate area management study (AAMS) for the 200 North Aggregate Area in the 200 Areas of the US Department of Energy (DOE) Hanford Site in Washington State. This scoping level study provides the basis for initiating Remedial Investigation/Feasibility Study (RI/FS) activities under the Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA) or Resource Conservation and Recovery Act (RCRA) Facility Investigations (RFI) and Corrective Measures Studies (CMS) under RCRA. This report also integrates select RCRA treatment, storage, or disposal (TSD) closure activities with CERCLA and RCRA past practice investigations.

  11. Protein Aggregation Measurement through Electrical Impedance Spectroscopy (United States)

    Affanni, A.; Corazza, A.; Esposito, G.; Fogolari, F.; Polano, M.


    The paper presents a novel methodology to measure the fibril formation in protein solutions. We designed a bench consisting of a sensor having interdigitated electrodes, a PDMS hermetic reservoir and an impedance meter automatically driven by calculator. The impedance data are interpolated with a lumped elements model and their change over time can provide information on the aggregation process. Encouraging results have been obtained by testing the methodology on K-casein, a protein of milk, with and without the addition of a drug inhibiting the aggregation. The amount of sample needed to perform this measurement is by far lower than the amount needed by fluorescence analysis.

  12. Fault tolerant aggregation for power system services

    DEFF Research Database (Denmark)

    Kosek, Anna Magdalena; Gehrke, Oliver; Kullmann, Daniel


    Exploiting the flexibility in distributed energy resources (DER) is seen as an important contribution to allow high penetrations of renewable generation in electrical power systems. However, the present control infrastructure in power systems is not well suited for the integration of a very large...... number of small units. A common approach is to aggregate a portfolio of such units together and expose them to the power system as a single large virtual unit. In order to realize the vision of a Smart Grid, concepts for flexible, resilient and reliable aggregation infrastructures are required...

  13. Interface-Based Service Composition with Aggregation

    DEFF Research Database (Denmark)

    Dalla Preda, Mila; Gabbrielli, Maurizio; Guidi, Claudio;


    Service-oriented architectures (SOAs) usually comprehend in-the-middle entities such as proxies or service mediators that compose services abstracting from the order in which they exchange messages. Although widely used, these entities are usually implemented by means of ad-hoc solutions....... In this paper we generalise this composition mechanism by identifying the primitive notion of aggregation. We formally define the semantics of aggregation in terms of a process calculus. We also provide a reference implementation for this primitive by extending the Jolie language, thus allowing...

  14. Does it Matter How to Measure Aggregates?

    DEFF Research Database (Denmark)

    Beyer, Andreas; Juselius, Katarina

    . This papers shows, however, that the latter is sensitive to the choice of base year when based on real GDP weights whereas not on nominal GDP weights. A comparison of aggregates calculated with different methods shows that the differences are tiny in absolute value but highly persistent. To investigate...... the impact on the cointegration properties in empirical modelling, the monetary model in Coenen & Vega (2001) based on fixed weights was re-estimated using flexible real and nominal GDP weights. In general, the results remained reasonably robust to the choice of aggregation method...

  15. An Aggregation Approach for Group Multicriteria Assignment

    Directory of Open Access Journals (Sweden)

    George Rigopoulos


    Full Text Available We presented an aggregation approach for group multicriteria assignment decisions, where group members express their preferences on problem parameters in numeric format. Individual preferences are aggregated by WOWA operator following the majority concept and a group parameter set is derived that is used as input for the classification algorithm. In addition, we present a numeric example of the approach, demonstrating its applicability. The methodology has been applied to classification problems in business environment, with sufficient results depicting its validity for such problems.

  16. Relative aggregation operator in database fuzzy querying

    Directory of Open Access Journals (Sweden)

    Luminita DUMITRIU


    Full Text Available Fuzzy selection criteria querying relational databases include vague terms; they usually refer linguistic values form the attribute linguistic domains, defined as fuzzy sets. Generally, when a vague query is processed, the definitions of vague terms must already exist in a knowledge base. But there are also cases when vague terms must be dynamically defined, when a particular operation is used to aggregate simple criteria in a complex selection. The paper presents a new aggregation operator and the corresponding algorithm to evaluate the fuzzy query.

  17. A comparison of thermal zone aggregation methods

    Energy Technology Data Exchange (ETDEWEB)

    Dobbs, Justin R. [Cornell University; Hencey, Brandon M. [Cornell University


    The impact of increasing energy prices on building operation budgets has fueled demand for more energy-efficient structures. Existing building energy simulation tools generate an immense amount of data yet comparatively little knowledge. This paper introduces a framework that allows aggregation-based model reduction to operate on geometric building information models. The resulting aggregation sequence provides designers with faster simulations and affords insight into complex multi-scale thermal interactions. A comparison of the trade-off between simulation speed and accuracy for three hierarchical cluster partitioning methods concludes the discussion.

  18. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry. (United States)

    Tobiszewski, Marek; Marć, Mariusz; Gałuszka, Agnieszka; Namieśnik, Jacek


    The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

  19. From organic chemistry to fat and oil chemistry*

    Directory of Open Access Journals (Sweden)

    Deffense Etienne


    Full Text Available With his work on animal fat and identification of fatty acids, Chevreul was a pioneer in organic chemistry. As Chevreul, I had a passion for organic chemistry too. It was then, an honour and a pleasure to present in 2008 at EFL in Athens this presentation entitled “From organic chemistry to fat and oil chemistry” because my background in organic chemistry helped me all along my professional career to understand and implement new developments related to oil and fat technology and processing. Among the topics which I worked out, I highlighted more particularly the following subjects: the degumming chemistry of oil and fat; the improvement of physical refining; a new chemical analytical tool for the dry fractionation; new development in the dry fractionation

  20. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry

    Directory of Open Access Journals (Sweden)

    Marek Tobiszewski


    Full Text Available The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.

  1. Acarine attractants: Chemoreception, bioassay, chemistry and control. (United States)

    Carr, Ann L; Roe, Michael


    The Acari are of significant economic importance in crop production and human and animal health. Acaricides are essential for the control of these pests, but at the same time, the number of available pesticides is limited, especially for applications in animal production. The Acari consist of two major groups, the mites that demonstrate a wide variety of life strategies, i.e., herbivory, predation and ectoparasitism, and ticks which have evolved obligatory hematophagy. The major sites of chemoreception in the acarines are the chelicerae, palps and tarsi on the forelegs. A unifying name, the "foretarsal sensory organ" (FSO), is proposed for the first time in this review for the sensory site on the forelegs of all acarines. The FSO has multiple sensory functions including olfaction, gustation, and heat detection. Preliminary transcriptomic data in ticks suggest that chemoreception in the FSO is achieved by a different mechanism from insects. There are a variety of laboratory and field bioassay methods that have been developed for the identification and characterization of attractants but minimal techniques for electrophysiology studies. Over the past three to four decades, significant progress has been made in the chemistry and analysis of function for acarine attractants in mites and ticks. In mites, attractants include aggregation, immature female, female sex and alarm pheromones; in ticks, the attraction-aggregation-attachment, assembly and sex pheromones; in mites and ticks host kairomones and plant allomones; and in mites, fungal allomones. There are still large gaps in our knowledge of chemical communication in the acarines compared to insects, especially relative to acarine pheromones, and more so for mites than ticks. However, the use of lure-and-kill and lure-enhanced biocontrol strategies has been investigated for tick and mite control, respectively, with significant environmental advantages which warrant further study.

  2. Significant steps in the evolution of analytical chemistry--is the today's analytical chemistry only chemistry? (United States)

    Karayannis, Miltiades I; Efstathiou, Constantinos E


    In this review the history of chemistry and specifically the history and the significant steps of the evolution of analytical chemistry are presented. In chronological time spans, covering the ancient world, the middle ages, the period of the 19th century, and the three evolutional periods, from the verge of the 19th century to contemporary times, it is given information for the progress of chemistry and analytical chemistry. During this period, analytical chemistry moved gradually from its pure empirical nature to more rational scientific activities, transforming itself to an autonomous branch of chemistry and a separate discipline. It is also shown that analytical chemistry moved gradually from the status of exclusive serving the chemical science, towards serving, the environment, health, law, almost all areas of science and technology, and the overall society. Some recommendations are also directed to analytical chemistry educators concerning the indispensable nature of knowledge of classical analytical chemistry and the associated laboratory exercises and to analysts, in general, why it is important to use the chemical knowledge to make measurements on problems of everyday life.

  3. Services for Emodnet-Chemistry Data Products (United States)

    Santinelli, Giorgio; Hendriksen, Gerrit; Barth, Alexander


    In the framework of Emodnet Chemistry lot, data products from regional leaders were made available in order to transform information into a database. This has been done by using functions and scripts, reading so-called enriched ODV files and inserting data directly into a cloud relational geodatabase. The main table is the one of observations which contains the main data and meta-data associated with the enriched ODV files. A particular implementation in data loading is used in order to improve on-the-fly computational speed. Data from Baltic Sea, North Sea, Mediterrean, Black Sea and part of the Atlantic region has been entered into the geodatabase, and consequently being instantly available from the OceanBrowser Emodnet portal. Furthermore, Deltares has developed an application that provides additional visualisation services for the aggregated and validated data collections. The visualisations are produced by making use of part of the OpenEarthTool stack (, by the integration of Web Feature Services and by the implementation of Web Processing Services. The goal is the generation of server-side plots of timeseries, profiles, timeprofiles and maps of selected parameters from data sets of selected stations. Regional data collections are retrieved using Emodnet Chemistry cloud relational geo-database. The spatial resolution in time and the intensity of data availability for selected parameters is shown using Web Service requests via the OceanBrowser Emodnet Web portal. OceanBrowser also shows station reference codes, which are used to establish a link for additional metadata, further data shopping and download.

  4. Contextualising Nanotechnology in Chemistry Education (United States)

    O'Connor, Christine; Hayden, Hugh


    In recent years nanotechnology has become part of the content of many undergraduate chemistry and physics degree courses. This paper deals with the role of contextualisation of nanotechnology in the delivery of the content, as nanotechnology is only now being slowly integrated into many chemistry degree courses in Ireland and elsewhere. An…

  5. Rethinking Undergraduate Physical Chemistry Curricula (United States)

    Miller, Stephen R.


    A summary of fundamental changes made to the undergraduate physical chemistry curriculum in the Chemistry Department at Gustavus Adolphus College (beginning in the 2013-2014 academic year) is presented. The yearlong sequence now consists of an introductory semester covering both quantum mechanics and thermodynamics/kinetics, followed by a second…

  6. Chemistry Teachers' Views of Creativity (United States)

    Akkanat, Çigdem; Gökdere, Murat


    The purpose of this study was to determine chemistry teachers' views of creativity. In this study, phenomenology method, one of the qualitative research patterns, was used. The participants of this study were 13 chemistry teachers working in Amasya. A semi-structured interview form was used for data collection. By using NVivo 9 qualitative…

  7. Remedial Mathematics for Quantum Chemistry (United States)

    Koopman, Lodewijk; Brouwer, Natasa; Heck, Andre; Buma, Wybren Jan


    Proper mathematical skills are important for every science course and mathematics-intensive chemistry courses rely on a sound mathematical pre-knowledge. In the first-year quantum chemistry course at this university, it was noticed that many students lack basic mathematical knowledge. To tackle the mathematics problem, a remedial mathematics…

  8. Introducing Relativity into Quantum Chemistry (United States)

    Li, Wai-Kee; Blinder, S. M.


    It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…

  9. [Photonic crystals for analytical chemistry]. (United States)

    Chen, Yi; Li, Jincheng


    Photonic crystals, originally created to control the transmission of light, have found their increasing value in the field of analytical chemistry and are probable to become a hot research area soon. This review is hence composed, focusing on their analytical chemistry-oriented applications, including especially their use in chromatography, capillary- and chip-based electrophoresis.

  10. News from Online: Green Chemistry (United States)

    Uffelman, Erich S.


    Green chemistry closely relates to energy and environmental problems, and includes the promotion of environmental friendly products and systems within the framework of renewable resources. Various websites on green chemistry are reviewed, one of which lists the 12 commandments of this particular subject.

  11. Crocodile Chemistry. [CD-ROM]. (United States)


    This high school chemistry resource is an on-screen chemistry lab. In the program, students can experiment with a huge range of chemicals, choosing the form, quantity and concentrations. Dangerous or difficult experiments can be investigated safely and easily. A vast range of equipment can be set up, and complex simulations can be put together and…

  12. Organic Chemistry Software from COMPress. (United States)

    Ball, Sister Isabel


    Reviews three organic chemistry computer programs for TRS-80 and Apple microcomputers. Programs include "Introduction to Organic Chemistry,""Qualitative Organic Analysis," and a game called "Chemrain." Indicates that all three produce a readable screen, require exact responses, use graphics in an appealingly and…

  13. Fundamentals of Aqueous Microwave Chemistry (United States)

    The first chemical revolution changed modern life with a host of excellent amenities and services, but created serious problems related to environmental pollution. After 150 years of current chemistry principles and practices, we need a radical change to a new type of chemistry k...

  14. Complex Autocatalysis in Simple Chemistries. (United States)

    Virgo, Nathaniel; Ikegami, Takashi; McGregor, Simon


    Life on Earth must originally have arisen from abiotic chemistry. Since the details of this chemistry are unknown, we wish to understand, in general, which types of chemistry can lead to complex, lifelike behavior. Here we show that even very simple chemistries in the thermodynamically reversible regime can self-organize to form complex autocatalytic cycles, with the catalytic effects emerging from the network structure. We demonstrate this with a very simple but thermodynamically reasonable artificial chemistry model. By suppressing the direct reaction from reactants to products, we obtain the simplest kind of autocatalytic cycle, resulting in exponential growth. When these simple first-order cycles are prevented from forming, the system achieves superexponential growth through more complex, higher-order autocatalytic cycles. This leads to nonlinear phenomena such as oscillations and bistability, the latter of which is of particular interest regarding the origins of life.

  15. Prebiotic phosphorus chemistry reconsidered (United States)

    Schwartz, A. W.; Orgel, L. E. (Principal Investigator)


    The available evidence indicates that the origin of life on Earth certainly occurred earlier than 3.5 billion years ago and perhaps substantially earlier. The time available for the chemical evolution which must have preceded this event is more difficult to estimate. Both endogenic and exogenic contributions to chemical evolution have been considered; i.e., from chemical reactions in a primitive atmosphere, or by introduction in the interiors of comets and/or meteorites. It is argued, however, that the phosphorus chemistry of Earth's earliest hydrosphere, whether primarily exogenic or endogenic in origin, was most likely dominated by compounds less oxidized than phosphoric acid and its esters. A scenario is presented for the early production of a suite of reactive phosphonic acid derivatives, the properties of which may have foreshadowed the later appearance of biophosphates.

  16. Prebiotic chemistry in clouds (United States)

    Oberbeck, Verne R.; Marshall, John; Shen, Thomas


    The chemical evolution hypothesis of Woese (1979), according to which prebiotic reactions occurred rapidly in droplets in giant atmospheric reflux columns was criticized by Scherer (1985). This paper proposes a mechanism for prebiotic chemistry in clouds that answers Scherer's concerns and supports Woese's hypothesis. According to this mechanism, rapid prebiotic chemical evolution was facilitated on the primordial earth by cycles of condensation and evaporation of cloud drops containing clay condensation nuclei and nonvolatile monomers. For example, amino acids supplied by, or synthesized during entry of meteorites, comets, and interplanetary dust, would have been scavenged by cloud drops containing clay condensation nuclei and would be polymerized within cloud systems during cycles of condensation, freezing, melting, and evaporation of cloud drops.

  17. Advances in analytical chemistry (United States)

    Arendale, W. F.; Congo, Richard T.; Nielsen, Bruce J.


    Implementation of computer programs based on multivariate statistical algorithms makes possible obtaining reliable information from long data vectors that contain large amounts of extraneous information, for example, noise and/or analytes that we do not wish to control. Three examples are described. Each of these applications requires the use of techniques characteristic of modern analytical chemistry. The first example, using a quantitative or analytical model, describes the determination of the acid dissociation constant for 2,2'-pyridyl thiophene using archived data. The second example describes an investigation to determine the active biocidal species of iodine in aqueous solutions. The third example is taken from a research program directed toward advanced fiber-optic chemical sensors. The second and third examples require heuristic or empirical models.

  18. Beryllium chemistry and processing

    CERN Document Server

    Walsh, Kenneth A


    This book introduces beryllium; its history, its chemical, mechanical, and physical properties including nuclear properties. The 29 chapters include the mineralogy of beryllium and the preferred global sources of ore bodies. The identification and specifics of the industrial metallurgical processes used to form oxide from the ore and then metal from the oxide are thoroughly described. The special features of beryllium chemistry are introduced, including analytical chemical practices. Beryllium compounds of industrial interest are identified and discussed. Alloying, casting, powder processing, forming, metal removal, joining and other manufacturing processes are covered. The effect of composition and process on the mechanical and physical properties of beryllium alloys assists the reader in material selection. The physical metallurgy chapter brings conformity between chemical and physical metallurgical processing of beryllium, metal, alloys, and compounds. The environmental degradation of beryllium and its all...

  19. Getting Hooked on Chemistry (United States)

    Mason, Diana S.


    Other fun things in this issue include three Quote Boxes by Olney (3) that will allow your students to engage in deductive reasoning to solve the puzzles. Kelkar (4) presents a slightly more difficult but very clever mystery element game; it provides clues to element symbols that all fit into a single matrix. Ibanez's game (5) lists popular sayings or proverbs and the student's job is to match each with an analogous chemical phenomenon. As always, answers are provided. For the more sophisticated among us, there is Who Wants to Be a Chemist Extraordinaire? devised by Campbell and Muzyka (6), who describe their use of online chemistry game shows patterned on popular TV programs. Examples of the HTML files with sample questions are available through JCE Online. These are just some of the many suggestions that can be found in this issue of JCE. Try a few, you might like them!

  20. Organic chemistry on Titan (United States)

    Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.


    Features taken from various models of Titan's atmosphere are combined in a working composite model that provides environmental constraints within which different pathways for organic chemical synthesis are determined. Experimental results and theoretical modeling suggest that the organic chemistry of the satellite is dominated by two processes: photochemistry and energetic particle bombardment. Photochemical reactions of CH4 in the upper atmosphere can account for the presence of C2 hydrocarbons. Reactions initiated at various levels of the atmosphere by cosmic rays, Saturn 'wind', and solar wind particle bombardment of a CH4-N2 atmospheric mixture can account for the UV-visible absorbing stratospheric haze, the reddish appearance of the satellite, and some of the C2 hydrocarbons. In the lower atmosphere photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. It is concluded that the surface of Titan may contain ancient or recent organic matter (or both) produced in the atmosphere.

  1. Chemistry of Aviation Fuels (United States)

    Knepper, Bryan; Hwang, Soon Muk; DeWitt, Kenneth J.


    Minimum ignition energies of various methanol/air mixtures were measured in a temperature controlled constant volume combustion vessel using a spark ignition method with a spark gap distance of 2 mm. The minimum ignition energies decrease rapidly as the mixture composition (equivalence ratio, Phi) changes from lean to stoichiometric, reach a minimum value, and then increase rather slowly with Phi. The minimum of the minimum ignition energy (MIE) and the corresponding mixture composition were determined to be 0.137 mJ and Phi = 1.16, a slightly rich mixture. The variation of minimum ignition energy with respect to the mixture composition is explained in terms of changes in reaction chemistry.

  2. Rapid automated nuclear chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, R.A.


    Rapid Automated Nuclear Chemistry (RANC) can be thought of as the Z-separation of Neutron-rich Isotopes by Automated Methods. The range of RANC studies of fission and its products is large. In a sense, the studies can be categorized into various energy ranges from the highest where the fission process and particle emission are considered, to low energies where nuclear dynamics are being explored. This paper presents a table which gives examples of current research using RANC on fission and fission products. The remainder of this text is divided into three parts. The first contains a discussion of the chemical methods available for the fission product elements, the second describes the major techniques, and in the last section, examples of recent results are discussed as illustrations of the use of RANC.

  3. Pollution prevention through chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Breen, J.J.; Anastas, P.T.; Hassur, S.M.; Tobin, P.S. [Environmental Protection Agency, Washington, DC (United States). Office of Pollution Prevention and Toxics


    Prosperity without pollution, and the consideration of how to achieve this economic and environmental imperative, has become the fundamental environmental theme of the 1990s. The new strategy--pollution prevention--will serve s the keystone of federal, state, and local environmental policy. The challenge is to switch from two decades of environmental policy based on pollution controls and government-mandated regulations to a future environmental policy based on pollution prevention, source reduction, recycling, and waste minimization. To make this change will require a new social compact among environmental, industrial, and regulatory interests. This chapter focuses on the role of chemistry and the contributions of synthetic and process analytical chemists. It also describes the implementation of pollution prevention concepts into the premanufacturing notice review process mandated by Section 5 of the Toxic Substances Control Act (TSCA) and discusses the implications of pollution prevention for chemical safety. 55 refs.

  4. Quality guaranteed aggregation based model predictive control and stability analysis

    Institute of Scientific and Technical Information of China (English)

    LI DeWei; XI YuGeng


    The input aggregation strategy can reduce the online computational burden of the model predictive controller. But generally aggregation based MPC controller may lead to poor control quality. Therefore, a new concept, equivalent aggregation, is proposed to guarantee the control quality of aggregation based MPC. From the general framework of input linear aggregation, the design methods of equivalent aggregation are developed for unconstrained and terminal zero constrained MPC, which guarantee the actual control inputs exactly to be equal to that of the original MPC. For constrained MPC, quasi-equivalent aggregation strategies are also discussed, aiming to make the difference between the control inputs of aggregation based MPC and original MPC as small as possible. The stability conditions are given for the quasi-equivalent aggregation based MPC as well.

  5. Carrier Aggregation for LTE-Advanced

    DEFF Research Database (Denmark)

    Pedersen, Klaus Ingemann; Frederiksen, Frank; Rosa, Claudio


    Carrier aggregation (CA) is one of the key features for LTE-Advanced. By means of CA, users gain access to a total bandwidth of up to 100 MHz in order to meet the IMT-Advanced requirements. The system bandwidth may be contiguous, or composed of several non-contiguous bandwidth chunks, which are a...

  6. Aggregation of MBP in chronic demyelination (United States)

    Frid, Kati; Einstein, Ofira; Friedman-Levi, Yael; Binyamin, Orli; Ben-Hur, Tamir; Gabizon, Ruth


    Objectives Misfolding of key disease proteins to an insoluble state is associated with most neurodegenerative conditions, such as prion, Parkinson, and Alzheimer’s diseases. In this work, and by studying animal models of multiple sclerosis, we asked whether this is also the case for myelin basic protein (MBP) in the late and neurodegenerative phases of demyelinating diseases. Methods To this effect, we tested whether MBP, an essential myelin component, present prion-like properties in animal models of MS, as is the case for Cuprizone-induced chronic demyelination or chronic phases of Experimental Autoimmune Encephalomyelitis (EAE). Results We show here that while total levels of MBP were not reduced following extensive demyelination, part of these molecules accumulated thereafter as aggregates inside oligodendrocytes or around neuronal cells. In chronic EAE, MBP precipitated concomitantly with Tau, a marker of diverse neurodegenerative conditions, including MS. Most important, analysis of fractions from Triton X-100 floatation gradients suggest that the lipid composition of brain membranes in chronic EAE differs significantly from that of naïve mice, an effect which may relate to oxidative insults and subsequently prevent the appropriate insertion and compaction of new MBP in the myelin sheath, thereby causing its misfolding and aggregation. Interpretation Prion-like aggregation of MBP following chronic demyelination may result from an aberrant lipid composition accompanying this pathological status. Such aggregation of MBP may contribute to neuronal damage that occurs in the progressive phase of MS. PMID:26273684



    Levedahl, J. William; Reed, Albert J.; Clark, J. Stephen


    Two aggregation schemes for food demand systems are tested for consistency with the Generalized Composite Commodity Theorem (GCCT). One scheme is based on the standard CES classification of food expenditures. The second scheme is based on the Food Guide Pyramid. Evidence is found that both schemes are consistent with the GCCT.

  8. Metaconcrete: designed aggregates to enhance dynamic performance (United States)

    Mitchell, Stephanie J.; Pandolfi, Anna; Ortiz, Michael


    We propose a new type of concrete for the attenuation of elastic waves induced by dynamic excitation. In this metamaterial, which we call metaconcrete, the stone, sand, and gravel aggregates of standard concrete are replaced with spherical inclusions consisting of a heavy metal core coated with a soft outer layer. These engineered aggregates can be tuned so that particular frequencies of a propagating blast wave will activate resonant oscillations of the heavy mass within the inclusions. The resonant behavior causes the system to exhibit negative effective mass, and this interaction between the wave motion and the resonant aggregates results in the attenuation of the applied dynamic loading. We introduce the concept of negative mass by deriving the effective momentum mass for the system and we define the geometrical and material parameters for the design of resonant aggregates. We develop finite element models for the analysis of metaconcrete behavior, defining a section of slab containing a periodic arrangement of inclusions. By computing the energy histories for the system when subject to a blast load, we show that there is a transfer of energy between the inclusions and the surrounding mortar. The inclusions are able to absorb a significant portion of the applied energy, resulting in a reduction in the amount of stress carried by the mortar phase and greatly improving the ability of the material to resist damage under explosive dynamic loading.

  9. Familial aggregation of hypospadias: a cohort study

    DEFF Research Database (Denmark)

    Schnack, Tine H; Zdravkovic, Slobodan; Myrup, Charlotte


    Hypospadias is one of the most common birth defects. However, its etiology remains largely unknown. The authors investigated the contribution of genetic and environmental factors to familial aggregation of hypospadias. Using Danish health registers, they identified 5,380 boys diagnosed...

  10. Assays for alpha-synuclein aggregation

    DEFF Research Database (Denmark)

    Giehm, Lise; Lorenzen, Nikolai; Otzen, Daniel


    leading to their formation is important for designing new drugs as well as in development of new nano-biomaterials such as nano-tubes, wires, scaffolds etc. 6. Understanding the process of amyloid formation requires an ability to reproduce this aggregation under controlled circumstances, in other words...

  11. The route to protein aggregate superstructures

    DEFF Research Database (Denmark)

    Vetri, Valeria; Foderà, Vito


    Depending on external conditions, native proteins may change their structure and undergo different association routes leading to a large scale polymorphism of the aggregates. This feature has been widely observed but is not fully understood yet. This review focuses on morphologies, physico-chemical...


    DEFF Research Database (Denmark)


    Dendrimer conjugates are presented, which are formed between a dendrimer and a protein solubilising substance. Such dendrimer conjugates are effective in the treatment of protein aggregate-related diseases (e.g. prion-related diseases). The protein solubilising substance and the dendrimer together...

  13. Ring aggregation pattern of Human Travel Trips

    CERN Document Server

    Wang, Zi-Yang; Zhu, Peng; Qin, Yong; Jia, Li-Min


    Although a lot of attentions have been paid to human mobility, the relationship between travel pattern with city structure is still unclear. Here we probe into this relationship by analyzing the metro passenger trip data.There are two unprecedented findings. One, from the average view a linear law exists between the individual's travel distance with his original distance to city center. The mechanism underlying is a travel pattern we called "ring aggregation", i.e., the daily movement of city passengers is just aggregating to a ring with roughly equal distance to city center.Interestingly, for the round trips the daily travel pattern can be regarded as a switching between the home ring at outer area with the office ring at the inner area. Second, this linear law and ring aggregation pattern seems to be an exclusive characteristic of the metro system. It can not be found in short distance transportation modes, such as bicycle and taxi, neither as multiple transportation modes. This means the ring aggregation p...

  14. Surfactant effects on soil aggregate tensile strength (United States)

    Little is known regarding a soil aggregate's tensile strength response to surfactants that may be applied to alleviate soil water repellency. Two laboratory investigations were performed to determine surfactant effects on the tensile strength of 1) Ap horizons of nine wettable, agricultural soils co...

  15. Quasi-Species and Aggregate Dynamics

    DEFF Research Database (Denmark)

    Eriksson, Anders; Görnerup, Olof; Jacobi, Martin Nilsson


    At an early stage in pre-biotic evolution, groups of replicating molecules must coordinate their reproduction to form aggregated units of selection. Mechanisms that enable this to occur are currently not well understood. In this paper we introduce a deterministic model of primitive replicating ag...


    Extensive research has shown that microorganisms exhibit increased resistance due to clumping, aggregation, particle association, or modification of antecedent growth conditions. During the course of investigating a major water-borne Vibrio cholerae outbreak in Peru, U.S. EPA inv...

  17. Individual expectations and aggregate macro behavior

    NARCIS (Netherlands)

    Assenza, T.; Heemeijer, P.; Hommes, C.; Massaro, D.


    The way in which individual expectations shape aggregate macroeconomic variables is crucial for the transmission and effectiveness of monetary policy. We study the individual expectations formation process and the interaction with monetary policy, within a standard New Keynesian model, by means of l

  18. Individual expectations and aggregate macro behavior

    NARCIS (Netherlands)

    Assenza, T.; Heemeijer, P.; Hommes, C.; Massaro, D.


    The way in which individual expectations shape aggregate macroeconomic variables is crucial for the transmission and effectiveness of monetary policy. We study the individual expectations formation process and the interaction with monetary policy, within a standard New Keynesian model, by means of l

  19. Kinetics of fibrilar aggregation of food proteins

    NARCIS (Netherlands)

    Arnaudov, L.N.


    In this thesis we study the kinetics of fibrilar aggregation of two model proteins widely used in the food industry -b-lactoglobulin (b-lg) and hen eg

  20. Face detection by aggregated Bayesian network classifiers

    NARCIS (Netherlands)

    Pham, T.V.; Worring, M.; Smeulders, A.W.M.


    A face detection system is presented. A new classification method using forest-structured Bayesian networks is used. The method is used in an aggregated classifier to discriminate face from non-face patterns. The process of generating non-face patterns is integrated with the construction of the aggr

  1. Nonlinear Evolution of Aggregates with Inextensible Constraints

    Institute of Scientific and Technical Information of China (English)

    Ming-XiangCHEN; WeiYANG; 等


    Crystalline and semicrystalline polymers are formed as aggregates of grains with evolving inextensible axes.This inextensible constratint leads to texture evolution under large plastic deformation.This paper reveals the nonlinear texture evolution of crystalline polymers under axi-symmetric straining.

  2. Utilitarian Aggregation of Beliefs and Tastes. (United States)

    Gilboa, Itzhak; Samet, Dov; Schmeidler, David


    Harsanyi's utilitarianism is extended here to Savage's framework. We formulate a Pareto condition that implies that both society's utility function and its probability measure are linear combinations of those of the individuals. An indiscriminate Pareto condition has been shown to contradict linear aggregation of beliefs and tastes. We argue that…

  3. Aggregation of log-linear risks

    DEFF Research Database (Denmark)

    Embrechts, Paul; Hashorva, Enkeleijd; Mikosch, Thomas Valentin


    In this paper we work in the framework of a k-dimensional vector of log-linear risks. Under weak conditions on the marginal tails and the dependence structure of a vector of positive risks, we derive the asymptotic tail behaviour of the aggregated risk {and present} an application concerning log...

  4. A discrete anisotropic model for Scheibe aggregates

    Directory of Open Access Journals (Sweden)

    O. Bang


    Full Text Available A discrete anisotropic nonlinear model for the dynamics of Scheibe aggregates is investigated. The collapse of the collective excitations found by Möbius and Kuhn is described as a shrinking ring wave, which is eventually absorbed by an acceptor molecule. An optimal acceptor loss is found.

  5. Does it Matter How to Measure Aggregates?

    DEFF Research Database (Denmark)

    Beyer, Andreas; Juselius, Katarina

    Beyer, Doornik and Hendry (2000, 2001) show analytically that three out of four aggregation methods yield problematic results when exchange rate shifts induce relative-price changes between individual countries and found the least problematic method to be the variable weight method of growth rates...

  6. Aggregate Unemployment Decreases Individual Returns to Education (United States)

    Ammermueller, Andreas; Kuckulenz, Anja; Zwick, Thomas


    Aggregate unemployment may affect individual returns to education through qualification-specific responses in participation and wage bargaining. This paper shows that an increase in regional unemployment by 1% decreases returns to education by 0.005 percentage points. This implies that higher skilled employees are better sheltered from labour…

  7. Thermodynamics of Micellization of Surfactants of Low Aggregation Number: The Aggregation of Propranolol Hydrochloride. (United States)

    Mosquera; Ruso; Attwood; Jones; Prieto; Sarmiento


    The self-association of propranolol hydrochloride in aqueous solution has been studied as a function of temperature. The critical concentration (C*) and the degree of ionization (alpha) were determined by conductivity measurements at temperatures over the range 298.15 to 313.15 K. The enthalpy change on aggregation in water was measured by microcalorimetry. To calculate changes in the thermodynamic properties of aggregation the mass action model for high and low aggregation numbers was applied, the latter model giving better agreement between experimental and theoretical enthalpy changes. Copyright 1999 Academic Press.

  8. Nanoplasmonics tuned ``click chemistry'' (United States)

    Tijunelyte, I.; Guenin, E.; Lidgi-Guigui, N.; Colas, F.; Ibrahim, J.; Toury, T.; Lamy de La Chapelle, M.


    Nanoplasmonics is a growing field of optical condensed matter science dedicated to optical phenomena at the nanoscale level in metal systems. Extensive research on noble metallic nanoparticles (NPs) has emerged within the last two decades due to their ability to keep the optical energy concentrated in the vicinity of NPs, in particular, the ability to create optical near-field enhancement followed by heat generation. We have exploited these properties in order to induce a localised ``click'' reaction in the vicinity of gold nanostructures under unfavourable experimental conditions. We demonstrate that this reaction can be controlled by the plasmonic properties of the nanostructures and we propose two physical mechanisms to interpret the observed plasmonic tuning of the ``click'' chemistry.Nanoplasmonics is a growing field of optical condensed matter science dedicated to optical phenomena at the nanoscale level in metal systems. Extensive research on noble metallic nanoparticles (NPs) has emerged within the last two decades due to their ability to keep the optical energy concentrated in the vicinity of NPs, in particular, the ability to create optical near-field enhancement followed by heat generation. We have exploited these properties in order to induce a localised ``click'' reaction in the vicinity of gold nanostructures under unfavourable experimental conditions. We demonstrate that this reaction can be controlled by the plasmonic properties of the nanostructures and we propose two physical mechanisms to interpret the observed plasmonic tuning of the ``click'' chemistry. Electronic supplementary information (ESI) available: NMR study on reaction initiation, SERS spectra and temperature calculations. See DOI: 10.1039/c5nr09018k

  9. Copper-triggered aggregation of ubiquitin. (United States)

    Arnesano, Fabio; Scintilla, Simone; Calò, Vincenza; Bonfrate, Elena; Ingrosso, Chiara; Losacco, Maurizio; Pellegrino, Teresa; Rizzarelli, Enrico; Natile, Giovanni


    Neurodegenerative disorders share common features comprising aggregation of misfolded proteins, failure of the ubiquitin-proteasome system, and increased levels of metal ions in the brain. Protein aggregates within affected cells often contain ubiquitin, however no report has focused on the aggregation propensity of this protein. Recently it was shown that copper, differently from zinc, nickel, aluminum, or cadmium, compromises ubiquitin stability and binds to the N-terminus with 0.1 micromolar affinity. This paper addresses the role of copper upon ubiquitin aggregation. In water, incubation with Cu(II) leads to formation of spherical particles that can progress from dimers to larger conglomerates. These spherical oligomers are SDS-resistant and are destroyed upon Cu(II) chelation or reduction to Cu(I). In water/trifluoroethanol (80:20, v/v), a mimic of the local decrease in dielectric constant experienced in proximity to a membrane surface, ubiquitin incubation with Cu(II) causes time-dependent changes in circular dichroism and Fourier-transform infrared spectra, indicative of increasing beta-sheet content. Analysis by atomic force and transmission electron microscopy reveals, in the given order, formation of spherical particles consistent with the size of early oligomers detected by gel electrophoresis, clustering of these particles in straight and curved chains, formation of ring structures, growth of trigonal branches from the rings, coalescence of the trigonal branched structures in a network. Notably, none of these ubiquitin aggregates was positive to tests for amyloid and Cu(II) chelation or reduction produced aggregate disassembly. The early formed Cu(II)-stabilized spherical oligomers, when reconstituted in 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) liposomes and in POPC planar bilayers, form annular and pore-like structures, respectively, which are common to several neurodegenerative disorders including Parkinson's, Alzheimer's, amyotrophic

  10. Copper-triggered aggregation of ubiquitin.

    Directory of Open Access Journals (Sweden)

    Fabio Arnesano

    Full Text Available Neurodegenerative disorders share common features comprising aggregation of misfolded proteins, failure of the ubiquitin-proteasome system, and increased levels of metal ions in the brain. Protein aggregates within affected cells often contain ubiquitin, however no report has focused on the aggregation propensity of this protein. Recently it was shown that copper, differently from zinc, nickel, aluminum, or cadmium, compromises ubiquitin stability and binds to the N-terminus with 0.1 micromolar affinity. This paper addresses the role of copper upon ubiquitin aggregation. In water, incubation with Cu(II leads to formation of spherical particles that can progress from dimers to larger conglomerates. These spherical oligomers are SDS-resistant and are destroyed upon Cu(II chelation or reduction to Cu(I. In water/trifluoroethanol (80:20, v/v, a mimic of the local decrease in dielectric constant experienced in proximity to a membrane surface, ubiquitin incubation with Cu(II causes time-dependent changes in circular dichroism and Fourier-transform infrared spectra, indicative of increasing beta-sheet content. Analysis by atomic force and transmission electron microscopy reveals, in the given order, formation of spherical particles consistent with the size of early oligomers detected by gel electrophoresis, clustering of these particles in straight and curved chains, formation of ring structures, growth of trigonal branches from the rings, coalescence of the trigonal branched structures in a network. Notably, none of these ubiquitin aggregates was positive to tests for amyloid and Cu(II chelation or reduction produced aggregate disassembly. The early formed Cu(II-stabilized spherical oligomers, when reconstituted in 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC liposomes and in POPC planar bilayers, form annular and pore-like structures, respectively, which are common to several neurodegenerative disorders including Parkinson's, Alzheimer

  11. Chemistry for whom? Gender awareness in teaching and learning chemistry (United States)

    Andersson, Kristina


    Marie Ståhl and Anita Hussénius have defined what discourses dominate national tests in chemistry for Grade 9 in Sweden by using feminist, critical didactic perspectives. This response seeks to expand the results in Ståhl and Hussénius's article Chemistry inside an epistemological community box!—Discursive exclusions and inclusions in the Swedish national tests in chemistry, by using different facets of gender awareness. The first facet—Gender awareness in relations to the test designers' own conceptions—highlighted how the gender order where women are subordinated men becomes visible in the national tests as a consequence of the test designers internalized conceptions. The second facet—Gender awareness in relation to chemistry—discussed the hierarchy between discourses within chemistry. The third facet—Gender awareness in relation to students—problematized chemistry in relation to the students' identity formation. In summary, I suggest that the different discourses can open up new ways to interpret chemistry and perhaps dismantle the hegemonic chemistry discourse.

  12. Practical problems in aggregating expert opinions

    Energy Technology Data Exchange (ETDEWEB)

    Booker, J.M.; Picard, R.R.; Meyer, M.A.


    Expert opinion is data given by a qualified person in response to a technical question. In these analyses, expert opinion provides information where other data are either sparse or non-existent. Improvements in forecasting result from the advantageous addition of expert opinion to observed data in many areas, such as meteorology and econometrics. More generally, analyses of large, complex systems often involve experts on various components of the system supplying input to a decision process; applications include such wide-ranging areas as nuclear reactor safety, management science, and seismology. For large or complex applications, no single expert may be knowledgeable enough about the entire application. In other problems, decision makers may find it comforting that a consensus or aggregation of opinions is usually better than a single opinion. Many risk and reliability studies require a single estimate for modeling, analysis, reporting, and decision making purposes. For problems with large uncertainties, the strategy of combining as diverse a set of experts as possible hedges against underestimation of that uncertainty. Decision makers are frequently faced with the task of selecting the experts and combining their opinions. However, the aggregation is often the responsibility of an analyst. Whether the decision maker or the analyst does the aggregation, the input for it, such as providing weights for experts or estimating other parameters, is imperfect owing to a lack of omniscience. Aggregation methods for expert opinions have existed for over thirty years; yet many of the difficulties with their use remain unresolved. The bulk of these problem areas are summarized in the sections that follow: sensitivities of results to assumptions, weights for experts, correlation of experts, and handling uncertainties. The purpose of this paper is to discuss the sources of these problems and describe their effects on aggregation.

  13. Small file aggregation in a parallel computing system (United States)

    Faibish, Sorin; Bent, John M.; Tzelnic, Percy; Grider, Gary; Zhang, Jingwang


    Techniques are provided for small file aggregation in a parallel computing system. An exemplary method for storing a plurality of files generated by a plurality of processes in a parallel computing system comprises aggregating the plurality of files into a single aggregated file; and generating metadata for the single aggregated file. The metadata comprises an offset and a length of each of the plurality of files in the single aggregated file. The metadata can be used to unpack one or more of the files from the single aggregated file.

  14. Synthesis of supramolecular iron (III) complexes by cluster aggregation (United States)

    Seddon, Elisa Joy


    Biologically, iron is a ubiquitous and versatile metal, found in the active sites of proteins responsible for both oxygen and electron transport. Multinuclear iron-oxo proteins are either dinuclear, or contain many iron atoms; the [Fe2O] unit occurs in hemerythrin (Hr), ribonucleotide reductase, purple acid phosphatase (POP) and methane monooxygenase (MMO), whereas ferritin (Ft) can store up to 4500 iron atoms. Iron storage and transport are essential for protecting biological organisms from free iron, since free Fe(II) ions, will react with dioxygen to form destructive organic radicals, and free Fe(III) ions form insoluble iron hydroxide aggregates under physiological conditions. The tendency of iron to form molecular aggregates in systems containing water or alcohol, together with the fact that each iron atom possesses a large number of unpaired electrons (5 for high-spin FeIII) often results in products possessing large spin ground states (S). The current record-holder for iron is a Fe19 complex, with at least 33 unpaired electrons in the ground state (S = 33/2). Hence, iron is also important in the rapidly developing field of molecular magnetic materials. For these two reasons, the preparation of iron clusters with new topologies and properties has become a major goal of many synthetic inorganic groups, including our own. In this thesis work, synthetic and spectroscopic methods of inorganic coordination chemistry were used to achieve two different goals: firstly, to synthesize dinuclear iron complexes with the use of tetradentate ligands in order to study the magnetic interactions between the two metal centers; and secondly, to identify reactions and characterize the products whereby pre-formed iron oxide clusters undergo aggregation reactions to produce higher nuclearity products. The tetradentate ligands investigated were a bis-(beta-diketone) ligand L and a bis-bpy ligand L'. The reactions involving L and Fe(III) reagents produced complexes with a triple

  15. Soil structure and soil organic matter: I. Distribution of aggregate size classes and aggregate associated carbon


    J. Six; K. Paustian; Elliott, E.T.; C. Combrink


    Metadata only record This study compares aggregate size and carbon in three different soils, each with three tillage treatments (native vegetation (NV), no-tillage (NT), and conventional tillage (CT)).

  16. Influence of granitic aggregates from Northeast Brazil on the alkali-aggregate reaction

    Energy Technology Data Exchange (ETDEWEB)

    Gomes Neto, David de Paiva; Santana, Rodrigo Soares de; Barreto, Ledjane Silva, E-mail: [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Ciencias dos Materiais e Engenharia; Conceicao, Herbert; Lisboa, Vinicios Anselmo Carvalho [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Dept. de Geologia


    The alkali-aggregate reaction (AAR) in concrete structures is a problem that has concerned engineers and researchers for decades. This reaction occurs when silicates in the aggregates react with the alkalis, forming an expanded gel that can cause cracks in the concrete and reduce its lifespan. The aim of this study was to characterize three coarse granitic aggregates employed in concrete production in northeastern Brazil, correlating petrographic analysis with the kinetics of silica dissolution and the evolution of expansions in mortar bars, assisted by SEM/EDS, XRD, and EDX. The presence of grains showing recrystallization into individual microcrystalline quartz subgrains was associated with faster dissolution of silica and greater expansion in mortar bars. Aggregates showing substantial deformation, such as stretched grains of quartz with strong undulatory extinction, experienced slower dissolution, with reaction and expansion occurring over longer periods that could not be detected using accelerated tests with mortar bars. (author)

  17. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates. (United States)

    Siringi, Gideon; Abolmaali, Ali; Aswath, Pranesh B


    Tire derived aggregate (TDA) has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA) and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength) based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA.

  18. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates (United States)

    Siringi, Gideon; Abolmaali, Ali; Aswath, Pranesh B.


    Tire derived aggregate (TDA) has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA) and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength) based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA. PMID:26161440

  19. Properties of Concrete with Tire Derived Aggregate Partially Replacing Coarse Aggregates

    Directory of Open Access Journals (Sweden)

    Gideon Siringi


    Full Text Available Tire derived aggregate (TDA has been proposed as a possible lightweight replacement for mineral aggregate in concrete. The role played by the amount of TDA replacing coarse aggregate as well as different treatment and additives in concrete on its properties is examined. Conventional concrete (without TDA and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, splitting tensile strength based on ASTM C496, modulus of rupture (flexural strength based on ASTM C78, and bond stress based on ASTM C234. Results indicate that while replacement of coarse aggregates with TDA results in reduction in strength, it may be mitigated with addition of silica fume to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product while utilizing recycled TDA.

  20. Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration. (United States)

    Ekins, Sean; Clark, Alex M; Williams, Antony J


    The Open Drug Discovery Teams (ODDT) project provides a mobile app primarily intended as a research topic aggregator of predominantly open science data collected from various sources on the internet. It exists to facilitate interdisciplinary teamwork and to relieve the user from data overload, delivering access to information that is highly relevant and focused on their topic areas of interest. Research topics include areas of chemistry and adjacent molecule-oriented biomedical sciences, with an emphasis on those which are most amenable to open research at present. These include rare and neglected diseases, and precompetitive and public-good initiatives such as green chemistry. The ODDT project uses a free mobile app as user entry point. The app has a magazine-like interface, and server-side infrastructure for hosting chemistry-related data as well as value added services. The project is open to participation from anyone and provides the ability for users to make annotations and assertions, thereby contributing to the collective value of the data to the engaged community. Much of the content is derived from public sources, but the platform is also amenable to commercial data input. The technology could also be readily used in-house by organizations as a research aggregator that could integrate internal and external science and discussion. The infrastructure for the app is currently based upon the Twitter API as a useful proof of concept for a real time source of publicly generated content. This could be extended further by accessing other APIs providing news and data feeds of relevance to a particular area of interest. As the project evolves, social networking features will be developed for organizing participants into teams, with various forms of communication and content management possible.

  1. The ecotoxicology and chemistry of manufactured nanoparticles. (United States)

    Handy, Richard D; von der Kammer, Frank; Lead, Jamie R; Hassellöv, Martin; Owen, Richard; Crane, Mark


    The emerging literature on the ecotoxicity of nanoparticles and nanomaterials is summarised, then the fundamental physico-chemistry that governs particle behaviour is explained in an ecotoxicological context. Techniques for measuring nanoparticles in various biological and chemical matrices are also outlined. The emerging ecotoxicological literature shows toxic effects on fish and invertebrates, often at low mg l(-1) concentrations of nanoparticles. However, data on bacteria, plants, and terrestrial species are particularly lacking at present. Initial data suggest that at least some manufactured nanoparticles may interact with other contaminants, influencing their ecotoxicity. Particle behaviour is influenced by particle size, shape, surface charge, and the presence of other materials in the environment. Nanoparticles tend to aggregate in hard water and seawater, and are greatly influenced by the specific type of organic matter or other natural particles (colloids) present in freshwater. The state of dispersion will alter ecotoxicity, but many abiotic factors that influence this, such as pH, salinity, and the presence of organic matter remain to be systematically investigated as part of ecotoxicological studies. Concentrations of manufactured nanoparticles have rarely been measured in the environment to date. Various techniques are available to characterise nanoparticles for exposure and dosimetry, although each of these methods has advantages and disadvantages for the ecotoxicologist. We conclude with a consideration of implications for environmental risk assessment of manufactured nanoparticles.

  2. Biological framework for soil aggregation: Implications for ecological functions. (United States)

    Ghezzehei, Teamrat; Or, Dani


    Soil aggregation is heuristically understood as agglomeration of primary particles bound together by biotic and abiotic cementing agents. The organization of aggregates is believed to be hierarchical in nature; whereby primary particles bond together to form secondary particles and subsequently merge to form larger aggregates. Soil aggregates are not permanent structures, they continuously change in response to internal and external forces and other drivers, including moisture, capillary pressure, temperature, biological activity, and human disturbances. Soil aggregation processes and the resulting functionality span multiple spatial and temporal scales. The intertwined biological and physical nature of soil aggregation, and the time scales involved precluded a universally applicable and quantifiable framework for characterizing the nature and function of soil aggregation. We introduce a biophysical framework of soil aggregation that considers the various modes and factors of the genesis, maturation and degradation of soil aggregates including wetting/drying cycles, soil mechanical processes, biological activity and the nature of primary soil particles. The framework attempts to disentangle mechanical (compaction and soil fragmentation) from in-situ biophysical aggregation and provides a consistent description of aggregate size, hierarchical organization, and life time. It also enables quantitative description of biotic and abiotic functions of soil aggregates including diffusion and storage of mass and energy as well as role of aggregates as hot spots of nutrient accumulation, biodiversity, and biogeochemical cycles.

  3. Effect of antimicrobial preservatives on partial protein unfolding and aggregation. (United States)

    Hutchings, Regina L; Singh, Surinder M; Cabello-Villegas, Javier; Mallela, Krishna M G


    One-third of protein formulations are multi-dose. These require antimicrobial preservatives (APs); however, some APs have been shown to cause protein aggregation. Our previous work on a model protein cytochrome c indicated that partial protein unfolding, rather than complete unfolding, triggers aggregation. Here, we examined the relative strength of five commonly used APs on such unfolding and aggregation, and explored whether stabilizing the aggregation 'hot-spot' reduces such aggregation. All APs induced protein aggregation in the order m-cresol > phenol > benzyl alcohol > phenoxyethanol > chlorobutanol. All these enhanced the partial protein unfolding that includes a local region which was predicted to be the aggregation 'hot-spot'. The extent of destabilization correlated with the extent of aggregation. Further, we show that stabilizing the 'hot-spot' reduces aggregation induced by all five APs. These results indicate that m-cresol causes the most protein aggregation, whereas chlorobutanol causes the least protein aggregation. The same protein region acts as the 'hot-spot' for aggregation induced by different APs, implying that developing strategies to prevent protein aggregation induced by one AP will also work for others.

  4. Incorporation of Medicinal Chemistry into the Organic Chemistry Curriculum (United States)

    Forbes, David C.


    Application of concepts presented in organic chemistry lecture using a virtual project involving the sythesis of medicinally important compounds is emphasized. The importance of reinforcing the concepts from lecture in lab, thus providing a powerful instructional means is discussed.

  5. Smart Cities Will Need Chemistry

    Directory of Open Access Journals (Sweden)

    Alexandru WOINAROSCHY


    Full Text Available A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cost effective. There are six broad critical elements of any smart city: water management systems; infrastructure; transportation; energy; waste management and raw materials consumption. In all these elements chemistry and chemical engineering are deeply involved.

  6. Advances in electron transfer chemistry

    CERN Document Server

    Mariano, Patrick S


    Advances in Electron Transfer Chemistry, Volume 3 presents studies that discuss findings in the various aspects of electron chemistry. The book is comprised of four chapters; each chapter reviews a work that tackles an issue in electron transfer chemistry. Chapter 1 discusses the photoinduced electron transfer in flexible biaryl donor-acceptor molecules. Chapter 2 tackles light-induced electron transfer in inorganic systems in homogeneous and heterogeneous phases. The book also covers internal geometry relaxation effects on electron transfer rates of amino-centered systems. The sequential elec

  7. The radiation chemistry of macromolecules

    CERN Document Server


    The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An

  8. Catalysis and sustainable (green) chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Centi, Gabriele; Perathoner, Siglinda [Dipartimento di Chimica Industriale ed Ingegneria dei Materiali, University of Messina, Salita Sperone 31, 98166 Messina (Italy)


    Catalysis is a key technology to achieve the objectives of sustainable (green) chemistry. After introducing the concepts of sustainable (green) chemistry and a brief assessment of new sustainable chemical technologies, the relationship between catalysis and sustainable (green) chemistry is discussed and illustrated via an analysis of some selected and relevant examples. Emphasis is also given to the concept of catalytic technologies for scaling-down chemical processes, in order to develop sustainable production processes which reduce the impact on the environment to an acceptable level that allows self-depuration processes of the living environment.

  9. Foam stabilization by solid particle aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Guignot, S.; Faure, S. [CEA Marcoule, Lab. des Procedes Avances de Decontamination, 30 (France); Pitois, O. [UniversiteParis-Est Marne-La-Valle, Lab. Physique des Materiaux Divises et des Interfaces (LPMDI), 77 - Marne la Vallee (France)


    During the dismantling of nuclear facilities, radioactive deposits on exposed areas are removed and solubilized by successive rinses of reactive liquid. Using this liquid in a foam state reduces the amount of resulting wastes. During the required decontamination time (1 to 5 hours) the foam has to be sufficiently wet (1). In the Laboratory of Advanced Processes for Decontamination, new formulations are currently studied to slow down the drainage kinetics of these foams, by adding colloidal particles of hydrophilic fumed silica into the classical mixtures of well-defined non ionic foaming surfactants previously used (2). The objective of our study is to shed light on the foam surprising stability induced by these particles. The study focuses on drainage of foams generated by air sparging through a suspension lying on a porous glass. The foaming suspensions contain between 0 and 70 g.L-1 of a fumed silica (Aerosil 380) which is well-known to form gels for concentrations above 200 g.L{sup -1}. In the studied solutions this silica builds up into aggregates of dozens of microns, whose volume-averaged mean diameter after sonication is centred around 300 nm. Under gentle stirring, they display no sign of re-aggregation during 24 h. On a free drainage configuration, a foam that contains particles keeps a significant amount of its initial liquid: up to 60 % during up to 5 hours, in contrast to classical foams that drain out all of their liquid in about 20 minutes. From a rheological point of view, the most concentrated suspensions display a yield stress behaviour. This evidences the structuring of the aggregates into a coherent network that might explain the incomplete drainage of the solutions. For the lowest concentrated solutions, such rheological properties have not been observed although the corresponding foams can retain large amount of solution. This suggests that local concentrations of aggregates can rise owing to their retention by foam channels, until they form

  10. Alcohol combustion chemistry

    KAUST Repository

    Sarathy, Mani


    Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale

  11. Effect of aggregation kinetics on the thermal conductivity of nanoscale colloidal solutions (nanofluid). (United States)

    Prasher, Ravi; Phelan, Patrick E; Bhattacharya, Prajesh


    The thermal conductivity, k, of nanoscale colloidal suspensions (also known as nanofluid), consisting of nanoparticles suspended in a base liquid, is much higher than the thermal conductivity of the base liquid at very small volume fractions of the nanoparticles. However, experimental results from various groups all across the world have shown various anomalies such as a peak in the enhancement of k with respect to nanoparticle size, an increase as well as a decrease in the ratio of k of these colloidal solutions with the k of the base fluid with increasing temperature, and a dependence of k on pH and time. In this paper, the aggregation kinetics of nanoscale colloidal solutions are combined with the physics of thermal transport to capture the effects of aggregation on k. Results show that the observed anomalies reported in experimental work can be well described by taking aggregation kinetics into account. Finally, we show that colloidal chemistry plays a significant role in deciding the k of colloidal nanosuspensions.

  12. Impact of Al2O3 on the aggregation and deposition of graphene oxide. (United States)

    Ren, Xuemei; Li, Jiaxing; Tan, Xiaoli; Shi, Weiqun; Chen, Changlun; Shao, Dadong; Wen, Tao; Wang, Longfei; Zhao, Guixia; Sheng, Guoping; Wang, Xiangke


    To assess the environmental behavior and impact of graphene oxide (GO) on living organisms more accurately, the aggregation of GO and its deposition on Al2O3 particles were systematically investigated using batch experiments across a wide range of solution chemistries. The results indicated that the aggregation of GO and its deposition on Al2O3 depended on the solution pH and the types and concentrations of electrolytes. MgCl2 and CaCl2 destabilized GO because of their effective charge screening and neutralization, and the presence of NaH2PO4 and poly(acrylic acid) (PAA) improved the stability of GO with the increase in pH values as a result of electrostatic interactions and steric repulsion. Specifically, the dissolution of Al2O3 contributed to GO aggregation at relatively low pH or high pH values. Results from this study provide critical information for predicting the fate of GO in aquatic-terrestrial transition zones, where aluminum (hydro)oxides are present.

  13. An Evaluation of Chemistry I Textbook by Chemistry Teachers


    Abdullah AYDIN


    Textbooks are one of the most consulted sources in the processes of teaching- learning and assessment. It is indispensable to prepare textbooks in accordance with the curriculum to ensure effective teaching and learning. “Teacher evaluation questionnaire” consistingof 20 questions has been prepared to evaluate secondary level IXth class chemistry textbook in terms of its content. This questionnaire was carried out with 31 secondary level chemistry teachers who work in the public schools and 1...

  14. E factors, green chemistry and catalysis: an odyssey. (United States)

    Sheldon, Roger A


    The development of green chemistry is traced from the introduction of the concepts of atom economy (atom utilisation) and E factors in the early 1990s. The important role of catalysis in reducing or eliminating waste is emphasised and illustrated with examples from heterogeneous catalytic oxidations with hydrogen peroxide, homogeneous catalytic oxidations and carbonylations and organocatalytic oxidations with stable N-oxy radicals. Catalytic reactions in non-conventional media, e.g. aqueous biphasic, supercritical carbon dioxide and ionic liquids, are presented. Biotransformations involving non-natural reactions of enzymes, e.g. ester ammoniolysis, and the rational design of semi-synthetic enzymes, such as vanadate phytase, are discussed. The optimisation of enzyme properties using in vitro evolution and improvement of their operational stability by immobilisation as cross-linked enzyme aggregates (CLEA) are presented. The ultimate in green chemistry is the integration of catalytic steps into a one-pot, catalytic cascade process. An example of a chemoenzymatic synthesis of an enantiomerically pure amino acid in water and a trienzymatic cascade process using a triple-decker oxynitrilase/nitrilase/amidase CLEA are discussed. Finally, catalytic conversions of renewable raw materials are examined and the biocatalytic aerobic oxidation of starch to carboxy starch is presented as an example of green chemistry in optima forma i.e. a biocompatible product from a renewable raw material using a biocatalytic air oxidation.

  15. Pore structure of natural and regenerated soil aggregates

    DEFF Research Database (Denmark)

    Naveed, Muhammad; Arthur, Emmanuel; de Jonge, Lis Wollesen


    Quantitative characterization of aggregate pore structure can reveal the evolution of aggregates under different land use and management practices and their effects on soil processes and functions. Advances in X-ray Computed Tomography (CT) provide powerful means to conduct such characterization....... This study examined aggregate pore structure of three differently managed same textured Danish soils (mixed forage cropping, MFC; mixed cash cropping, MCC; cereal cash cropping, CCC) for (i) natural aggregates, and (ii) aggregates regenerated after 20 months of incubation. In total, 27 aggregates (8-16 mm......) were sampled from nine different treatments; 3 natural soils and 3 repacked lysimeters without and 3 with organic matter (ground rape) amendment. Three dimensional X-ray CT images, tensile strength, and organic carbon were obtained for each aggregate. Aggregate-associated organic carbon differed...

  16. Shaping the Growth Behaviour of Bacterial Aggregates in Biofilms

    CERN Document Server

    Melaugh, Gavin; Kragh, Kasper Nørskov; Irie, Yasuhiko; Roberts, Aled; Bjarnsholt, Thomas; Diggle, Steve P; Gordon, Vernita; Allen, Rosalind J


    Bacterial biofilms are usually assumed to originate from individual cells deposited on a surface. However, many biofilm-forming bacteria tend to aggregate in the planktonic phase meaning it is possible that many natural and infectious biofilms originate wholly or partially from pre-formed cell aggregates. Here, we use agent-based computer simulations to investigate the role of pre-formed aggregates in biofilm development. Focusing on the role of aggregate shape, we find that the degree of spreading of an aggregate on a surface can play a key role in determining its eventual fate during biofilm development. Specifically, initially spread aggregates perform better when competition with surrounding bacterial cells is low, while initially rounded aggregates perform better when competition is high. These contrasting outcomes are governed by a trade-off between aggregate surface area and height. Our results provide new insight into biofilm formation and development, and reveal new factors that may be at play in the...

  17. Effects of Titanium Dioxide Nanoparticle Aggregate Size on Gene Expression

    Directory of Open Access Journals (Sweden)

    Junko Okuda-Shimazaki


    Full Text Available Titanium dioxide (titania nanoparticle aggregation is an important factor in understanding cytotoxicity. However, the effect of the aggregate size of nanoparticles on cells is unclear. We prepared two sizes of titania aggregate particles and investigated their biological activity by analyzing biomarker expression based on mRNA expression analysis. The aggregate particle sizes of small and large aggregated titania were 166 nm (PDI = 0.291 and 596 nm (PDI = 0.417, respectively. These two size groups were separated by centrifugation from the same initial nanoparticle sample. We analyzed the gene expression of biomarkers focused on stress, inflammation, and cytotoxicity. Large titania aggregates show a larger effect on cell viability and gene expression when compared with the small aggregates. This suggests that particle aggregate size is related to cellular effects.

  18. Colonization of diatom aggregates by the dinoflagellate Noctiluca scintillans

    DEFF Research Database (Denmark)

    Tiselius, P.; Kiørboe, Thomas


    Abundance and vertical distribution of the dinoflagellate Noctiluca scintillans were studied during a diatom bloom in the Benguela current. Video observations showed the occurrence of abundant Chaetoceros spp. aggregates colonized by N. scintillans. The diatom aggregates were formed by regular...

  19. One-step preparation and pH-tunable self-aggregation of amphoteric aliphatic polycarbonates bearing plenty of amine and carboxyl groups. (United States)

    Wang, Hua-Fen; Jia, Hui-Zhen; Zhu, Jing-Yi; Chu, Yan-Feng; Feng, Jun; Zhang, Xian-Zheng; Zhuo, Ren-Xi


    This paper reports a novel amphoteric aliphatic polycarbonate bearing both amine and carboxyl groups. In the absence of protection-deprotection chemistry, the multi-functionalized copolymer is synthesized by one-step enzymatic copolymerization. The influences of the reaction conditions including monomer feed ratio and polymerization time are explored. The simultaneous incorporation of amine and carboxyl functionalities provides the copolymer with a pH-tunable self-aggregation feature, leading to various aggregation states including precipitated agglomerate, well-dispersed positively or negatively charged nanoparticles in a controlled manner. The copolymer displays minimal cytotoxicity to 293T and HeLa cells.

  20. Computational chemistry research (United States)

    Levin, Eugene


    Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.

  1. Nuclear chemistry progress report

    Energy Technology Data Exchange (ETDEWEB)

    Viola, V.E.; Kwiatkowski, K.


    This is the annual progress report for the Indiana University nuclear chemistry program for the 1992/1993 year. Accomplishments include the construction, testing, and initial experimental runs of the Indiana Silicon Sphere (ISiS) 4{pi} charged particle detector. ISiS is designed to study energy dissipation and multifragmentation phenomena in light-ion-induced nuclear reactions at medium-to-high energies. Its second test run was to examine 3.6 GeV {sup 3}He beam reactions at Laboratoire National Saturne (LNS) in Saclay. The development and deployment of this system has occupied a great deal of the groups effort this reporting period. Additional work includes: calculations of isotopic IMF yields in the {sup 4}He + {sup 116,124}Sn reaction; cross sections for A = 6 - 30 fragments from the {sup 4}He + {sup 28}Si reaction at 117 and 198 MeV; charging effects of passivated silicon detectors; neck emission of intermediate-mass fragments in the fission of hot heavy nuclei.

  2. Computational Chemistry and Lubrication (United States)

    Zehe, Michael J.


    Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

  3. Atmospheric and aerosol chemistry

    Energy Technology Data Exchange (ETDEWEB)

    McNeill, V. Faye [Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering; Ariya, Parisa A. (ed.) [McGill Univ. Montreal, QC (Canada). Dept. of Chemistry; McGill Univ. Montreal, QC (Canada). Dept. of Atmospheric and Oceanic Sciences


    This series presents critical reviews of the present position and future trends in modern chemical research. Short and concise reports on chemistry, each written by the world renowned experts. Still valid and useful after 5 or 10 years. More information as well as the electronic version of the whole content available at: Christian George, Barbara D'Anna, Hartmut Herrmann, Christian Weller, Veronica Vaida, D. J. Donaldson, Thorsten Bartels-Rausch, Markus Ammann Emerging Areas in Atmospheric Photochemistry. Lisa Whalley, Daniel Stone, Dwayne Heard New Insights into the Tropospheric Oxidation of Isoprene: Combining Field Measurements, Laboratory Studies, Chemical Modelling and Quantum Theory. Neil M. Donahue, Allen L. Robinson, Erica R. Trump, Ilona Riipinen, Jesse H. Kroll Volatility and Aging of Atmospheric Organic Aerosol. P. A. Ariya, G. Kos, R. Mortazavi, E. D. Hudson, V. Kanthasamy, N. Eltouny, J. Sun, C. Wilde Bio-Organic Materials in the Atmosphere and Snow: Measurement and Characterization V. Faye McNeill, Neha Sareen, Allison N. Schwier Surface-Active Organics in Atmospheric Aerosols.

  4. Structural transition metal chemistry

    CERN Document Server

    Anderson, K M


    This thesis is divided up into five chapters as outlined below. Chapter 1 gives the background to the techniques used in this thesis including X-ray structure determination and ab initio methods. An overview of some recent studies using ab initio methods to study transition metal complexes is also given. Chapter 2 investigates structural trans influence in a number of transition metal and p-block complexes. The database and ab initio studies showed that the classical trans influence model based on Pt(II) chemistry does not always hold. For some systems (eg. d sup 1 sup 0 s sup 0 for Sb sup V and Sn sup I sup V) the cis influence is of similar magnitude to the trans influence. For other systems (d sup 0), the trans influence is not as powerful as usually assumed. Chapter 3 is an investigation into the bridging chloride unit. A database study was performed on three systems (M-CI-M', M-CI...H and M-CI...Li/Na/K). Reaction pathway analysis was carried out for the M-CI-M' case and showed that bond order is not con...

  5. Statistical mixing and aggregation in Feller diffusion (United States)

    Anteneodo, C.; Duarte Queirós, S. M.


    We consider Feller mean-reverting square-root diffusion, which has been applied to model a wide variety of processes with linearly state-dependent diffusion, such as stochastic volatility and interest rates in finance, and neuronal and population dynamics in the natural sciences. We focus on the statistical mixing (or superstatistical) process in which the parameter related to the mean value can fluctuate—a plausible mechanism for the emergence of heavy-tailed distributions. We obtain analytical results for the associated probability density function (both stationary and time-dependent), its correlation structure and aggregation properties. Our results are applied to explain the statistics of stock traded volume at different aggregation scales.

  6. Topological data analysis of biological aggregation models. (United States)

    Topaz, Chad M; Ziegelmeier, Lori; Halverson, Tom


    We apply tools from topological data analysis to two mathematical models inspired by biological aggregations such as bird flocks, fish schools, and insect swarms. Our data consists of numerical simulation output from the models of Vicsek and D'Orsogna. These models are dynamical systems describing the movement of agents who interact via alignment, attraction, and/or repulsion. Each simulation time frame is a point cloud in position-velocity space. We analyze the topological structure of these point clouds, interpreting the persistent homology by calculating the first few Betti numbers. These Betti numbers count connected components, topological circles, and trapped volumes present in the data. To interpret our results, we introduce a visualization that displays Betti numbers over simulation time and topological persistence scale. We compare our topological results to order parameters typically used to quantify the global behavior of aggregations, such as polarization and angular momentum. The topological calculations reveal events and structure not captured by the order parameters.

  7. Fluorosurfactants at structural extremes: adsorption and aggregation. (United States)

    Eastoe, Julian; Rogers, Sarah E; Martin, Laura J; Paul, Alison; Guittard, Frédéric; Guittard, Elisabeth; Heenan, Richard K; Webster, John R P


    Fluorosurfactants with several structural modifications have been synthesized, and the air/water interface and bulk aggregation properties investigated. The compounds were fluorinated ethylene oxide (EO) nonionics where the number and position of the hydrophilic group(s) has been radically altered to generate linear, bolaform, and Y-shaped analogues. A noticeable structure-interfacial packing relationship was observed via both tensiometric measurements and neutron reflection studies: the limiting molecular areas, a(cmc), and surface excesses, gamma(cmc), are strongly dependent on the number and position of the EO headgroups. Differing bulk aqueous properties were also observed. Small-angle neutron scattering shows an evolution of micelle structure from cylindrical to disk-like aggregates on changing from Y-shaped to bolaform molecular structure.

  8. Spatial control of chirality in supramolecular aggregates. (United States)

    Castriciano, Maria A; Gentili, Denis; Romeo, Andrea; Cavallini, Massimiliano; Scolaro, Luigi Monsù


    Chirality is one of the most intriguing properties of matter related to a molecule's lack of mirror symmetry. The transmission of chirality from the molecular level up to the macroscopic scale has major implications in life sciences but it is also relevant for many chemical applications ranging from catalysis to spintronic. These technological applications require an accurate control of morphology, homogeneity and chiral handedness of thin films and nanostructures. We demonstrate a simple approach to specifically transfer chirality to the model supramolecular system of J aggregates of the protonated form of tetrakis(4-sulfonatophenyl)-porphyrin by utilizing a soft lithography technique. This approach successfully allows the fabrication of an ordered distribution of sub-micrometric structures in precise and controllable positions with programmed chirality, providing a fundamental breakthrough toward the exploitation of chiral supramolecular aggregates in technological applications, such as sensors, non-linear optics and spintronic.

  9. Diffusion-Limited Aggregation with Polygon Particles

    Institute of Scientific and Technical Information of China (English)

    邓礼; 王延颋; 欧阳钟灿


    Diffusion-limited aggregation (DLA) assumes that particles perform pure random walk at a finite tem- perature and aggregate when they come close enough and stick together. Although it is well known that DLA in two dimensions results in a ramified fractal structure, how the particle shape influences the formed morphology is still un- clear. In this work, we perform the off-lattice two-dimensional DLA simulations with different particle shapes of triangle, quadrangle, pentagon, hexagon, and octagon, respectively, and compare with the results for circular particles. Our results indicate that different particle shapes only change the local structure, but have no effects on the global structure of the formed fractal duster. The local compactness decreases as the number of polygon edges increases.

  10. Spatial control of chirality in supramolecular aggregates (United States)

    Castriciano, Maria A.; Gentili, Denis; Romeo, Andrea; Cavallini, Massimiliano; Scolaro, Luigi Monsù


    Chirality is one of the most intriguing properties of matter related to a molecule’s lack of mirror symmetry. The transmission of chirality from the molecular level up to the macroscopic scale has major implications in life sciences but it is also relevant for many chemical applications ranging from catalysis to spintronic. These technological applications require an accurate control of morphology, homogeneity and chiral handedness of thin films and nanostructures. We demonstrate a simple approach to specifically transfer chirality to the model supramolecular system of J aggregates of the protonated form of tetrakis(4-sulfonatophenyl)-porphyrin by utilizing a soft lithography technique. This approach successfully allows the fabrication of an ordered distribution of sub-micrometric structures in precise and controllable positions with programmed chirality, providing a fundamental breakthrough toward the exploitation of chiral supramolecular aggregates in technological applications, such as sensors, non-linear optics and spintronic. PMID:28275239

  11. Neutral Aggregation in Finite Length Genotype space

    CERN Document Server

    Houchmandzadeh, Bahram


    The advent of modern genome sequencing techniques allows for a more stringent test of the neutrality hypothesis of Evolution, where all individuals have the same fitness. Using the individual based model of Wright and Fisher, we compute the amplitude of neutral aggregation in the genome space, i.e., the probability PL,$\\Theta$,M (k) of finding two individuals at genetic distance k for a genome of size L and mutation and migration number $\\Theta$ and M. In well mixed populations, we show that for $\\Theta$ $\\ll$ L, neutral aggregation is the dominant force and most individuals are found at short genetic distances from each other. For $\\Theta$ $\\sim$ L/2 on the contrary, individuals are randomly dispersed in genome space. For a geographically dispersed population, the controlling parameter is a combination of mutation and migration numbers. The theory we develop can be used to test the neutrality hypothesis in various ecological and evolutionary systems.

  12. Mapuche Herbal Medicine Inhibits Blood Platelet Aggregation

    Directory of Open Access Journals (Sweden)

    Susan Skanderup Falkenberg


    Full Text Available 12 plant species traditionally used by the Mapuche people in Chile to treat wounds and inflammations have been evaluated for their direct blood platelet inhibition. Seven of the 12 tested plant species showed platelet inhibitory effect in sheep blood, and four of these were also able to inhibit the ADP- (5.0 μM and collagen- (2.0 μg/mL induced aggregations in human blood. These four species in respective extracts (in brackets were Blechnum chilense (MeOH, Luma apiculata (H2O, Amomyrtus luma (DCM : MeOH 1 : 1 and Cestrum parqui (DCM : MeOH 1 : 1. The platelet aggregating inhibitory effects of A. luma (DCM : MeOH 1 : 1, and L. apiculata (H2O were substantial and confirmed by inhibition of platelet surface activation markers.

  13. Rank Aggregation via Nuclear Norm Minimization

    CERN Document Server

    Gleich, David F


    The process of rank aggregation is intimately intertwined with the structure of skew-symmetric matrices. We apply recent advances in the theory and algorithms of matrix completion to skew-symmetric matrices. This combination of ideas produces a new method for ranking a set of items. The essence of our idea is that a rank aggregation describes a partially filled skew-symmetric matrix. We extend an algorithm for matrix completion to handle skew-symmetric data and use that to extract ranks for each item. Our algorithm applies to both pairwise comparison and rating data. Because it is based on matrix completion, it is robust to both noise and incomplete data. We show a formal recovery result for the noiseless case and present a detailed study of the algorithm on synthetic data and Netflix ratings.

  14. Monitoring nanoparticle aggregation by optical procedures (United States)

    Chicea, Dan


    The traditional Dynamic Light Scattering (DLS) produces the average size of the suspended particles from a recorded time series of the light scattered at a particular angle. A modified and simplified version of DLS was designed, tested and used in monitoring FE3O4 nanoparticle aggregation in aqueous suspensions. In addition two another simple and easy to implement optical procedures were tested aiming a qualitative monitoring of the nanoparticle aggregation process. One of them consists of monitoring the time variation of the scattered light intensity at a certain angle and fitting an analytic function on it and the other one in monitoring the refractive index of the aqueous suspension during nanofluid dilution. The results are presented and discussed.

  15. Design of Road Pavement Using Recycled Aggregate (United States)

    Remišová, Eva; Decký, Martin; Mikolaš, Milan; Hájek, Matej; Kovalčík, Luboš; Mečár, Martin


    The presented article gives special attention to codified clauses of the road construction law, the relevant clauses of the standards and technical regulations to design and control the quality of recycled aggregate constructions. The article also presents the authors’ suggestions to design of earth constructions and pavements of roads according to the Slovak technical standards, technical regulations and objectively determined results of research and development of road infrastructure. The article presents a comparison of the mechanical characteristics measurements of the structural layers of road pavements built from the recycled and natural aggregate. It also presents correlation functions of results obtained from in situ and in laboratory CBR (Californian Bearing Ratio) measuring, representing the world's most widely used control method of bearing capacity of mentioned construction layers.

  16. Structural Transitions and Aggregation in Amyloidogenic Proteins (United States)

    Steckmann, Timothy; Chapagain, Prem; Gerstman, Bernard; Computational and Theoretical Biophysics Group at Florida International University Team


    Amyloid fibrils are a common component in many debilitating human neurological diseases such as Alzheimer's and Parkinson's. A detailed molecular-level understanding of the formation process of amyloid fibrils is crucial for developing methods to slow down or prevent these horrific diseases. Alpha-helix to beta-sheet structural transformation is commonly observed in the process of fibril formation. We performed replica-exchange molecular dynamics simulations of structural transformations in an engineered model peptide cc-beta. Several sets of simulations with different number of cc-beta monomers were considered. Conversion of alpha-helix monomers to beta strands and the aggregation of beta strand monomers into sheets were analyzed as a function of the system size. Hydrogen bond analysis was performed and the beta-aggregate structures were characterized by a nematic order parameter.

  17. Modeling decisions information fusion and aggregation operators

    CERN Document Server

    Torra, Vicenc


    Information fusion techniques and aggregation operators produce the most comprehensive, specific datum about an entity using data supplied from different sources, thus enabling us to reduce noise, increase accuracy, summarize and extract information, and make decisions. These techniques are applied in fields such as economics, biology and education, while in computer science they are particularly used in fields such as knowledge-based systems, robotics, and data mining. This book covers the underlying science and application issues related to aggregation operators, focusing on tools used in practical applications that involve numerical information. Starting with detailed introductions to information fusion and integration, measurement and probability theory, fuzzy sets, and functional equations, the authors then cover the following topics in detail: synthesis of judgements, fuzzy measures, weighted means and fuzzy integrals, indices and evaluation methods, model selection, and parameter extraction. The method...

  18. Dataset of aggregate producers in New Mexico (United States)

    Orris, Greta J.


    This report presents data, including latitude and longitude, for aggregate sites in New Mexico that were believed to be active in the period 1997-1999. The data are presented in paper form in Part A of this report and as Microsoft Excel 97 and Data Interchange Format (DIF) files in Part B. The work was undertaken as part of the effort to update information for the National Atlas. This compilation includes data from: the files of U.S. Geological Survey (USGS); company contacts; the New Mexico Bureau of Mines and Mineral Resources, New Mexico Bureau of Mine Inspection, and the Mining and Minerals Division of the New Mexico Energy, Minerals and Natural Resources Department (Hatton and others, 1998); the Bureau of Land Management Information; and direct communications with some of the aggregate operators. Additional information on most of the sites is available in Hatton and others (1998).

  19. Aggregate geometry in amyloid fibril nucleation

    CERN Document Server

    Irbäck, A; Linnemann, N; Linse, B; Wallin, S; 10.1103/PhysRevLett.110.058101


    We present and study a minimal structure-based model for the self-assembly of peptides into ordered beta-sheet-rich fibrils. The peptides are represented by unit-length sticks on a cubic lattice and interact by hydrogen bonding and hydrophobicity forces. By Monte Carlo simulations with >100,000 peptides, we show that fibril formation occurs with sigmoidal kinetics in the model. To determine the mechanism of fibril nucleation, we compute the joint distribution in length and width of the aggregates at equilibrium, using an efficient cluster move and flat-histogram techniques. This analysis, based on simulations with 256 peptides in which aggregates form and dissolve reversibly, shows that the main free-energy barriers that a nascent fibril has to overcome are associated with changes in width.

  20. Important Features of Sustainable Aggregate Resource Management

    Directory of Open Access Journals (Sweden)

    Slavko V. Šolar


    Full Text Available Every society, whether developed, developing or in a phase of renewal following governmental change, requires stable, adequate and secure supplies of natural resources. In the latter case, there could be significant need for construction materials for rebuilding infrastructure, industrial capacity, and housing. It is essential that these large-volume materials be provided in a rational manner that maximizes their societal contribution and minimizes environmental impacts. We describe an approach to resource management based on the principles of sustainable development. Sustainable Aggregate Resource Management offers a way of addressing the conflicting needs and interests of environmental, economic, and social systems. Sustainability is an ethics based concept that utilizes science and democratic processes to reach acceptable agreements and tradeoffs among interests, while acknowledging the fundamental importance of the environment and social goods. We discuss the features of sustainable aggregate resource management.

  1. Important features of Sustainable Aggregate Resource Management (United States)

    Solar, Slavko V.; Shields, Deborah J.; Langer, William H.


    Every society, whether developed, developing or in a phase of renewal following governmental change, requires stable, adequate and secure supplies of natural resources. In the latter case, there could be significant need for construction materials for rebuilding infrastructure, industrial capacity, and housing. It is essential that these large-volume materials be provided in a rational manner that maximizes their societal contribution and minimizes environmental impacts. We describe an approach to resource management based on the principles of sustainable developed. Sustainable Aggregate Resource Management offers a way of addressing the conflicting needs and interests of environmental, economic, and social systems. Sustainability is an ethics based concept that utilizes science and democratic processes to reach acceptable agreements and tradeoffs among interests, while acknowledging the fundamental importance of the environment and social goods. We discuss the features of sustainable aggregate resource management.

  2. Dynamics of proteins aggregation. I. Universal scaling in unbounded media (United States)

    Zheng, Size; Javidpour, Leili; Shing, Katherine S.; Sahimi, Muhammad


    It is well understood that in some cases proteins do not fold correctly and, depending on their environment, even properly-folded proteins change their conformation spontaneously, taking on a misfolded state that leads to protein aggregation and formation of large aggregates. An important factor that contributes to the aggregation is the interactions between the misfolded proteins. Depending on the aggregation environment, the aggregates may take on various shapes forming larger structures, such as protein plaques that are often toxic. Their deposition in tissues is a major contributing factor to many neuro-degenerative diseases, such as Alzheimer's, Parkinson's, amyotrophic lateral sclerosis, and prion. This paper represents the first part in a series devoted to molecular simulation of protein aggregation. We use the PRIME, a meso-scale model of proteins, together with extensive discontinuous molecular dynamics simulation to study the aggregation process in an unbounded fluid system, as the first step toward MD simulation of the same phenomenon in crowded cellular environments. Various properties of the aggregates have been computed, including dynamic evolution of aggregate-size distribution, mean aggregate size, number of peptides that contribute to the formation of β sheets, number of various types of hydrogen bonds formed in the system, radius of gyration of the aggregates, and the aggregates' diffusivity. We show that many of such quantities follow dynamic scaling, similar to those for aggregation of colloidal clusters. In particular, at long times the mean aggregate size S(t) grows with time as, S(t) ˜ tz, where z is the dynamic exponent. To our knowledge, this is the first time that the qualitative similarity between aggregation of proteins and colloidal aggregates has been pointed out.

  3. Probabilistic prediction models for aggregate quarry siting (United States)

    Robinson, G.R.; Larkins, P.M.


    Weights-of-evidence (WofE) and logistic regression techniques were used in a GIS framework to predict the spatial likelihood (prospectivity) of crushed-stone aggregate quarry development. The joint conditional probability models, based on geology, transportation network, and population density variables, were defined using quarry location and time of development data for the New England States, North Carolina, and South Carolina, USA. The Quarry Operation models describe the distribution of active aggregate quarries, independent of the date of opening. The New Quarry models describe the distribution of aggregate quarries when they open. Because of the small number of new quarries developed in the study areas during the last decade, independent New Quarry models have low parameter estimate reliability. The performance of parameter estimates derived for Quarry Operation models, defined by a larger number of active quarries in the study areas, were tested and evaluated to predict the spatial likelihood of new quarry development. Population density conditions at the time of new quarry development were used to modify the population density variable in the Quarry Operation models to apply to new quarry development sites. The Quarry Operation parameters derived for the New England study area, Carolina study area, and the combined New England and Carolina study areas were all similar in magnitude and relative strength. The Quarry Operation model parameters, using the modified population density variables, were found to be a good predictor of new quarry locations. Both the aggregate industry and the land management community can use the model approach to target areas for more detailed site evaluation for quarry location. The models can be revised easily to reflect actual or anticipated changes in transportation and population features. ?? International Association for Mathematical Geology 2007.

  4. Aggregation Operator Based Fuzzy Pattern Classifier Design

    DEFF Research Database (Denmark)

    Mönks, Uwe; Larsen, Henrik Legind


    This paper presents a novel modular fuzzy pattern classifier design framework for intelligent automation systems, developed on the base of the established Modified Fuzzy Pattern Classifier (MFPC) and allows designing novel classifier models which are hardware-efficiently implementable. The perfor....... The performances of novel classifiers using substitutes of MFPC's geometric mean aggregator are benchmarked in the scope of an image processing application against the MFPC to reveal classification improvement potentials for obtaining higher classification rates....

  5. Radiation shielding concrete made of Basalt aggregates. (United States)

    Alhajali, S; Yousef, S; Kanbour, M; Naoum, B


    In spite of the fact that Basalt is a widespread type of rock, there is very little available information on using it as aggregates for concrete radiation shielding. This paper investigates the possibility of using Basalt for the aforementioned purpose. The results have shown that Basalt could be used successfully for preparing radiation shielding concrete, but some attention should be paid to the choice of the suitable types of Basalt and for the neutron activation problem that could arise in the concrete shield.

  6. American Association for Clinical Chemistry (United States)

    ... Education Credits Certification Resources Career Guidance Publications Clinical Chemistry Clinical Laboratory News The Journal of Applied Laboratory Medicine Clinical and Forensic Toxicology News Clinical Laboratory Marketplace Books and Multimedia ...

  7. International Year of Chemistry 2011

    Institute of Scientific and Technical Information of China (English)

    XUE Zi-Ling


    Science China Chemistry would like to dedicate this special issue to the International Year of Chemistry (IYC) 2011,as part of the celebrations of IYC in China.Scientists from Australia,Brazil,Britain,Canada,Chile,China,France,Germany,India,Israel,Japan,Nepal,Pakistan,Saudi Arabia,Singapore,South Africa,and the USA have contributed 28 papers marking the event.Our authors from across the globe include students,members (a corresponding member) and fellows of national academies of sciences in several countries (Australia,Chile,China,France,India,Israel,Pakistan,and the USA),fellows of the British and Canadian Royal Societies,and two Nobel Laureates (Robert Grubbs and Ada Yonath).Here they present their work contributing to the IYC 2011 theme "Chemistry-our life,our future" [1].These papers cover fundamental chemistry,the chemical bases of life processes,and their potential applications.

  8. QDB: Validated Plasma Chemistries Database (United States)

    Rahimi, Sara; Hamilton, James; Hill, Christian; Tennyson, Jonathan; UCL Team


    One of most challenging recurring problems when modelling plasmas is the lack of data. This lack of complete and validated datasets hinders research on plasma processes and curbs development of industrial Applications. We will describe the QDB project which aims to fill this missing link by provide a platform for exchange and validation of chemistry datasets. The database will collate published data on both electron scattering and heavy particle reactions and also facilitates and encourages peer-to-peer data sharing by its users. This data platform is rigorously supported by the validation methodical validation of the datasetsan automated chemistry generator employed; this methodology identifies missing reactions in chemistries which although important are currently unreported in the literature and employs mathematical methods to analyze the importance of these chemistries. Gaps in the datasets are filled using in house theoretical methods.

  9. One century of aryne chemistry. (United States)

    Wenk, Hans Henning; Winkler, Michael; Sander, Wolfram


    Arynes, which are formally derived from aromatic rings by abstraction of two hydrogen atoms, have been a focus of organic chemistry for 100 years. In contrast to ortho-benzyne, which is mentioned in almost every introductory textbook on organic reaction mechanisms as a reactive intermediate of nucleophilic aromatic substitution, the meta and para isomers were regarded as rather exotic until recently. This situation has changed dramatically with the discovery of the enediyne antibiotics, a promising new class of antitumor drugs, and has aroused the interest of research groups from all branches of chemistry. Nowadays, arynes and related compounds are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet. In this review we outline the historical developement with an emphasis on recent progress in this challenging field of research.

  10. Plants and Medicinal Chemistry--2 (United States)

    Bailey, D.


    Second of a two part article on the influence of plants on medicinal chemistry. This part considers how drugs work, the attempts to develop anaesthetics safer than cocaine, and useful poisons. (Author/SL)

  11. Promoting sustainability through green chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kirchhoff, Mary M. [American Chemical Society, 1155 Sixteenth Street, NW, Washington, DC 20036 (United States)


    Green chemistry is an important tool in achieving sustainability. The implementation of green chemistry, the design of chemical products and processes that reduce or eliminate the use and generation of hazardous substances, is essential if the expanding global population is to enjoy an increased standard of living without having a negative impact on the health of the planet. Cleaner technologies will allow the chemical enterprise to provide society with the goods and services on which it depends in an environmentally responsible manner. Green chemistry provides solutions to such global challenges as climate change, sustainable agriculture, energy, toxics in the environment, and the depletion of natural resources. A collaborative effort by industry, academia, and government is needed to promote the adoption of the green chemistry technologies necessary to achieve a sustainable society.

  12. Aggregate of nanoparticles: rheological and mechanical properties

    Directory of Open Access Journals (Sweden)

    Wang Yu


    Full Text Available Abstract The understanding of the rheological and mechanical properties of nanoparticle aggregates is important for the application of nanofillers in nanocompoistes. In this work, we report a rheological study on the rheological and mechanical properties of nano-silica agglomerates in the form of gel network mainly constructed by hydrogen bonds. The elastic model for rubber is modified to analyze the elastic behavior of the agglomerates. By this modified elastic model, the size of the network mesh can be estimated by the elastic modulus of the network which can be easily obtained by rheology. The stress to destroy the aggregates, i.e., the yield stress (σy , and the elastic modulus (G' of the network are found to be depended on the concentration of nano-silica (ϕ, wt.% with the power of 4.02 and 3.83, respectively. Via this concentration dependent behavior, we can extrapolate two important mechanical parameters for the agglomerates in a dense packing state (ϕ = 1: the shear modulus and the yield stress. Under large deformation (continuous shear flow, the network structure of the aggregates will experience destruction and reconstruction, which gives rise to fluctuations in the viscosity and a shear-thinning behavior.

  13. Platelet aggregation associated with ethanol intoxication

    Energy Technology Data Exchange (ETDEWEB)

    Volk, S.; Walenga, J.; Fareed, J.; Schumacher, H. (Loyola Univ. Medical Center, Maywood, IL (USA))


    Alcohol is known to produce profound effects on blood; during chronic intoxication, prolongation of bleeding time has been reported. Utilizing human platelet rich plasma, we have studied the effect of alcohol on epinephrine, arachidonic acid and ADP induced aggregation. Control responses were obtained with saline from which the relative inhibition by alcohol was calculated. These studies were carried out at a concentration of 1.25-5.0 mg/ml which represents 0.125-0.5% alcohol blood levels. From 25 normal male and female volunteers, without prior hemostatic defects or drug ingestion, a dose-dependent inhibition by alcohol of all three agonist induced aggregations was noted. Alcohol itself did not produce any aggregation response. These studies demonstrate that alcohol at levels which are reached during intoxication is capable of impairing platelet function. The implication of this finding on the bleeding complications in healthy intoxicated patients may be significant during traumatic events, and individuals taking antiplatelet drugs may present a more serious hemostatic deficit during alcohol intoxication.

  14. Understanding sexual harassment using aggregate construct models. (United States)

    Nye, Christopher D; Brummel, Bradley J; Drasgow, Fritz


    Sexual harassment has received a substantial amount of empirical attention over the past few decades, and this research has consistently shown that experiencing these behaviors has a detrimental effect on employees' well-being, job attitudes, and behaviors at work. However, these findings, and the conclusions that are drawn from them, make the implicit assumption that the empirical models used to examine sexual harassment are properly specified. This article presents evidence that properly specified aggregate construct models are more consistent with theoretical structures and definitions of sexual harassment and can result in different conclusions about the nomological network of harassment. Results from 3 large samples, 2 military and 1 from a civilian population, are used to illustrate the differences between aggregate construct and reflective indicator models of sexual harassment. These analyses suggested that the factor structure and the nomological network of sexual harassment differ when modeling harassment as an aggregate construct. The implications of these results for the continued study of sexual harassment are discussed. (PsycINFO Database Record (c) 2014 APA, all rights reserved).

  15. Role of Prion Protein Aggregation in Neurotoxicity

    Directory of Open Access Journals (Sweden)

    Tullio Florio


    Full Text Available In several neurodegenerative diseases, such as Parkinson, Alzheimer’s, Huntington, and prion diseases, the deposition of aggregated misfolded proteins is believed to be responsible for the neurotoxicity that characterizes these diseases. Prion protein (PrP, the protein responsible of prion diseases, has been deeply studied for the peculiar feature of its misfolded oligomers that are able to propagate within affected brains, inducing the conversion of the natively folded PrP into the pathological conformation. In this review, we summarize the available experimental evidence concerning the relationship between aggregation status of misfolded PrP and neuronal death in the course of prion diseases. In particular, we describe the main findings resulting from the use of different synthetic (mainly PrP106-126 and recombinant PrP-derived peptides, as far as mechanisms of aggregation and amyloid formation, and how these different spatial conformations can affect neuronal death. In particular, most data support the involvement of non-fibrillar oligomers rather than actual amyloid fibers as the determinant of neuronal death.

  16. Staring at Economic Aggregators through Information Lenses

    CERN Document Server

    Nock, Richard; Celimene, Fred; Nielsen, Frank


    It is hard to exaggerate the role of economic aggregators -- functions that summarize numerous and / or heterogeneous data -- in economic models since the early XX$^{th}$ century. In many cases, as witnessed by the pioneering works of Cobb and Douglas, these functions were information quantities tailored to economic theories, i.e. they were built to fit economic phenomena. In this paper, we look at these functions from the complementary side: information. We use a recent toolbox built on top of a vast class of distortions coined by Bregman, whose application field rivals metrics' in various subfields of mathematics. This toolbox makes it possible to find the quality of an aggregator (for consumptions, prices, labor, capital, wages, etc.), from the standpoint of the information it carries. We prove a rather striking result. From the informational standpoint, well-known economic aggregators do belong to the \\textit{optimal} set. As common economic assumptions enter the analysis, this large set shrinks, and it e...

  17. Pathophysiological importance of aggregated damaged proteins. (United States)

    Höhn, Annika; Jung, Tobias; Grune, Tilman


    Reactive oxygen species (ROS) are formed continuously in the organism even under physiological conditions. If the level of ROS in cells exceeds the cellular defense capacity, components such as RNA/DNA, lipids, and proteins are damaged and modified, thus affecting the functionality of organelles as well. Proteins are especially prominent targets of various modifications such as oxidation, glycation, or conjugation with products of lipid peroxidation, leading to the alteration of their biological function, nonspecific interactions, and the production of high-molecular-weight protein aggregates. To ensure the maintenance of cellular functions, two proteolytic systems are responsible for the removal of oxidized and modified proteins, especially the proteasome and organelles, mainly the autophagy-lysosomal systems. Furthermore, increased protein oxidation and oxidation-dependent impairment of proteolytic systems lead to an accumulation of oxidized proteins and finally to the formation of nondegradable protein aggregates. Accordingly, the cellular homeostasis cannot be maintained and the cellular metabolism is negatively affected. Here we address the current knowledge of protein aggregation during oxidative stress, aging, and disease.

  18. Disaggregases, molecular chaperones that resolubilize protein aggregates

    Directory of Open Access Journals (Sweden)

    David Z. Mokry


    Full Text Available The process of folding is a seminal event in the life of a protein, as it is essential for proper protein function and therefore cell physiology. Inappropriate folding, or misfolding, can not only lead to loss of function, but also to the formation of protein aggregates, an insoluble association of polypeptides that harm cell physiology, either by themselves or in the process of formation. Several biological processes have evolved to prevent and eliminate the existence of non-functional and amyloidogenic aggregates, as they are associated with several human pathologies. Molecular chaperones and heat shock proteins are specialized in controlling the quality of the proteins in the cell, specifically by aiding proper folding, and dissolution and clearance of already formed protein aggregates. The latter is a function of disaggregases, mainly represented by the ClpB/Hsp104 subfamily of molecular chaperones, that are ubiquitous in all organisms but, surprisingly, have no orthologs in the cytosol of metazoan cells. This review aims to describe the characteristics of disaggregases and to discuss the function of yeast Hsp104, a disaggregase that is also involved in prion propagation and inheritance.

  19. Asbestos Tailings as Aggregates for Asphalt Mixture

    Institute of Scientific and Technical Information of China (English)

    LIU Xinoming; XU Linrong


    To use many asbestos tailings collected in Ya-Lu highway, and to explore the feasibility of using asbestos tailings as aggregates in common asphalt mixtures, and properties of some asphalt mixtures were evaluated as well. X-ray diffraction (XRD), X-ray fluorescent (XRF), and atomic absorption spectrophotometry (AAS) were employed to determine the solid waste content of copper, zinc, lead, and cadmium. Volume properties and pavement performances of AC-25 asphalt mixture with asbestos tailings were also evaluated compared with those with basalt as aggregates.XRD and XRF measurement results infer that asbestos tailing is an excellent road material. Volume properties of AC-25 asphalt mixture with asbestos tailings satisfied the related specifications. No heavy metals and toxic pollution were detected in AAS test and the value of pH test is 8.23, which is help to the adhesion with asphalt in the asphalt concrete. When compared with basalt, high temperature property and the resistance to low temperature cracking of AC-25 asphalt mixture was improved by using asbestos tailings as aggregates. In-service AC-25 asphalt pavement with asbestos tailings also presented excellent performance and British Pendulum Number (BPN) coefficient of surface.

  20. [Pharmaceutical chemistry of general anaesthetics]. (United States)

    Szász, György; Takácsné, Novák Krisztina


    The paper represents the first part of a planned series of reviews about pharmaceutical chemistry of drugs acting on the central nervous system. The authorial aim and editorial concepts are the same were followed in a former series of papers about pharmaceutical chemistry of agents effecting the heart, blood circulation and vegetative nervous system. Consequently, general anaesthetics are discussed in the present paper through the chapters "history, preparation; structure-properties-activity; application; analysis".

  1. 42 CFR 493.839 - Condition: Chemistry. (United States)


    ... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Chemistry. 493.839 Section 493.839... These Tests § 493.839 Condition: Chemistry. The specialty of chemistry includes for the purposes of proficiency testing the subspecialties of routine chemistry, endocrinology, and toxicology....

  2. Peer Mentoring in the General Chemistry and Organic Chemistry Laboratories: The Pinacol Rearrangement--An Exercise in NMR and IR Spectroscopy for General Chemistry and Organic Chemistry Laboratories (United States)

    Arrington, Caleb A.; Hill, Jameica B.; Radfar, Ramin; Whisnant, David M.; Bass, Charles G.


    This article describes a discovery experiment for general chemistry and organic chemistry labs. Although the pinacol rearrangement has been employed in undergraduate organic laboratories before, in this application organic chemistry students act as mentors to students of general chemistry. Students work together using distillation--a new technique…

  3. Effective Chemistry Communication in Informal Environments (United States)

    National Academies Press, 2016


    Chemistry plays a critical role in daily life, impacting areas such as medicine and health, consumer products, energy production, the ecosystem, and many other areas. Communicating about chemistry in informal environments has the potential to raise public interest and understanding of chemistry around the world. However, the chemistry community…

  4. The Brazilian medicinal chemistry from 1998 to 2008 in the Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry [A química medicinal brasileira de 1998 a 2008 nos periódicos Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters e European Journal of Medicinal Chemistry


    Bárbara Vasconcellos da Silva; Renato Saldanha Bastos; Angelo da Cunha Pinto


    In this article we present the Brazilian publications, the research groups involved, the contributions per states and the main diseases studied from 1998 to 2008 in the following periodicals: Journal of Medicinal Chemistry, Bioorganic and Medicinal Chemistry, Bioorganic and Medicinal Chemistry Letters and European Journal of Medicinal Chemistry.

  5. Performance of Uplink Carrier Aggregation in LTE-Advanced Systems

    DEFF Research Database (Denmark)

    Wang, Hua; Rosa, Claudio; Pedersen, Klaus


    Carrier aggregation (CA) has been proposed to aggregate two or more component carriers (CCs) to support a much wider transmission bandwidth for LTE-Advanced systems. With carrier aggregation, it is possible to schedule a user equipment (UE) on multiple component carriers simultaneously. In this p...

  6. Retiring the Short-Run Aggregate Supply Curve (United States)

    Elwood, S. Kirk


    The author argues that the aggregate demand/aggregate supply (AD/AS) model is significantly improved--although certainly not perfected--by trimming it of the short-run aggregate supply (SRAS) curve. Problems with the SRAS curve are shown first for the AD/AS model that casts the AD curve as identifying the equilibrium level of output associated…

  7. [A method for studying intravascular platelet aggregation in vitro]. (United States)

    Ikonnikova, E I; Chernousova, L A; Moshkina, I R


    A simple available method for evaluating intravascular platelet aggregation is proposed. It consists in graphic recording of disaggregation of platelet-rich citrate plasma, which indicates the degree of intravascular aggregation. Intravascular aggregation is notably increased in coronary patients and negligible in normal subjects. The method may be used for the diagnosis of diseases with a high thrombogenic risk.

  8. 21 CFR 864.5700 - Automated platelet aggregation system. (United States)


    ... addition of an aggregating reagent to a platelet-rich plasma. (b) Classification. Class II (performance... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Automated platelet aggregation system. 864.5700... § 864.5700 Automated platelet aggregation system. (a) Identification. An automated platelet...

  9. Evaluation of Colemanite Waste as Aggregate Hot Mix Asphalt Concrete

    Directory of Open Access Journals (Sweden)

    Nihat MOROVA


    Full Text Available In this study usability of waste colemanite which is obtained after cutting block colemanite for giving proper shape to blocks as an aggregate in hot mix asphalt. For this aim asphalt concrete samples were prepared with four different aggregate groups and optimum bitumen content was determined. First of all only limestone was used as an aggregate. After that, only colemanite aggregate was used with same aggregate gradation. Then, the next step of the study, Marshall samples were produced by changing coarse and fine aggregate gradation as limestone and colemanite and Marshall test were conducted. When evaluated the results samples which produced with only limestone aggregate gave the maximum Marshall Stability value. When handled other mixture groups (Only colemanite, colemanite as coarse aggregate-limestone as fine aggregate, colemanite as fine aggregate-limestone as coarse aggregate all groups were verified specification limits. As a result, especially in areas where there is widespread colemanite waste, if transportation costs did not exceed the cost of limestone, colemanite stone waste could be used instead of limestone in asphalt concrete mixtures as fine aggregate

  10. 5 CFR 581.401 - Aggregate disposable earnings. (United States)


    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Aggregate disposable earnings. 581.401 Section 581.401 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS... § 581.401 Aggregate disposable earnings. The “aggregate disposable earnings”, when used in reference...

  11. Syntheses of Sulfo-Glycodendrimers Using Click Chemistry and Their Biological Evaluation

    Directory of Open Access Journals (Sweden)

    Tomohiro Fukuda


    Full Text Available A series of novel glycol-clusters containing sulfonated N-acetyl-D-glucosamine (GlcNAc have been synthesized using click chemistry. Three dendrimers with aromatic dendrons were synthesized using chlorination, azidation and click chemistries. The resulting dendrimers were modified with azide-terminated sulfonated GlcNAc using click chemistry. The sulfonated dendrimers showed affinity for proteins, including the lectin wheat germ agglutinin and amyloid beta peptide (1-42. The dendrimers of G1 and G2 in particular showed the largest affinity for the proteins. The addition of the sulfonated GlcNAc dendrimers of G1 and G2 exhibited an inhibition effect on the aggregation of the amyloid beta peptide, reduced the b-sheet conformation, and led to a reduction in the level of nanofiber formation.

  12. Reinforcement of rubber by fractal aggregates (United States)

    Witten, T. A.; Rubinstein, M.; Colby, R. H.


    Rubber is commonly reinforced with colloidal aggregates of carbon or silica, whose structure has the scale invariance of a fractal object. Reinforced rubbers support large stresses, which often grow faster than linearly with the strain. We argue that under strong elongation the stress arises through lateral compression of the aggregates, driven by the large bulk modulus of the rubber. We derive a power-law relationship between stress and elongation λ when λgg 1. The predicted power p depends on the fractal dimension D and a second structural scaling exponent C. For diffusion-controlled aggregates this power p should lie beween 0.9 and 1.1 ; for reaction-controlled aggregates p should lie between 1.8 and 2.4. For uniaxial compression the analogous powers lie near 4. Practical rubbers filled with fractal aggregates should approach the conditions of validity for these scaling laws. On renforce souvent le caoutchouc avec des agrégats de carbone ou de silice dont la structure a l'invariance par dilatation d'un objet fractal. Les caoutchoucs ainsi renforcés supportent de grandes contraintes qui croissent souvent plus vite que l'élongation. Nous prétendons que, sous élongation forte, cette contrainte apparaît à cause d'une compression latérale des agrégats induite par le module volumique important du caoutchouc. Nous établissons une loi de puissance reliant la contrainte et l'élongation λ quand λgg 1. Cet exposant p dépend de la dimension fractale D et d'un deuxième exposant structural C. Pour des agrégats dont la cinétique de formation est limitée par diffusion, p vaut entre 0,9 et 1,1. Si la cinétique est limitée par le soudage local des particules, p vaut entre 1,8 et 2,4. Sous compression uniaxiale, les puissances homologues valent environ 4. Des caoutchoucs pratiques chargés de tels agrégats devraient approcher des conditions où ces lois d'échelle sont valables.

  13. Analytical Chemistry as an Information Science. (United States)


    AD-AIOS 433 WASHINGTON UNIV SEATTLE LAB OR CHEMOMETRICS /7/ ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE Ul NAb7/ .JUN 81 B A KO WALSKI NUUUIA 75C...AN INFORMATION SCIENCE by B. R. Kowalski Prepared for Publication in Trends in Analytical Chemistry University of Washington Department of Chemistry...S. TYPE OF REPORT & PERIOD COVERED Technical Report - Interim ANALYTICAL CHEMISTRY AS AN INFORMATION SCIENCE , 2/1981 - 6/1981 6. PERFORMING ORG

  14. Effects of maximum aggregate size on UPV of brick aggregate concrete. (United States)

    Mohammed, Tarek Uddin; Mahmood, Aziz Hasan


    Investigation was carried out to study the effects of maximum aggregate size (MAS) (12.5mm, 19.0mm, 25.0mm, 37.5mm, and 50.0mm) on ultrasonic pulse velocity (UPV) of concrete. For investigation, first class bricks were collected and broken to make coarse aggregate. The aggregates were tested for specific gravity, absorption capacity, unit weight, and abrasion resistance. Cylindrical concrete specimens were made with different sand to aggregate volume ratio (s/a) (0.40 and 0.45), W/C ratio (0.45, 0.50, and 0.55), and cement content (375kg/m(3) and 400kg/m(3)). The specimens were tested for compressive strength and Young's modulus. UPV through wet specimen was measured using Portable Ultrasonic Non-destructive Digital Indicating Tester (PUNDIT). Results indicate that the pulse velocity through concrete increases with an increase in MAS. Relationships between UPV and compressive strength; and UPV and Young's modulus of concrete are proposed for different maximum sizes of brick aggregate.

  15. Optical spectroscopy of a highly fluorescent aggregate of bacteriochlorophyll c (United States)

    Causgrove, T. P.; Cheng, P.; Brune, D. C.; Blankenship, R. E.


    Bacteriochlorophyll (BChl) c and a similar model compound, Mg-methyl bacteriopheophorbide d, form several types of aggregates in nonpolar solvents. One of these aggregates is highly fluorescent, with a quantum yield higher than that of the monomer. This aggregate is also unusual in that it shows a rise time in its fluorescence emission decay at certain wavelengths, which is ascribed to a change in conformation of the aggregate. An analysis of fluorescence depolarization data is consistent with either a linear aggregate of four or five monomers or preferably a cyclic arrangement of three dimers.

  16. Drug governs the morphology of polyalkylated block copolymer aggregates. (United States)

    Le Dévédec, F; Her, S; Vogtt, K; Won, A; Li, X; Beaucage, G; Yip, C; Allen, C


    Polyalkylated copolymers based on mPEG-b-(AGE-C6,12 or 18)25 have been used to formulate clinically relevant concentrations of doxorubicin (DOX) and the impact of drug incorporation on copolymer aggregation behaviour was examined. The copolymer aggregates were analyzed by various microscopy techniques (TEM, cryo-TEM and AFM) and scattering methods (SANS, DLS). In the absence of the drug, the copolymers formed largely non-spherical aggregates (i.e. cylinders, vesicles). Drug incorporation during copolymer aggregate formation directed the formation of only spherical aggregates. As well, the nature of the core-forming block was found to influence drug release and cytotoxicity of the formulations.

  17. Assays for studying nucleated aggregation of polyglutamine proteins (United States)

    Jayaraman, Murali; Thakur, Ashwani K.; Kar, Karunakar; Kodali, Ravindra; Wetzel, Ronald


    The aggregation of polyglutamine containing protein sequences is implicated in a family of familial neurodegenerative diseases, the expanded CAG repeat diseases. While the cellular aggregation process undoubtedly depends on the flux and local environment of these proteins, their intrinsic physical properties and folding/aggregation propensities must also contribute to their cellular behavior. Here we describe a series of methods for determining mechanistic details of the spontaneous aggregation of polyQ-containing sequences, including the identification and structural examination of aggregation intermediates. PMID:21232603

  18. Procedure for Validation of Aggregators Providing Demand Response

    DEFF Research Database (Denmark)

    Bondy, Daniel Esteban Morales; Gehrke, Oliver; Thavlov, Anders;


    As aggregators become viable sources of ancillary services, they will be required to undergo a validation process similar to the prequalification process of traditional generators. Aggregators are fundamentally different from traditional generators in that they are formed of a large quantity...... of small heterogeneous resources that are geographically distributed. Therefore, a new test procedure must be designed for the aggregator validation. This work proposes such a procedure and exemplifies is with a study case. The validation of aggregators is essential if aggregators are to be integrated...

  19. Frost resistance of concrete with crushed brick as aggregate

    Directory of Open Access Journals (Sweden)

    Janković Ksenija


    Full Text Available The investigation included concrete made by using recycled brick as aggregate. Experimental work included several types of concrete made with the same cement content (385 kg/m3, and same consistency (slump about 1 cm. Recycled brick and combination of natural river aggregate and recycled brick were used as aggregates. The influence of percentage and grain size of crushed brick aggregate on concrete compressive strength, water absorption and frost resistance were observed. On the basis of the results obtained during experimental research, a general conclusion can be drawn that the application of recycled concrete as aggregate can lead to new composites with satisfactory physical-mechanical properties.

  20. Publicising chemistry in a multicultural society through chemistry outreach

    Directory of Open Access Journals (Sweden)

    Joyce D. Sewry


    Full Text Available Given the emphasis in Higher Education on community engagement in South Africa and the importance of international collaboration, we discuss a joint approach to chemistry outreach in two countries on two continents with widely differing target school audiences. We describe the history of the partnership between the chemistry departments at Rhodes University and the University of Bristol and provide an outline of the chemistry content of their outreach initiatives, the modes of delivery, the advantages to both departments and their students for involvement in various levels of outreach, the challenges they still face and additional opportunities that such work facilitated. The lecture demonstration ‘A Pollutant’s Tale’ was presented to thousands of learners all over the world, including learners at resource-deprived schools in South Africa. Challenges to extend outreach activities in South Africa include long travelling distances, as well as a lack of facilities (such as school halls and electricity at schools. Outreach activities not only impacted on the target audience of young learners, they also impacted upon the postgraduate and other chemistry students taking part in these initiatives. This collaboration strengthened both institutions and their outreach work and may also lead to chemistry research collaborations between the academics involved.