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Sample records for complex aggregation mechanism

  1. NMR of α-synuclein–polyamine complexes elucidates the mechanism and kinetics of induced aggregation

    Science.gov (United States)

    Fernández, Claudio O; Hoyer, Wolfgang; Zweckstetter, Markus; Jares-Erijman, Elizabeth A; Subramaniam, Vinod; Griesinger, Christian; Jovin, Thomas M

    2004-01-01

    The aggregation of α-synuclein is characteristic of Parkinson's disease (PD) and other neurodegenerative synucleinopathies. The 140-aa protein is natively unstructured; thus, ligands binding to the monomeric form are of therapeutic interest. Biogenic polyamines promote the aggregation of α-synuclein and may constitute endogenous agents modulating the pathogenesis of PD. We characterized the complexes of natural and synthetic polyamines with α-synuclein by NMR and assigned the binding site to C-terminal residues 109–140. Dissociation constants were derived from chemical shift perturbations. Greater polyamine charge (+2 → +5) correlated with increased affinity and enhancement of fibrillation, for which we propose a simple kinetic mechanism involving a dimeric nucleation center. According to the analysis, polyamines increase the extent of nucleation by ∼104 and the rate of monomer addition ∼40-fold. Significant secondary structure is not induced in monomeric α-synuclein by polyamines at 15°C. Instead, NMR reveals changes in a region (aa 22–93) far removed from the polyamine binding site and presumed to adopt the β-sheet conformation characteristic of fibrillar α-synuclein. We conclude that the C-terminal domain acts as a regulator of α-synuclein aggregation. PMID:15103328

  2. NMR of alpha-synuclein-polyamine complexes elucidates the mechanism and kinetics of induced aggregation

    NARCIS (Netherlands)

    Fernández, Claudio O.; Hoyer, Wolfgang; Zweckstetter, Markus; Jares-Erijman, Elizabeth A.; Subramaniam, Vinod; Griesinger, Christian; Jovin, Thomas M.

    2004-01-01

    The aggregation of α-synuclein is characteristic of Parkinson's disease (PD) and other neurodegenerative synucleinopathies. The 140-aa protein is natively unstructured; thus, ligands binding to the monomeric form are of therapeutic interest. Biogenic polyamines promote the aggregation of α-synuclein

  3. Complexes and aggregates of chlorophylls

    NARCIS (Netherlands)

    Kooyman, R.P.H.

    1980-01-01

    Chlorophyll (Chl) molecules can form complexes in two important ways: by ligation at the magnesium atom and/or by hydrogen bonding at the keto- carbonyl group. Under certain conditions these processes may give rise to dimer formation. This thesis describes some properties of complexes and dimers of

  4. Aggregate complexes of HIV-1 induced by multimeric antibodies.

    Science.gov (United States)

    Stieh, Daniel J; King, Deborah F; Klein, Katja; Liu, Pinghuang; Shen, Xiaoying; Hwang, Kwan Ki; Ferrari, Guido; Montefiori, David C; Haynes, Barton; Pitisuttithum, Punnee; Kaewkungwal, Jaranit; Nitayaphan, Sorachai; Rerks-Ngarm, Supachai; Michael, Nelson L; Robb, Merlin L; Kim, Jerome H; Denny, Thomas N; Tomaras, Georgia D; Shattock, Robin J

    2014-10-02

    Antibody mediated viral aggregation may impede viral transfer across mucosal surfaces by hindering viral movement in mucus, preventing transcytosis, or reducing inter-cellular penetration of epithelia thereby limiting access to susceptible mucosal CD4 T cells and dendritic cells. These functions may work together to provide effective immune exclusion of virus from mucosal tissue; however little is known about the antibody characteristics required to induce HIV aggregation. Such knowledge may be critical to the design of successful immunization strategies to facilitate viral immune exclusion at the mucosal portals of entry. The potential of neutralizing and non-neutralizing IgG and IgA monoclonals (mAbs) to induce HIV-1 aggregation was assessed by Dynamic light scattering (DLS). Although neutralizing and non-neutralizing IgG mAbs and polyclonal HIV-Ig efficiently aggregated soluble Env trimers, they were not capable of forming viral aggregates. In contrast, dimeric (but not monomeric) IgA mAbs induced stable viral aggregate populations that could be separated from uncomplexed virions. Epitope specificity influenced both the degree of aggregation and formation of higher order complexes by dIgA. IgA purified from serum of uninfected RV144 vaccine trial responders were able to efficiently opsonize viral particles in the absence of significant aggregation, reflective of monomeric IgA. These results collectively demonstrate that dIgA is capable of forming stable viral aggregates providing a plausible basis for testing the effectiveness of aggregation as a potential protection mechanism at the mucosal portals of viral entry.

  5. The Mechanisms of Aberrant Protein Aggregation

    Science.gov (United States)

    Cohen, Samuel; Vendruscolo, Michele; Dobson, Chris; Knowles, Tuomas

    2012-02-01

    We discuss the development of a kinetic theory for understanding the aberrant loss of solubility of proteins. The failure to maintain protein solubility results often in the assembly of organized linear structures, commonly known as amyloid fibrils, the formation of which is associated with over 50 clinical disorders including Alzheimer's and Parkinson's diseases. A true microscopic understanding of the mechanisms that drive these aggregation processes has proved difficult to achieve. To address this challenge, we apply the methodologies of chemical kinetics to the biomolecular self-assembly pathways related to protein aggregation. We discuss the relevant master equation and analytical approaches to studying it. In particular, we derive the underlying rate laws in closed-form using a self-consistent solution scheme; the solutions that we obtain reveal scaling behaviors that are very generally present in systems of growing linear aggregates, and, moreover, provide a general route through which to relate experimental measurements to mechanistic information. We conclude by outlining a study of the aggregation of the Alzheimer's amyloid-beta peptide. The study identifies the dominant microscopic mechanism of aggregation and reveals previously unidentified therapeutic strategies.

  6. Studies on the mechanisms of activation of potassium efflux and receptor-cytoskeleton association by aggregated immunoglobulin E-receptor complexes on rat basophilic leukemia cells

    International Nuclear Information System (INIS)

    Labrecque, G.F.

    1989-01-01

    Evidence for the activation of an outwardly-directed K + permeability pathway was obtained by studying changes in plasma membrane potential that result from the aggregation of immunoglobulin E-complexes on rat basophilic leukemia cells. With the potential-sensitive dye, bisoxonol, we observe that activation by multivalent antigen causes membrane depolarization that is followed by a return towards the resting potential that we term repolarization. The depolarization response may reflect a Ca 2+ influx pathway, and it exhibits the same antigen-dose dependence and temperature dependence as the degranulation response. The polarization phase of the membrane potential response is selectively inhibited by the K + channel blockers quinidine and Ba 2+ in parallel with their inhibition of the degranulation response, suggesting an important role for a K + efflux pathway in antigen-stimulated degranulation. 86 Rb + efflux measurements were used to characterize the K + permeability pathways responsible for the repolarization response

  7. Macrophage triggering by aggregated immunoglobulins. II. Comparison of IgE and IgG aggregates or immune complexes.

    Science.gov (United States)

    Pestel, J; Dessaint, J P; Joseph, M; Bazin, H; Capron, A

    1984-01-01

    Macrophages incubated with complexed or aggregated IgE released beta-glucuronidase (beta-G) within 30 min. In contrast in the presence of aggregated or complexed IgG, macrophages liberated equivalent amount of beta-G only after 6 h incubation. In addition the rapid macrophage stimulation induced by aggregated IgE was also followed by a faster 3H-glucosamine incorporation when compared to the delayed activation caused by aggregated IgG. However, macrophages stimulated either by IgG or by IgE oligomers produced the same percentage of plasminogen activator at 24 h. In contrast, while the interaction between macrophages and aggregated IgE was only followed by a peak of cyclic GMP and a beta-G release during the first 30 min of incubation, the interaction between macrophages and IgG oligomers was accompanied by a simultaneous increase of cyclic GMP and AMP nucleotides and by an absence of beta-G exocytosis. Moreover, the beta-G release induced by aggregated IgE was increased when macrophages were preincubated with aggregated IgG. This additive effect was not observed in the reverse situation. Finally macrophages activated by IgG oligomers were demonstrated to exert a cytotoxic effect on tumour cells and to kill schistosomula in the presence of a low level of complement. Taken together these results underline the peculiar ability of aggregated or complexed IgE to trigger rapidly the macrophage activation compared to aggregated IgG and can explain the important role of complexed IgE in some macrophage dependent cytotoxicity mechanisms (i.e. in parasitic diseases). PMID:6088135

  8. Framework for Modelling Multiple Input Complex Aggregations for Interactive Installations

    DEFF Research Database (Denmark)

    Padfield, Nicolas; Andreasen, Troels

    2012-01-01

    on fuzzy logic and provides a method for variably balancing interaction and user input with the intention of the artist or director. An experimental design is presented, demonstrating an intuitive interface for parametric modelling of a complex aggregation function. The aggregation function unifies...

  9. Mechanical Dissociation of Platelet Aggregates in Blood Stream

    Science.gov (United States)

    Hoore, Masoud; Fedosov, Dmitry A.; Gompper, Gerhard; Complex; Biological Fluids Group Team

    2017-11-01

    von Willebrand factor (VWF) and platelet aggregation is a key phenomenon in blood clotting. These aggregates form critically in high shear rates and dissolve reversibly in low shear rates. The emergence of a critical shear rate, beyond which aggregates form and below which they dissolve, has an interesting impact on aggregation in blood flow. As red blood cells (RBCs) migrate to the center of the vessel in blood flow, a RBC free layer (RBC-FL) is left close to the walls into which the platelets and VWFs are pushed back from the bulk flow. This margination process provides maximal VWF-platelet aggregation probability in the RBC-FL. Using mesoscale hydrodynamic simulations of aggregate dynamics in blood flow, it is shown that the aggregates form and grow in RBC-FL wherein shear rate is high for VWF stretching. By growing, the aggregates penetrate to the bulk flow and get under order of magnitude lower shear rates. Consequently, they dissolve and get back into the RBC-FL. This mechanical limitation for aggregates prohibits undesired thrombosis and vessel blockage by aggregates, while letting the VWFs and platelets to aggregate close to the walls where they are actually needed. The support by the DFG Research Unit FOR 1543 SHENC and CPU time Grant by the Julich Supercomputing Center are acknowledged.

  10. Mechanical Properties of Steel Fiber Reinforced all Lightweight Aggregate Concrete

    Science.gov (United States)

    Yang, Y. M.; Li, J. Y.; Zhen, Y.; Nie, Y. N.; Dong, W. L.

    2018-05-01

    In order to study the basic mechanical properties and failure characteristics of all lightweight aggregate concrete with different volume of steel fiber (0%, 1%, 2%), shale ceramsite is used as light coarse aggregate. The shale sand is made of light fine aggregate and mixed with different volume of steel fiber, and the mix proportion design of all lightweight aggregate concrete is carried out. The cubic compressive strength, axial compressive strength, flexural strength, splitting strength and modulus of elasticity of steel fiber all lightweight aggregate concrete were studied. Test results show that the incorporation of steel fiber can restrict the cracking of concrete, improve crack resistance; at the same time, it shows good plastic deformation ability and failure morphology. It lays a theoretical foundation for further research on the application of all lightweight aggregate concrete in structural systems.

  11. Mechanical properties of concrete containing recycled concrete aggregate (RCA) and ceramic waste as coarse aggregate replacement

    Science.gov (United States)

    Khalid, Faisal Sheikh; Azmi, Nurul Bazilah; Sumandi, Khairul Azwa Syafiq Mohd; Mazenan, Puteri Natasya

    2017-10-01

    Many construction and development activities today consume large amounts of concrete. The amount of construction waste is also increasing because of the demolition process. Much of this waste can be recycled to produce new products and increase the sustainability of construction projects. As recyclable construction wastes, concrete and ceramic can replace the natural aggregate in concrete because of their hard and strong physical properties. This research used 25%, 35%, and 45% recycled concrete aggregate (RCA) and ceramic waste as coarse aggregate in producing concrete. Several tests, such as concrete cube compression and splitting tensile tests, were also performed to determine and compare the mechanical properties of the recycled concrete with those of the normal concrete that contains 100% natural aggregate. The concrete containing 35% RCA and 35% ceramic waste showed the best properties compared with the normal concrete.

  12. Arbuscular mycorrhizal fungi make a complex contribution to soil aggregation

    Science.gov (United States)

    McGee, Peter; Daynes, Cathal; Damien, Field

    2013-04-01

    Soil aggregates contain solid and fluid components. Aggregates develop as a consequence of the organic materials, plants and hyphae of arbuscular mycorrhizal (AM) fungi acting on the solid phase. Various correlative studies indicate hyphae of AM fungi enmesh soil particles, but their impact on the pore space is poorly understood. Hyphae may penetrate between particles, remove water from interstitial spaces, and otherwise re-arrange the solid phase. Thus we might predict that AM fungi also change the pore architecture of aggregates. Direct observations of pore architecture of soil, such as by computer-aided tomography (CT), is difficult. The refractive natures of solid and biological material are similar. The plant-available water in various treatments allows us to infer changes in pore architecture. Our experimental studies indicate AM fungi have a complex role in the formation and development of aggregates. Soils formed from compost and coarse subsoil materials were planted with mycorrhizal or non-mycorrhizal seedlings and the resultant soils compared after 6 or 14 months in separate experiments. As well as enmeshing particles, AM fungi were associated with the development of a complex pore space and greater pore volume. Even though AM fungi add organic matter to soil, the modification of pore space is not correlated with organic carbon. In a separate study, we visualised hyphae of AM fungi in a coarse material using CT. In this study, hyphae appeared to grow close to the surfaces of particles with limited ramification across the pore spaces. Hyphae of AM fungi appear to utilise soil moisture for their growth and development of mycelium. The strong correlation between moisture and hyphae has profound implications for soil aggregation, plant utilisation of soil water, and the distribution of water as water availability declines.

  13. Dynamics of Symmetric Conserved Mass Aggregation Model on Complex Networks

    Institute of Scientific and Technical Information of China (English)

    HUA Da-Yin

    2009-01-01

    We investigate the dynamical behaviour of the aggregation process in the symmetric conserved mass aggregation model under three different topological structures. The dispersion σ(t, L) = (∑i(mi - ρ0)2/L)1/2 is defined to describe the dynamical behaviour where ρ0 is the density of particle and mi is the particle number on a site. It is found numerically that for a regular lattice and a scale-free network, σ(t, L) follows a power-law scaling σ(t, L) ~ tδ1 and σ(t, L) ~ tδ4 from a random initial condition to the stationary states, respectively. However, for a small-world network, there are two power-law scaling regimes, σ(t, L) ~ tδ2 when t<T and a(t, L) ~ tδ3 when tT. Moreover, it is found numerically that δ2 is near to δ1 for small rewiring probability q, and δ3 hardly changes with varying q and it is almost the same as δ4. We speculate that the aggregation of the connection degree accelerates the mass aggregation in the initial relaxation stage and the existence of the long-distance interactions in the complex networks results in the acceleration of the mass aggregation when tT for the small-world networks. We also show that the relaxation time T follows a power-law scaling τ Lz and σ(t, L) in the stationary state follows a power-law σs(L) ~ Lσ for three different structures.

  14. Silver nanoparticle aggregation not triggered by an ionic strength mechanism

    International Nuclear Information System (INIS)

    Botasini, Santiago; Méndez, Eduardo

    2013-01-01

    The synthesis of stable colloidal solutions of silver nanoparticles is a major goal in the industry to control their fate in aqueous solutions. The present work studies 10–20-nm silver nanoparticle aggregation triggered by the presence of chloride ions. The aggregation process was followed by UV–Vis–NIR spectroscopy and transmission electron microscopy. We found that the mechanism involved differs from the classic explanation of nanoparticle aggregation triggered by an increase in the ionic strength. Moreover, our results give evidence that even when nanoparticles are resistant to an increment of the total amount of ions, the formation of insoluble salts in the vicinity of the nanoparticle is enough to induce the aggregation. The presence of silver chloride around the silver nanoparticles was documented by an X-ray diffraction pattern and electrochemical methods because chloride anions are ubiquitous in real media; this alternative process jeopardized the development of many applications with silver nanoparticles that depend on the use of stable colloids.

  15. Silver nanoparticle aggregation not triggered by an ionic strength mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Botasini, Santiago; Mendez, Eduardo, E-mail: emendez@fcien.edu.uy [Instituto de Quimica Biologica, Universidad de la Republica, Laboratorio de Biomateriales (Uruguay)

    2013-04-15

    The synthesis of stable colloidal solutions of silver nanoparticles is a major goal in the industry to control their fate in aqueous solutions. The present work studies 10-20-nm silver nanoparticle aggregation triggered by the presence of chloride ions. The aggregation process was followed by UV-Vis-NIR spectroscopy and transmission electron microscopy. We found that the mechanism involved differs from the classic explanation of nanoparticle aggregation triggered by an increase in the ionic strength. Moreover, our results give evidence that even when nanoparticles are resistant to an increment of the total amount of ions, the formation of insoluble salts in the vicinity of the nanoparticle is enough to induce the aggregation. The presence of silver chloride around the silver nanoparticles was documented by an X-ray diffraction pattern and electrochemical methods because chloride anions are ubiquitous in real media; this alternative process jeopardized the development of many applications with silver nanoparticles that depend on the use of stable colloids.

  16. Mechanism by which DHA inhibits the aggregation of KLVFFA peptides: A molecular dynamics study

    Science.gov (United States)

    Zhou, Hong; Liu, Shengtang; Shao, Qiwen; Ma, Dongfang; Yang, Zaixing; Zhou, Ruhong

    2018-03-01

    Docosahexaenoic acid (DHA) is one of the omega-3 polyunsaturated fatty acids, which has shown promising applications in lowering Aβ peptide neurotoxicity in vitro by preventing aggregation of Aβ peptides and relieving accumulation of Aβ fibrils. Unfortunately, the underlying molecular mechanisms of how DHA interferes with the aggregation of Aβ peptides remain largely enigmatic. Herein, aggregation behaviors of amyloid-β(Aβ)16-21 peptides (KLVFFA) with or without the presence of a DHA molecule were comparatively studied using extensive all-atom molecular dynamics simulations. We found that DHA could effectively suppress the aggregation of KLVFFA peptides by redirecting peptides to unstructured oligomers. The highly hydrophobic and flexible nature of DHA made it randomly but tightly entangled with Leu-17, Phe-19, and Phe-20 residues to form unstructured but stable complexes. These lower-ordered unstructured oligomers could eventually pass through energy barriers to form ordered β-sheet structures through large conformational fluctuations. This study depicts a microscopic picture for understanding the role and mechanism of DHA in inhibition of aggregation of Aβ peptides, which is generally believed as one of the important pathogenic mechanisms of Alzheimer's disease.

  17. Leaching and mechanical behaviour of concrete manufactured with recycled aggregates.

    Science.gov (United States)

    Sani, D; Moriconi, G; Fava, G; Corinaldesi, V

    2005-01-01

    The reuse of debris from building demolition is of increasing public interest because it decreases the volume of material to be disposed to landfill. This research is focused on the evaluation of the possibility of reusing recycled aggregate from construction or demolition waste (C&D) as a substitute for natural aggregate in concrete production. In most applications, cement based materials are used for building construction due to their cost effectiveness and performance; however their impact on the surrounding environment should be monitored. The interstitial pore fluid in contact with hydrated cementitious materials is characterized by persistent alkaline pH values buffered by the presence of hydrate calcium silicate, portlandite and alkaline ions. An experimental plan was carried out to investigate concrete structural properties in relation to alkali release in aqueous solution. Results indicate that the presence of recycled aggregate increases the leachability of unreactive ions (Na, K, Cl), while for calcium the substitution resulted in a lower net leaching. In spite of the lower mechanical resistance (40% less), such a waste concrete may be suggested as more environmentally sustainable.

  18. Statistical mechanics of complex networks

    CERN Document Server

    Rubi, Miguel; Diaz-Guilera, Albert

    2003-01-01

    Networks can provide a useful model and graphic image useful for the description of a wide variety of web-like structures in the physical and man-made realms, e.g. protein networks, food webs and the Internet. The contributions gathered in the present volume provide both an introduction to, and an overview of, the multifaceted phenomenology of complex networks. Statistical Mechanics of Complex Networks also provides a state-of-the-art picture of current theoretical methods and approaches.

  19. Polycomb complexes and silencing mechanisms

    DEFF Research Database (Denmark)

    Lund, Anders H; van Lohuizen, Maarten

    2004-01-01

    Advances in the past couple of years have brought important new knowledge on the mechanisms by which Polycomb-group proteins regulate gene expression and on the consequences of their actions. The discovery of histone methylation imprints specific for Polycomb and Trithorax complexes has provided...... mechanistic insight on how this ancient epigenetic memory system acts to repress and indicates that it may share mechanistic aspects with other silencing and genome-protective processes, such as RNA interference....

  20. Environmentally-relevant concentrations of Al(III) and Fe(III) cations induce aggregation of free DNA by complexation with phosphate group.

    Science.gov (United States)

    Qin, Chao; Kang, Fuxing; Zhang, Wei; Shou, Weijun; Hu, Xiaojie; Gao, Yanzheng

    2017-10-15

    Environmental persistence of free DNA is influenced by its complexation with other chemical species and its aggregation mechanisms. However, it is not well-known how naturally-abundant metal ions, e.g., Al(III) and Fe(III), influence DNA aggregation. This study investigated aggregation behaviors of model DNA from salmon testes as influenced by metal cations, and elucidated the predominant mechanism responsible for DNA aggregation. Compared to monovalent (K + and Na + ) and divalent (Ca 2+ and Mg 2+ ) cations, Al(III) and Fe(III) species in aqueous solution caused rapid DNA aggregations. The maximal DNA aggregation occurred at 0.05 mmol/L Al(III) or 0.075 mmol/L Fe(III), respectively. A combination of atomic force microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy revealed that Al(III) and Fe(III) complexed with negatively charged phosphate groups to neutralize DNA charges, resulting in decreased electrostatic repulsion and subsequent DNA aggregation. Zeta potential measurements and molecular computation further support this mechanism. Furthermore, DNA aggregation was enhanced at higher temperature and near neutral pH. Therefore, DNA aggregation is collectively determined by many environmental factors such as ion species, temperature, and solution pH. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Mechanisms and rates of bacterial colonization of sinking aggregates

    DEFF Research Database (Denmark)

    Kiørboe, Thomas; Grossart, H.P.; Ploug, H.

    2002-01-01

    Quantifying the rate at which bacteria colonize aggregates is a key to understanding microbial turnover of aggregates. We used encounter models based on random walk and advection-diffusion considerations to predict colonization rates from the bacteria's motility patterns (swimming speed, tumbling...

  2. Mechanical properties of recycled concrete with demolished waste concrete aggregate and clay brick aggregate

    Science.gov (United States)

    Zheng, Chaocan; Lou, Cong; Du, Geng; Li, Xiaozhen; Liu, Zhiwu; Li, Liqin

    2018-06-01

    This paper presents an experimental investigation on the effect of the replacement of natural coarse aggregate (NCA) with either recycled concrete aggregate (RCA) or recycled clay brick aggregate (RBA) on the compressive strengths of the hardened concrete. Two grades (C25 and C50) of concrete were investigated, which were achieved by using different water-to-cement ratios. In each grade concrete five different replacement rates, 0%, 25%, 50%, 75% and 100% were considered. In order to improve the performance of the recycled aggregates in the concrete mixes, the RCA and RBA were carefully sieved by using the optimal degradation. In this way the largest reduction in the 28-day compressive strength was found to be only 7.2% and 9.6% for C25 and C50 recycled concrete when the NCA was replaced 100% by RCA, and 11% and 13% for C25 and C50 recycled concrete when the NCA was replaced 100% by RBA. In general, the concrete with RCA has better performance than the concrete with RBA. The comparison of the present experimental results with those reported in literature for hardened concrete with either RCA or RBA demonstrates the effectiveness in improving the compressive strength by using the optimal gradation of recycled aggregates.

  3. Study on Mechanical Properties of Concrete Using Plastic Waste as an Aggregate

    Science.gov (United States)

    Jaivignesh, B.; Sofi, A.

    2017-07-01

    Disposal of large quantity of plastic causes land, water and air pollution etc.., so a study is conducted to recycle the plastic in concrete. This work investigates about the replacement of natural aggregate with non-biodegradable plastic aggregate made up of mixed plastic waste in concrete. Several tests are conducted such as compressive strength of cube, split tensile strength of cylinder, flexural strength test of prism to identify the properties and behavior of concrete using plastic aggregate. Replacement of fine aggregate weight by 10%, 15%, 20% with Plastic fine (PF) aggregate and for each replacement of fine aggregate 15%, 20%, 25% of coarse aggregate replacement also conducted with Plastic Coarse(PC) aggregate. In literatures reported that the addition of plastic aggregate in concrete causes the reduction of strength in concrete due to poor bonding between concrete and plastic aggregate, so addition of 0.3% of steel fiber by weight of cement in concrete is done to improve the concrete strength. Totally 60 cubes, 60 cylinders and 40 prisms are casted to identify the compressive strength, split tensile strength and flexural strength respectively. Casted specimens are tested at 7 and 28 days. The identified results from concrete using plastic aggregate are compared with conventional concrete. Result shows that reduction in mechanical properties of plastic aggregate added concrete. This reduction in strength is mainly due to poor bond strength between cement and plastic aggregate.

  4. Reaction mechanisms of metal complexes

    CERN Document Server

    Hay, R W

    2000-01-01

    This text provides a general background as a course module in the area of inorganic reaction mechanisms, suitable for advanced undergraduate and postgraduate study and/or research. The topic has important research applications in the metallurgical industry and is of interest in the science of biochemistry, biology, organic, inorganic and bioinorganic chemistry. In addition to coverage of substitution reactions in four-, five- and six-coordinate complexes, the book contains further chapters devoted to isomerization and racemization reactions, to the general field of redox reactions, and to the reactions of coordinated ligands. It is relevant in other fields such as organic, bioinorganic and biological chemistry, providing a bridge to organic reaction mechanisms. The book also contains a chapter on the kinetic background to the subject with many illustrative examples which should prove useful to those beginning research. Provides a general background as a course module in the area of inorganic reaction mechanis...

  5. [Inhibitory mechanism of ifenprodil tartrate on rabbit platelet aggregation].

    Science.gov (United States)

    Irino, O; Saitoh, K; Hayashi, T; Ohkubo, K

    1985-05-01

    The effects of dl-erythro-4-benzyl-alpha-(4-hydroxyphenyl)-beta-methyl-l-piperidine-eth anol tartrate (ifenprodil tartrate) on rabbit platelet aggregation in vitro and ex vivo were studied. Ifenprodil tartrate inhibited platelet aggregation in vitro induced by ADP, collagen and epinephrine. It also inhibited 5-hydroxytryptamine (5-HT) uptake into platelets and 5-HT release from platelets. Since these inhibitory effects of ifenprodil tartrate on the functions of rabbit platelets were similar to the effects of imipramine, the effects of ifenprodil tartrate may be due to the stabilizing action of ifenprodil tartrate on the platelet membrane. The platelet aggregation by ADP was significantly inhibited in rabbits after oral administration of ifenprodil tartrate, the maximal plasma level of ifenprodil being reached at 20 ng/ml ex vivo, while the maximal level was only 1/40 of the minimal concentration of ifenprodil tartrate necessary to inhibit platelet aggregation in vitro. These results indicate that factors other than ifenprodil tartrate acting directly on the platelets (e.g., PGI2 which is an endogenous inhibitor of platelet aggregation) are involved in inducing the inhibitory effects of ifenprodil tartrate on platelet aggregation ex vivo. The effects of ifenprodil tartrate on both PGI2 release from the aorta and the inhibitory effects of PGI2 on platelet aggregation in vitro were investigated: PGI2 was found to intensify the inhibitory effects of ifenprodil tartrate on platelet aggregation in vitro, but there was little effect, if any, on PGI2 release. Therefore, it is considered that the ex vivo effects of ifenprodil tartrate might be due to its interaction with endogenous PGI2 in the blood.

  6. Measurement of net electric charge and dipole moment of dust aggregates in a complex plasma.

    Science.gov (United States)

    Yousefi, Razieh; Davis, Allen B; Carmona-Reyes, Jorge; Matthews, Lorin S; Hyde, Truell W

    2014-09-01

    Understanding the agglomeration of dust particles in complex plasmas requires knowledge of basic properties such as the net electrostatic charge and dipole moment of the dust. In this study, dust aggregates are formed from gold-coated mono-disperse spherical melamine-formaldehyde monomers in a radiofrequency (rf) argon discharge plasma. The behavior of observed dust aggregates is analyzed both by studying the particle trajectories and by employing computer models examining three-dimensional structures of aggregates and their interactions and rotations as induced by torques arising from their dipole moments. These allow the basic characteristics of the dust aggregates, such as the electrostatic charge and dipole moment, as well as the external electric field, to be determined. It is shown that the experimental results support the predicted values from computer models for aggregates in these environments.

  7. Scalable privacy-preserving big data aggregation mechanism

    Directory of Open Access Journals (Sweden)

    Dapeng Wu

    2016-08-01

    Full Text Available As the massive sensor data generated by large-scale Wireless Sensor Networks (WSNs recently become an indispensable part of ‘Big Data’, the collection, storage, transmission and analysis of the big sensor data attract considerable attention from researchers. Targeting the privacy requirements of large-scale WSNs and focusing on the energy-efficient collection of big sensor data, a Scalable Privacy-preserving Big Data Aggregation (Sca-PBDA method is proposed in this paper. Firstly, according to the pre-established gradient topology structure, sensor nodes in the network are divided into clusters. Secondly, sensor data is modified by each node according to the privacy-preserving configuration message received from the sink. Subsequently, intra- and inter-cluster data aggregation is employed during the big sensor data reporting phase to reduce energy consumption. Lastly, aggregated results are recovered by the sink to complete the privacy-preserving big data aggregation. Simulation results validate the efficacy and scalability of Sca-PBDA and show that the big sensor data generated by large-scale WSNs is efficiently aggregated to reduce network resource consumption and the sensor data privacy is effectively protected to meet the ever-growing application requirements.

  8. Marine snow derived from abandoned larvacean houses: Sinking rates, particle content and mechanisms of aggregate formation

    DEFF Research Database (Denmark)

    Hansen, J.L.S.; Kiørboe, Thomas; Alldredge, A.L.

    1996-01-01

    The dynamics and formation mechanisms of marine snow aggregates from abandoned larvacean houses were examined by laboratory experiments and field sampling during a spring diatom bloom in a shallow fjord on the west coast of the USA. Intact aggregates were sampled both from sediment traps and dire......The dynamics and formation mechanisms of marine snow aggregates from abandoned larvacean houses were examined by laboratory experiments and field sampling during a spring diatom bloom in a shallow fjord on the west coast of the USA. Intact aggregates were sampled both from sediment traps...

  9. Natural aggregate totally replacement by mechanically treated concrete waste

    Directory of Open Access Journals (Sweden)

    Junak Jozef

    2015-06-01

    Full Text Available This paper presents the results obtained from the research focused on the utilization of crushed concrete waste aggregates as a partial or full replacement of 4/8 and 8/16 mm natural aggregates fraction in concrete strength class C 16/20. Main concrete characteristics such as workability, density and compressive strength were studied. Compressive strength testing intervals for samples with recycled concrete aggregates were 2, 7, 14 and 28 days. The amount of water in the mixtures was indicative. For mixture resulting consistency required slump grade S3 was followed. Average density of all samples is in the range of 2250 kg/m3 to 2350 kg/m3. The highest compressive strength after 28 days of curing, 34.68 MPa, reached sample, which contained 100% of recycled material in 4/8 mm fraction and 60% of recycled aggregates in 8/16 mm fraction. This achieved value was only slightly different from the compressive strength 34.41 MPa of the reference sample.

  10. Aggregation-induced emission: phenomenon, mechanism and applications.

    Science.gov (United States)

    Hong, Yuning; Lam, Jacky W Y; Tang, Ben Zhong

    2009-08-07

    It is textbook knowledge that chromophore aggregation generally quenches light emission. In this feature article, we give an account on how we observed an opposite phenomenon termed aggregation-induced emission (AIE) and identified the restriction of intramolecular rotation as a main cause for the AIE effect. Based on the mechanistic understanding, we developed a series of new fluorescent and phosphorescent AIE systems with emission colours covering the entire visible spectral region and luminescence quantum yields up to unity. We explored high-tech applications of the AIE luminogens as, for example, fluorescence sensors (for explosive, ion, pH, temperature, viscosity, pressure, etc.), biological probes (for protein, DNA, RNA, sugar, phospholipid, etc.), immunoassay markers, PAGE visualization agents, polarized light emitters, monitors for layer-by-layer assembly, reporters for micelle formation, multistimuli-responsive nanomaterials, and active layers in the fabrication of organic light-emitting diodes.

  11. The aggregate complexity of decisions in the game of Go

    Science.gov (United States)

    Harré, M. S.; Bossomaier, T.; Gillett, A.; Snyder, A.

    2011-04-01

    Artificial intelligence (AI) research is fast approaching, or perhaps has already reached, a bottleneck whereby further advancement towards practical human-like reasoning in complex tasks needs further quantified input from large studies of human decision-making. Previous studies in psychology, for example, often rely on relatively small cohorts and very specific tasks. These studies have strongly influenced some of the core notions in AI research such as the reinforcement learning and the exploration versus exploitation paradigms. With the goal of contributing to this direction in AI developments we present our findings on the evolution towards world-class decision-making across large cohorts of subjects in the formidable game of Go. Some of these findings directly support previous work on how experts develop their skills but we also report on several previously unknown aspects of the development of expertise that suggests new avenues for AI research to explore. In particular, at the level of play that has so far eluded current AI systems for Go, we are able to quantify the lack of `predictability' of experts and how this changes with their level of skill.

  12. Simultaneous membrane interaction of amphipathic peptide monomers, self-aggregates and cargo complexes detected by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Vasconcelos, Luís; Lehto, Tõnis; Madani, Fatemeh; Radoi, Vlad; Hällbrink, Mattias; Vukojević, Vladana; Langel, Ülo

    2018-02-01

    Peptides able to translocate cell membranes while carrying macromolecular cargo, as cell-penetrating peptides (CPPs), can contribute to the field of drug delivery by enabling the transport of otherwise membrane impermeable molecules. Formation of non-covalent complexes between amphipathic peptides and oligonucleotides is driven by electrostatic and hydrophobic interactions. Here we investigate and quantify the coexistence of distinct molecular species in multiple equilibria, namely peptide monomer, peptide self-aggregates and peptide/oligonucleotide complexes. As a model for the complexes, we used a stearylated peptide from the PepFect family, PF14 and siRNA. PF14 has a cationic part and a lipid part, resembling some characteristics of cationic lipids. Fluorescence correlation spectroscopy (FCS) and fluorescence cross-correlation spectroscopy (FCCS) were used to detect distinct molecular entities in solution and at the plasma membrane of live cells. For that, we labeled the peptide with carboxyrhodamine 6G and the siRNA with Cyanine 5. We were able to detect fluorescent entities with diffusional properties characteristic of the peptide monomer as well as of peptide aggregates and peptide/oligonucleotide complexes. Strategies to avoid peptide adsorption to solid surfaces and self-aggregation were developed and allowed successful FCS measurements in solution and at the plasma membrane. The ratio between the detected molecular species was found to vary with pH, peptide concentration and the proximity to the plasma membrane. The present results suggest that the diverse cellular uptake mechanisms, often reported for amphipathic CPPs, might result from the synergistic effect of peptide monomers, self-aggregates and cargo complexes, distributed unevenly at the plasma membrane. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Physico-mechanical properties of high performance concrete using different aggregates in presence of silica fume

    Directory of Open Access Journals (Sweden)

    Salah A. Abo-El-Enein

    2014-04-01

    Full Text Available Heavy weight high performance concrete (HPC can be used when particular properties, such as high strength and good radiation shielding are required. Such concrete, using ilmenite and hematite coarse aggregates can significantly have higher specific gravities than those of concrete made with dolomite and air-cooled slag aggregates. Four different concrete mixes with the same cement content and different w/c ratios were designed using normal dolomite aggregate, air-cooled slag by-product and two different types of iron ore aggregates. High performance concrete (grade-M60 can be achieved using superplasticizer to reduce the water/cement ratio; the effect of SF on the performance of concrete was studied by addition of 10% silica fume to the total cement content. The physico-mechanical properties of coarse aggregates and hardened concrete were studied. The results show that, Ilmenite coarse aggregate gives higher physical and mechanical properties than the other aggregates. Also, addition of 10% silica fume developed a stronger and a denser interfacial transition zone (ITZ between concrete particles and the cement matrix. Crushed air-cooled slag can be used to produce a high-strength concrete with better mechanical properties than corresponding concrete made with crushed hematite and ilmenite. Heavy density concrete made with fine aggregates of ilmenite and air-cooled slag are expected to be suitable as shielding materials to attenuate gamma rays.

  14. A scoring mechanism for the rank aggregation of network robustness

    Science.gov (United States)

    Yazdani, Alireza; Dueñas-Osorio, Leonardo; Li, Qilin

    2013-10-01

    To date, a number of metrics have been proposed to quantify inherent robustness of network topology against failures. However, each single metric usually only offers a limited view of network vulnerability to different types of random failures and targeted attacks. When applied to certain network configurations, different metrics rank network topology robustness in different orders which is rather inconsistent, and no single metric fully characterizes network robustness against different modes of failure. To overcome such inconsistency, this work proposes a multi-metric approach as the basis of evaluating aggregate ranking of network topology robustness. This is based on simultaneous utilization of a minimal set of distinct robustness metrics that are standardized so to give way to a direct comparison of vulnerability across networks with different sizes and configurations, hence leading to an initial scoring of inherent topology robustness. Subsequently, based on the inputs of initial scoring a rank aggregation method is employed to allocate an overall ranking of robustness to each network topology. A discussion is presented in support of the presented multi-metric approach and its applications to more realistically assess and rank network topology robustness.

  15. Study of mechanical properties and recommendations for the application of waste Bakelite aggregate concrete

    Directory of Open Access Journals (Sweden)

    Nopagon Usahanunth

    2018-06-01

    Full Text Available Bakelite waste from industrial manufacturing may be a hazard to the environment and public health. The utilization of waste Bakelite (WB to replace natural aggregates (NA, such as natural coarse aggregate (NCA and natural fine aggregate (NFA, in concrete and mortar is an approach for reducing both waste plastic and natural material. This research examines the utilization of waste Bakelite aggregate (WBA in concrete and mortar mixtures to form waste Bakelite aggregate concrete (WBAC and waste Bakelite mortar (WBM. The tests cover the physical and chemical properties of WBA, the mechanical properties of WBAC and WBM (including the extraction of chemical substances from WBA utilization to replace NCA and NFA, and recommendations for the application of replacement. The results indicate that WBA particles of different sizes can replace both fine and coarse natural aggregates. Its weight is less than natural aggregate but the absorption rate is higher. As for recommendations for the application, it was found that replacing 20% of NCA with waste Bakelite coarse aggregate in concrete (WBAC-RNCA was the most suitable proportion, owing to its mechanical properties and safety for the environment and public health, and because its material cost is acceptable. However, the use of waste Bakelite fine aggregate to replace NFA (WBAC-RNFA in concrete is not appropriate, because its mechanical properties are not sufficient, and it is considered unsafe for the environment and health. Moreover, WBM is not a suitable material for plastering work, since it may be a hazard to the environment and public health, and its cost is higher than conventional mortar. Keywords: Waste Bakelite, Aggregate, Concrete, Mortar

  16. Influence of silica fume on mechanical and physical properties of recycled aggregate concrete

    Directory of Open Access Journals (Sweden)

    Özgür Çakır

    2015-08-01

    Full Text Available Several studies related to sustainable concrete construction have encouraged development of composite binders, involving Portland cement, industrial by-products, and concrete mixes with partial replacement of natural aggregate with recycled aggregate. In this paper, the effects of incorporating silica fume (SF in the concrete mix design to improve the quality of recycled aggregates in concrete are presented. Portland cement was replaced with SF at 0%, 5% and 10%. Specimens were manufactured by replacing natural aggregates with recycled aggregates. Two size fractions (4/12 mm and 8/22 mm as recycled aggregates were used and four series of concrete mixtures were produced. In all concrete mixtures, a constant water/binder ratio at 0.50 was used and concrete mixtures with a target initial slump of S4 class (16–21 cm were prepared. Concrete properties were evaluated by means of compressive strength, tensile splitting strength, water absorption and ultrasonic pulse velocity and it was found that, using 10% SF as a cement replacement for recycled aggregate concretes enhanced the mechanical and physical properties of concrete. At all the test ages the tensile splitting strength gain of the natural aggregate concrete mixture (NA with and without SF was higher than that of the recycled concrete mixtures. Continuous and significant improvement in the tensile splitting strength of recycled aggregate concretes incorporating SF was observed. Similar to compressive strength test results, concrete incorporating 10% SF and containing 4/12 mm fraction recycled aggregates showed better performance among recycled aggregate concretes.

  17. Simultaneous measurement of amyloid fibril formation by dynamic light scattering and fluorescence reveals complex aggregation kinetics.

    Directory of Open Access Journals (Sweden)

    Aaron M Streets

    Full Text Available An apparatus that combines dynamic light scattering and Thioflavin T fluorescence detection is used to simultaneously probe fibril formation in polyglutamine peptides, the aggregating subunit associated with Huntington's disease, in vitro. Huntington's disease is a neurodegenerative disorder in a class of human pathologies that includes Alzheimer's and Parkinson's disease. These pathologies are all related by the propensity of their associated protein or polypeptide to form insoluble, β-sheet rich, amyloid fibrils. Despite the wide range of amino acid sequence in the aggregation prone polypeptides associated with these diseases, the resulting amyloids display strikingly similar physical structure, an observation which suggests a physical basis for amyloid fibril formation. Thioflavin T fluorescence reports β-sheet fibril content while dynamic light scattering measures particle size distributions. The combined techniques allow elucidation of complex aggregation kinetics and are used to reveal multiple stages of amyloid fibril formation.

  18. Physical and mechanical properties of mortars containing PET and PC waste aggregates.

    Science.gov (United States)

    Hannawi, Kinda; Kamali-Bernard, Siham; Prince, William

    2010-11-01

    Non-biodegradable plastic aggregates made of polycarbonate (PC) and polyethylene terephthalate (PET) waste are used as partial replacement of natural aggregates in mortar. Various volume fractions of sand 3%, 10%, 20% and 50% are replaced by the same volume of plastic. This paper investigates the physical and mechanical properties of the obtained composites. The main results of this study show the feasibility of the reuse of PC and PET waste aggregates materials as partial volume substitutes for natural aggregates in cementitious materials. Despite of some drawbacks like a decrease in compressive strength, the use of PC and PET waste aggregates presents various advantages. A reduction of the specific weight of the cementitious materials and a significant improvement of their post-peak flexural behaviour are observed. The calculated flexural toughness factors increase significantly with increasing volume fraction of PET and PC-aggregates. Thus, addition of PC and PET plastic aggregates in cementitious materials seems to give good energy absorbing materials which is very interesting for several civil engineering applications like structures subjected to dynamic or impact efforts. The present study has shown quite encouraging results and opened new way for the recycling of PC waste aggregate in cement and concrete composites. Copyright © 2010 Elsevier Ltd. All rights reserved.

  19. Structural insights into mechanisms for inhibiting amyloid β42 aggregation by non-catechol-type flavonoids.

    Science.gov (United States)

    Hanaki, Mizuho; Murakami, Kazuma; Akagi, Ken-ichi; Irie, Kazuhiro

    2016-01-15

    The prevention of 42-mer amyloid β-protein (Aβ42) aggregation is promising for the treatment of Alzheimer's disease. We previously described the site-specific inhibitory mechanism for Aβ42 aggregation by a catechol-type flavonoid, (+)-taxifolin, targeting Lys16,28 after its autoxidation. In contrast, non-catechol-type flavonoids (morin, datiscetin, and kaempferol) inhibited Aβ42 aggregation without targeting Lys16,28 with almost similar potencies to that of (+)-taxifolin. We herein provided structural insights into their mechanisms for inhibiting Aβ42 aggregation. Physicochemical analyses revealed that their inhibition did not require autoxidation. The (1)H-(15)N SOFAST-HMQC NMR of Aβ42 in the presence of morin and datiscetin revealed the significant perturbation of chemical shifts of His13,14 and Gln15, which were close to the intermolecular β-sheet region, Gln15-Ala21. His13,14 also played a role in radical formation at Tyr10, thereby inducing the oxidation of Met35, which has been implicated in Aβ42 aggregation. These results suggest the direct interaction of morin and datiscetin with the Aβ42 monomer. Although only kaempferol was oxidatively-degraded during incubation, its degradation products as well as kaempferol itself suppressed Aβ42 aggregation. However, neither kaempferol nor its decomposed products perturbed the chemical shifts of the Aβ42 monomer. Aggregation experiments using 1,1,1,3,3,3-hexafluoro-2-propanol-treated Aβ42 demonstrated that kaempferol and its degradation products inhibited the elongation rather than nucleation phase, implying that they interacted with small aggregates of Aβ42, but not with the monomer. In contrast, morin and datiscetin inhibited both phases. The position and number of hydroxyl groups on the B-ring of non-catechol-type flavonoids could be important for their inhibitory potencies and mechanisms against Aβ42 aggregation. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Mechanisms of sound seattering by biological targets and their aggregates

    Directory of Open Access Journals (Sweden)

    Natalia Gorska

    2006-03-01

    Full Text Available Natalia Gorska's thesis is based on a set of 9 papers published in scientific journals (Gorska & Klusek 1998, Gorska 2000, Gorska & Chu 2001a, b, Gorska & Ona 2003a, b and conference proceedings (Gorska & Klusek 1994, Gorska 1999, Gorska & Chu 2000, which broadly summarise her integrated research achievements in underwater acoustics from 1994 to 2003. She is the sole author of two of the articles (Gorska 1999, 2000, and is the first co-author, taking a leading part, in the others (Gorska & Klusek 1994, 1998, Gorska & Chu 2000, Gorska & Chu 200la, b, Gorska & Ona 2003a, b.     Her research objective was to work out the theoretical background to certain problems of sound scattering by biological targets - single individuals and aggregated layers of fish and zooplankton - in relation to environmental conditions in the sea. In the study she focused on acoustical extinction and backscattering, including the phenomenon of echo interference. In conjunction wit h the co-authors of papers Gorska & Ona 2003a, b, Gorska & Chu 2001a, b and Gorska & Chu 2000, she was able to apply and verify her theoretical results empirically.

  1. Effects of Uncrushed Aggregate on the Mechanical Properties of No-Fines Concrete

    Directory of Open Access Journals (Sweden)

    M. A. Memon

    2018-06-01

    Full Text Available Concrete’s self-weight is a major aspect of a structure’s overall weight. Recently, the use of lightweight concrete (no-fines, foamed and cellular concrete has been increased. Normally no-fines concrete is produced with crushed coarse aggregate of uniform gradation. This study aims to investigate experimentally the effects of the use of uncrushed coarse aggregates on unit weight, compressive and tensile strength of the no-fines (NFC as well as conventional concrete (CC. In addition, the effects of coarse aggregate size on the mechanical properties were also studied. Four gradations of uncrushed coarse aggregates ranging between (5.5-4.75 mm, (10-4.75 mm, (20-4.75 mm and (25-4.75 mm were used for preparing the concretes. The fixed cement-aggregate ratios of 1:6 (with w/c ratio=0.4 and 1:2:4 (with w/c ratio=0.5 were adopted for NFC and CC respectively. It was found that the gradation of uncrushed coarse aggregate has a significant effect on the mechanical properties of NFC. A maximum of 16% reduction in self-weight of the concrete without fines was obtained, as compared to that with fines. Moreover, the compressive strength of no-fines concrete significantly improved by replacing crushed with uncrushed coarse aggregate. The compressive strength increased by 16% for the batch of (25-4.75 mm.

  2. Impact of Aggregates Size and Fibers on basic Mechanical Properties of Asphalt Emulsion—Cement Concrete

    Science.gov (United States)

    Fu, Jun; Liu, Zhihong; Liu, Jie

    2018-01-01

    Asphalt Emulsion—Cement Concrete (AECC) is currently considered as a typical semi-flexibility material. One of the disadvantages of this material is brittle fracture and lacking ductility. This study aims at accelerating the basic mechanical properties of AECC using fibers and different aggregates size. The mix of AECC was introduced and the different content of fibers and aggregates size were studied. The results showed that the smaller aggregates size could improve the young’s modulus and compressive strength as well as fiber. The modulus-compressive strength ratio of fiber reinforced AECC is always below 500.

  3. The Lutzomyia longipalpis complex: a brief natural history of aggregation-sex pheromone communication.

    Science.gov (United States)

    Spiegel, Carolina N; Dias, Denise B Dos Santos; Araki, Alejandra S; Hamilton, James G C; Brazil, Reginaldo P; Jones, Théresa M

    2016-11-14

    In this paper we review the natural history of pheromone communication and the current diversity of aggregation-sex pheromones in the sand fly Lutzomyia longipalpis. This species complex is the main vector of Leishmania infantum, the agent of visceral leishmaniasis in the Americas. The identification of variation in pheromone chemotypes combined with molecular and sound analyses have all contributed to our understanding of the extent of divergence among cryptic members of this complex. The importance of chemical signals as pre-mating barriers and drivers of speciation is discussed. Moreover, the importance of aggregation-sex pheromones as sexually selected signals is highlighted with evidence from the literature suggesting their potential role in species and mate recognition as well as mate assessment. The distinct evolutionary forces possibly involved are briefly reviewed and discussed in the context of this intriguing insect.

  4. Crystal structure of the Haemophilus influenzae Hap adhesin reveals an intercellular oligomerization mechanism for bacterial aggregation

    Science.gov (United States)

    Meng, Guoyu; Spahich, Nicole; Kenjale, Roma; Waksman, Gabriel; St Geme, Joseph W

    2011-01-01

    Bacterial biofilms are complex microbial communities that are common in nature and are being recognized increasingly as an important determinant of bacterial virulence. However, the structural determinants of bacterial aggregation and eventual biofilm formation have been poorly defined. In Gram-negative bacteria, a major subgroup of extracellular proteins called self-associating autotransporters (SAATs) can mediate cell–cell adhesion and facilitate biofilm formation. In this study, we used the Haemophilus influenzae Hap autotransporter as a prototype SAAT to understand how bacteria associate with each other. The crystal structure of the H. influenzae HapS passenger domain (harbouring the SAAT domain) was determined to 2.2 Å by X-ray crystallography, revealing an unprecedented intercellular oligomerization mechanism for cell–cell interaction. The C-terminal SAAT domain folds into a triangular-prism-like structure that can mediate Hap–Hap dimerization and higher degrees of multimerization through its F1–F2 edge and F2 face. The intercellular multimerization can give rise to massive buried surfaces that are required for overcoming the repulsive force between cells, leading to bacterial cell–cell interaction and formation of complex microcolonies. PMID:21841773

  5. Mechanical Properties of Lightweight Concrete Using Recycled Cement-Sand Brick as Coarse Aggregates Replacement

    Science.gov (United States)

    Joohari, Ilya; Farhani Ishak, Nor; Amin, Norliyati Mohd

    2018-03-01

    This paper presents the result of replacing natural course aggregate with recycled cement-sand brick (CSB) towards the mechanical properties of concrete. Natural aggregates were used in this study as a control sample to compare with recycled coarse aggregates. This study was also carried to determine the optimum proportion of coarse aggregates replacement to produce lightweight concrete. Besides, this study was conducted to observe the crack and its behaviour development during the mechanical testing. Through this study, four types of concrete mixed were prepared, which were the control sample, 25%, 50% and 75% replacement of CSB. The test conducted to determine the effectiveness of recycled CSB as coarse aggregates replacement in this study were slump test, density measurement, compression test, and flexural test and. The strength of concrete was tested at 7 days and 28 days of curing. From the results obtained, the optimum proportion which produced the highest strength is 25% replacement of recycled CSB. The compressive and flexural strength has decreased by 10%-12% and 4%-34% respectively compared to the control sample. The presence of recycled coarse aggregates in sample has decreased the density of concrete by 0.8%-3% compared to the control sample.

  6. Quantum mechanics in complex systems

    Science.gov (United States)

    Hoehn, Ross Douglas

    This document should be considered in its separation; there are three distinct topics contained within and three distinct chapters within the body of works. In a similar fashion, this abstract should be considered in three parts. Firstly, we explored the existence of multiply-charged atomic ions by having developed a new set of dimensional scaling equations as well as a series of relativistic augmentations to the standard dimensional scaling procedure and to the self-consistent field calculations. Secondly, we propose a novel method of predicting drug efficacy in hopes to facilitate the discovery of new small molecule therapeutics by modeling the agonist-protein system as being similar to the process of Inelastic Electron Tunneling Spectroscopy. Finally, we facilitate the instruction in basic quantum mechanical topics through the use of quantum games; this method of approach allows for the generation of exercises with the intent of conveying the fundamental concepts within a first year quantum mechanics classroom. Furthermore, no to be mentioned within the body of the text, yet presented in appendix form, certain works modeling the proliferation of cells types within the confines of man-made lattices for the purpose of facilitating artificial vascular transplants. In Chapter 2, we present a theoretical framework which describes multiply-charged atomic ions, their stability within super-intense laser fields, also lay corrections to the systems due to relativistic effects. Dimensional scaling calculations with relativistic corrections for systems: H, H-, H 2-, He, He-, He2-, He3- within super-intense laser fields were completed. Also completed were three-dimensional self consistent field calculations to verify the dimensionally scaled quantities. With the aforementioned methods the system's ability to stably bind 'additional' electrons through the development of multiple isolated regions of high potential energy leading to nodes of high electron density is shown

  7. Molecular Mechanism of the Early Stage of Amyloidogenic Hexapeptides (NFGAIL) Aggregation

    International Nuclear Information System (INIS)

    Shi Bi-Yun; Zhou Bo; Cai Zhuo-Wei; Yang Zai-Xing; Xiu Peng

    2013-01-01

    Peptides/proteins aggregation can give rise to pathological conditions of many human diseases. Small partially ordered oligomers formed in the early stage of aggregation, rather than mature fibrils, are thought to be the main toxicity agent for the living cell. Thus, understanding the pathway and the underlying physical mechanism in the early stage of aggregation is very important for prevention and treatment of these protein functional diseases. Herein we use all-atom molecular dynamics simulations to study the aggregation of four NFGAIL hexapeptides (NFGAIL peptide is a core segment of human islet amyloid polypeptide and exhibits similar aggregation kinetics as the full-length polypeptide). We observe that the peptide monomers in water mainly adopt non-structural coil configurations; the four peptides which are randomly placed in water aggregate spontaneously to partially ordered oligomer (β-sheets) through dimerization or trimerization, with the dimerization predominated. Both parallel and anti-parallel β-sheets are observed. The hydrophobic interactions drive the initial peptides associations, and the subsequent conformational fluctuations promote the formation of more hydrogen bonds between the dangling hydrogen sites in the main chains of peptides. (interdisciplinary physics and related areas of science and technology)

  8. Mechanisms of plastein formation, and prospective food and nutraceutical applications of the peptide aggregates

    Directory of Open Access Journals (Sweden)

    Min Gong

    2015-03-01

    Full Text Available Plastein is a protease-induced peptide aggregate with prospective application in enhancing the nutritional quality of proteins and debittering protein hydrolysates. These properties are yet to be applied in product development possibly due to economic considerations (production cost vs. product yields. This paper reviews currently proposed mechanisms of plastein formation including condensation, transpeptidation and physical interaction of aggregating peptides. Emerging findings indicate that plastein possesses bioactivities, thereby expanding its prospective application. The role of proteases in inducing peptide interaction in plastein remains unclear. Understanding the protease function will facilitate the development of efficient proteases and scalable industrial processes for plastein production.

  9. Dynamic Tuning of Plasmon-Exciton Coupling in Arrays of Nanodisk-J-aggregate Complexes

    KAUST Repository

    Zheng, Yue Bing

    2010-07-21

    Figure Presented Dynamic tuning of plasmon-exclton resonant coupling in arrays of nanodisk-J-aggregate complexes is demonstrated. The angle-resolved spectra of an array of bare gold nanodisks exhibit continuous shifting of localized surface plasmon resonance. This characteristic enables the production of real-time, controllable spectral overlap between molecular resonance and plasmóme resonance. The resonant interaction strength as a function of spectral overlap is explored and the coupling strength changes with the incident angle of a probe light, in accord with simulations based on coupled dipóle approximation method. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Mechanical and radiation shielding properties of mortars with additive fine aggregate mine waste

    International Nuclear Information System (INIS)

    Gallala, Wissem; Hayouni, Yousra; Gaied, Mohamed Essghaier; Fusco, Michael; Alsaied, Jasmin; Bailey, Kathryn; Bourham, Mohamed

    2017-01-01

    Highlights: • Effectiveness of mine waste as additive fine aggregate has been investigated. • Experimental results are verified by computationally from composition of synthesized samples. • Work focuses on shielding materials for nuclear systems including spent fuel storage and drycasks. - Abstract: Incorporation of barite-fluorspar mine waste (BFMW) as a fine aggregate additive has been investigated for its effect on the mechanical and shielding properties of cement mortar. Several mortar mixtures were prepared with different proportions of BFMW ranging from 0% to 30% as fine aggregate replacement. Cement mortar mixtures were evaluated for density, compressive and tensile strengths, and gamma ray radiation shielding. The results revealed that the mortar mixes containing 25% BFMW reaches the highest compressive strength values, which exceeded 50 MPa. Evaluation of gamma-ray attenuation was both measured by experimental tests and computationally calculated using MicroShield software package, and results have shown that using BFMW aggregates increases attenuation coefficient by about 20%. These findings have demonstrated that the mine waste can be suitably used as partial replacement aggregate to improve radiation shielding as well as to reduce the mortar and concrete costs.

  11. Mechanical and Physical Properties of Polyester Polymer Concrete Using Recycled Aggregates from Concrete Sleepers

    Directory of Open Access Journals (Sweden)

    Francisco Carrión

    2014-01-01

    Full Text Available Currently, reuse of solid waste from disused infrastructures is an important environmental issue to study. In this research, polymer concrete was developed by mixing orthophthalic unsaturated polyester resin, artificial microfillers (calcium carbonate, and waste aggregates (basalt and limestone coming from the recycling process of concrete sleepers. The variation of the mechanical and physical properties of the polymer concrete (compressive strength, flexural strength, modulus of elasticity, density, and water absorption was analyzed based on the modification of different variables: nature of the recycled aggregates, resin contents (11 wt%, 12 wt%, and 13 wt%, and particle-size distributions of microfillers used. The results show the influence of these variables on mechanical performance of polymer concrete. Compressive and flexural strength of recycled polymer concrete were improved by increasing amount of polyester resin and by optimizing the particle-size distribution of the microfillers. Besides, the results show the feasibility of developing a polymer concrete with excellent mechanical behavior.

  12. Mechanical and physical properties of polyester polymer concrete using recycled aggregates from concrete sleepers.

    Science.gov (United States)

    Carrión, Francisco; Montalbán, Laura; Real, Julia I; Real, Teresa

    2014-01-01

    Currently, reuse of solid waste from disused infrastructures is an important environmental issue to study. In this research, polymer concrete was developed by mixing orthophthalic unsaturated polyester resin, artificial microfillers (calcium carbonate), and waste aggregates (basalt and limestone) coming from the recycling process of concrete sleepers. The variation of the mechanical and physical properties of the polymer concrete (compressive strength, flexural strength, modulus of elasticity, density, and water absorption) was analyzed based on the modification of different variables: nature of the recycled aggregates, resin contents (11 wt%, 12 wt%, and 13 wt%), and particle-size distributions of microfillers used. The results show the influence of these variables on mechanical performance of polymer concrete. Compressive and flexural strength of recycled polymer concrete were improved by increasing amount of polyester resin and by optimizing the particle-size distribution of the microfillers. Besides, the results show the feasibility of developing a polymer concrete with excellent mechanical behavior.

  13. The influence of local mechanisms on large scale seismic vulnerability estimation of masonry building aggregates

    Science.gov (United States)

    Formisano, Antonio; Chieffo, Nicola; Milo, Bartolomeo; Fabbrocino, Francesco

    2016-12-01

    The current paper deals with the seismic vulnerability evaluation of masonry constructions grouped in aggregates through an "ad hoc" quick vulnerability form based on new assessment parameters considering local collapse mechanisms. First, a parametric kinematic analysis on masonry walls with different height (h) / thickness (t) ratios has been developed with the purpose of identifying the collapse load multiplier for activation of the main four first-order failure mechanisms. Subsequently, a form initially conceived for building aggregates suffering second-mode collapse mechanisms, has been expanded on the basis of the achieved results. Tre proposed quick vulnerability technique has been applied to one case study within the territory of Arsita (Teramo, Italy) and, finally, it has been also validated by the comparison of results with those deriving from application of the well-known FaMIVE procedure.

  14. Effectiveness of Fiber Reinforcement on the Mechanical Properties and Shrinkage Cracking of Recycled Fine Aggregate Concrete

    Science.gov (United States)

    Nam, Jeongsoo; Kim, Gyuyong; Yoo, Jaechul; Choe, Gyeongcheol; Kim, Hongseop; Choi, Hyeonggil; Kim, Youngduck

    2016-01-01

    This paper presents an experimental study conducted to investigate the effect of fiber reinforcement on the mechanical properties and shrinkage cracking of recycled fine aggregate concrete (RFAC) with two types of fiber—polyvinyl alcohol (PVA) and nylon. A small fiber volume fraction, such as 0.05% or 0.1%, in RFAC with polyvinyl alcohol or nylon fibers was used for optimum efficiency in minimum quantity. Additionally, to make a comparative evaluation of the mechanical properties and shrinkage cracking, we examined natural fine aggregate concrete as well. The test results revealed that the addition of fibers and fine aggregates plays an important role in improving the mechanical performance of the investigated concrete specimens as well as controlling their cracking behavior. The mechanical properties such as compressive strength, splitting tensile strength, and flexural strength of fiber-reinforced RFAC were slightly better than those of non-fiber-reinforced RFAC. The shrinkage cracking behavior was examined using plat-ring-type and slab-type tests. The fiber-reinforced RFAC showed a greater reduction in the surface cracks than non-fiber-reinforced concrete. The addition of fibers at a small volume fraction in RFAC is more effective for drying shrinkage cracks than for improving mechanical performance. PMID:28773256

  15. Effectiveness of Fiber Reinforcement on the Mechanical Properties and Shrinkage Cracking of Recycled Fine Aggregate Concrete.

    Science.gov (United States)

    Nam, Jeongsoo; Kim, Gyuyong; Yoo, Jaechul; Choe, Gyeongcheol; Kim, Hongseop; Choi, Hyeonggil; Kim, Youngduck

    2016-02-26

    This paper presents an experimental study conducted to investigate the effect of fiber reinforcement on the mechanical properties and shrinkage cracking of recycled fine aggregate concrete (RFAC) with two types of fiber-polyvinyl alcohol (PVA) and nylon. A small fiber volume fraction, such as 0.05% or 0.1%, in RFAC with polyvinyl alcohol or nylon fibers was used for optimum efficiency in minimum quantity. Additionally, to make a comparative evaluation of the mechanical properties and shrinkage cracking, we examined natural fine aggregate concrete as well. The test results revealed that the addition of fibers and fine aggregates plays an important role in improving the mechanical performance of the investigated concrete specimens as well as controlling their cracking behavior. The mechanical properties such as compressive strength, splitting tensile strength, and flexural strength of fiber-reinforced RFAC were slightly better than those of non-fiber-reinforced RFAC. The shrinkage cracking behavior was examined using plat-ring-type and slab-type tests. The fiber-reinforced RFAC showed a greater reduction in the surface cracks than non-fiber-reinforced concrete. The addition of fibers at a small volume fraction in RFAC is more effective for drying shrinkage cracks than for improving mechanical performance.

  16. Formation, aggregation and reactivity of amorphous ferric oxyhydroxides on dissociation of Fe(III)-organic complexes in dilute aqueous suspensions

    Science.gov (United States)

    Bligh, Mark W.; Waite, T. David

    2010-10-01

    While chemical reactions that take place at the surface of amorphous ferric oxides (AFO) are known to be important in aquatic systems, incorporation of these reactions into kinetic models is hindered by a lack of ability to reliably quantify the reactivity of the surface and the changes in reactivity that occur over time. Long term decreases in the reactivity of iron oxides may be considered to result from changes in the molecular structure of the solid, however, over shorter time scales where substantial aggregation may occur, the mechanisms of reactivity loss are less clear. Precipitation of AFO may be described as a combination of homogeneous and heterogeneous reactions, however, despite its potentially significant role, the latter reaction is usually neglected in kinetic models of aquatic processes. Here, we investigate the role of AFO in scavenging dissolved inorganic ferric (Fe(III)) species (Fe') via the heterogeneous precipitation reaction during the net dissociation of organically complexed Fe(III) in seawater. Using sulfosalicylic acid (SSA) as a model ligand, AFO was shown to play a significant role in inducing the net dissociation of the Fe-SSA complexes with equations describing both the heterogeneous precipitation reaction and the aging of AFO being required to adequately describe the experimental data. An aggregation based mechanism provided a good description of AFO aging over the short time scale of the experiments. The behaviour of AFO described here has implications for the bioavailability of iron in natural systems as a result of reactions involving AFO which are recognised to occur over time scales of minutes, including adsorption of Fe' and AFO dissolution, precipitation and ageing.

  17. Human Error Mechanisms in Complex Work Environments

    DEFF Research Database (Denmark)

    Rasmussen, Jens

    1988-01-01

    will account for most of the action errors observed. In addition, error mechanisms appear to be intimately related to the development of high skill and know-how in a complex work context. This relationship between errors and human adaptation is discussed in detail for individuals and organisations...

  18. Quantum mechanics: why complex Hilbert space?

    Science.gov (United States)

    Cassinelli, G.; Lahti, P.

    2017-10-01

    We outline a programme for an axiomatic reconstruction of quantum mechanics based on the statistical duality of states and effects that combines the use of a theorem of Solér with the idea of symmetry. We also discuss arguments favouring the choice of the complex field. This article is part of the themed issue `Second quantum revolution: foundational questions'.

  19. Influence of Pea Protein Aggregates on the Structure and Stability of Pea Protein/Soybean Polysaccharide Complex Emulsions

    Directory of Open Access Journals (Sweden)

    Baoru Yin

    2015-03-01

    Full Text Available The applications of plant proteins in the food and beverage industry have been hampered by their precipitation in acidic solution. In this study, pea protein isolate (PPI with poor dispersibility in acidic solution was used to form complexes with soybean soluble polysaccharide (SSPS, and the effects of PPI aggregates on the structure and stability of PPI/SSPS complex emulsions were investigated. Under acidic conditions, high pressure homogenization disrupts the PPI aggregates and the electrostatic attraction between PPI and SSPS facilitates the formation of dispersible PPI/SSPS complexes. The PPI/SSPS complex emulsions prepared from the PPI containing aggregates prove to possess similar droplet structure and similar stability compared with the PPI/SSPS emulsions produced from the PPI in which the aggregates have been previously removed by centrifugation. The oil droplets are protected by PPI/SSPS complex interfacial films and SSPS surfaces. The emulsions show long-term stability against pH and NaCl concentration changes. This study demonstrates that PPI aggregates can also be used to produce stable complex emulsions, which may promote the applications of plant proteins in the food and beverage industry.

  20. Influence of pea protein aggregates on the structure and stability of pea protein/soybean polysaccharide complex emulsions.

    Science.gov (United States)

    Yin, Baoru; Zhang, Rujing; Yao, Ping

    2015-03-20

    The applications of plant proteins in the food and beverage industry have been hampered by their precipitation in acidic solution. In this study, pea protein isolate (PPI) with poor dispersibility in acidic solution was used to form complexes with soybean soluble polysaccharide (SSPS), and the effects of PPI aggregates on the structure and stability of PPI/SSPS complex emulsions were investigated. Under acidic conditions, high pressure homogenization disrupts the PPI aggregates and the electrostatic attraction between PPI and SSPS facilitates the formation of dispersible PPI/SSPS complexes. The PPI/SSPS complex emulsions prepared from the PPI containing aggregates prove to possess similar droplet structure and similar stability compared with the PPI/SSPS emulsions produced from the PPI in which the aggregates have been previously removed by centrifugation. The oil droplets are protected by PPI/SSPS complex interfacial films and SSPS surfaces. The emulsions show long-term stability against pH and NaCl concentration changes. This study demonstrates that PPI aggregates can also be used to produce stable complex emulsions, which may promote the applications of plant proteins in the food and beverage industry.

  1. Mechanical Performance Evaluation of Self-Compacting Concrete with Fine and Coarse Recycled Aggregates from the Precast Industry.

    Science.gov (United States)

    Santos, Sara A; da Silva, Pedro R; de Brito, Jorge

    2017-08-04

    This paper intends to evaluate the feasibility of reintroducing recycled concrete aggregates in the precast industry. The mechanical properties of self-compacting concrete (SCC) with incorporation of recycled aggregates (RA) (coarse recycled aggregates (CRA) and fine recycled aggregates (FRA)) from crushed precast elements were evaluated. The goal was to evaluate the ability of producing SCC with a minimum pre-established performance in terms of mechanical strength, incorporating variable ratios of RA (FRA/CRA%: 0/0%, 25/25%, 50/50%, 0/100% and 100/0%) produced from precast source concretes with similar target performances. This replication in SCC was made for two strength classes (45 MPa and 65 MPa), with the intention of obtaining as final result concrete with recycled aggregates whose characteristics are compatible with those of a SCC with natural aggregates in terms of workability and mechanical strength. The results enabled conclusions to be established regarding the SCC's produced with fine and coarse recycled aggregates from the precast industry, based on its mechanical properties. The properties studied are strongly affected by the type and content of recycled aggregates. The potential demonstrated, mainly in the hardened state, by the joint use of fine and coarse recycled aggregate is emphasized.

  2. Heterologous aggregates promote de novo prion appearance via more than one mechanism.

    Directory of Open Access Journals (Sweden)

    Fatih Arslan

    2015-01-01

    Full Text Available Prions are self-perpetuating conformational variants of particular proteins. In yeast, prions cause heritable phenotypic traits. Most known yeast prions contain a glutamine (Q/asparagine (N-rich region in their prion domains. [PSI+], the prion form of Sup35, appears de novo at dramatically enhanced rates following transient overproduction of Sup35 in the presence of [PIN+], the prion form of Rnq1. Here, we establish the temporal de novo appearance of Sup35 aggregates during such overexpression in relation to other cellular proteins. Fluorescently-labeled Sup35 initially forms one or a few dots when overexpressed in [PIN+] cells. One of the dots is perivacuolar, colocalizes with the aggregated Rnq1 dot and grows into peripheral rings/lines, some of which also colocalize with Rnq1. Sup35 dots that are not near the vacuole do not always colocalize with Rnq1 and disappear by the time rings start to grow. Bimolecular fluorescence complementation failed to detect any interaction between Sup35-VN and Rnq1-VC in [PSI+][PIN+] cells. In contrast, all Sup35 aggregates, whether newly induced or in established [PSI+], completely colocalize with the molecular chaperones Hsp104, Sis1, Ssa1 and eukaryotic release factor Sup45. In the absence of [PIN+], overexpressed aggregating proteins such as the Q/N-rich Pin4C or the non-Q/N-rich Mod5 can also promote the de novo appearance of [PSI+]. Similar to Rnq1, overexpressed Pin4C transiently colocalizes with newly appearing Sup35 aggregates. However, no interaction was detected between Mod5 and Sup35 during [PSI+] induction in the absence of [PIN+]. While the colocalization of Sup35 and aggregates of Rnq1 or Pin4C are consistent with the model that the heterologous aggregates cross-seed the de novo appearance of [PSI+], the lack of interaction between Mod5 and Sup35 leaves open the possibility of other mechanisms. We also show that Hsp104 is required in the de novo appearance of [PSI+] aggregates in a [PIN

  3. RI: Rheology as a Tool for Understanding the Mechanics of Live Ant Aggregations, Part 2

    Science.gov (United States)

    2016-11-04

    earwax of pigs, dogs , cows, and humans. We find that earwax is shear-thinning for all these animals. This ability enables it to cling to the ear in low...self-cleaning.” Society for Integrative and Comparative Biology annual meeting, 2017.  P. Yang, D. Dao, R. Lehner, D. Hu, “ The hydrodynamics of...RI: Rheology as a Tool for Understanding the Mechanics of Live Ant Aggregations, Part 2 An Anton Paarr MCR 501 rheometer was purchased in order to

  4. Mechanical and Physical Properties of Polyester Polymer Concrete Using Recycled Aggregates from Concrete Sleepers

    OpenAIRE

    Carrión, F.; Montalban Domingo, Maria Laura; Real Herráiz, Julia Irene; Real, T.

    2014-01-01

    Currently, reuse of solid waste from disused infrastructures is an important environmental issue to study. In this research, polymer concrete was developed by mixing orthophthalic unsaturated polyester resin, artificial microfillers (calcium carbonate) and waste aggregates (basalt and limestone) coming from the recycling process of concrete sleepers. The variation of the mechanical and physical properties of the polymer concrete (compressive strenght, flexural strength, modulus of elasticity,...

  5. Environmental performance and mechanical analysis of concrete containing recycled asphalt pavement (RAP) and waste precast concrete as aggregate.

    Science.gov (United States)

    Erdem, Savaş; Blankson, Marva Angela

    2014-01-15

    The overall objective of this research project was to investigate the feasibility of incorporating 100% recycled aggregates, either waste precast concrete or waste asphalt planning, as replacements for virgin aggregates in structural concrete and to determine the mechanical and environmental performance of concrete containing these aggregates. Four different types of concrete mixtures were designed with the same total water cement ratio (w/c=0.74) either by using natural aggregate as reference or by totally replacing the natural aggregate with recycled material. Ground granulated blast furnace slag (GGBS) was used as a mineral addition (35%) in all mixtures. The test results showed that it is possible to obtain satisfactory performance for strength characteristics of concrete containing recycled aggregates, if these aggregates are sourced from old precast concrete. However, from the perspective of the mechanical properties, the test results indicated that concrete with RAP aggregate cannot be used for structural applications. In terms of leaching, the results also showed that the environmental behaviour of the recycled aggregate concrete is similar to that of the natural aggregate concrete. Copyright © 2013 Elsevier B.V. All rights reserved.

  6. Human error mechanisms in complex work environments

    International Nuclear Information System (INIS)

    Rasmussen, J.

    1988-01-01

    Human error taxonomies have been developed from analysis of industrial incident reports as well as from psychological experiments. In this paper the results of the two approaches are reviewed and compared. It is found, in both cases, that a fairly small number of basic psychological mechanisms will account for most of the action errors observed. In addition, error mechanisms appear to be intimately related to the development of high skill and know-how in a complex work context. This relationship between errors and human adaptation is discussed in detail for individuals and organisations. The implications for system safety and briefly mentioned, together with the implications for system design. (author)

  7. Human error mechanisms in complex work environments

    International Nuclear Information System (INIS)

    Rasmussen, Jens; Danmarks Tekniske Hoejskole, Copenhagen)

    1988-01-01

    Human error taxonomies have been developed from analysis of industrial incident reports as well as from psychological experiments. In this paper the results of the two approaches are reviewed and compared. It is found, in both cases, that a fairly small number of basic psychological mechanisms will account for most of the action errors observed. In addition, error mechanisms appear to be intimately related to the development of high skill and know-how in a complex work context. This relationship between errors and human adaptation is discussed in detail for individuals and organisations. The implications for system safety are briefly mentioned, together with the implications for system design. (author)

  8. The mechanical properties of brick containing recycled concrete aggregate and polyethylene terephthalate waste as sand replacement

    Science.gov (United States)

    Sheikh Khalid, Faisal; Bazilah Azmi, Nurul; Natasya Mazenan, Puteri; Shahidan, Shahiron; Ali, Noorwirdawati

    2018-03-01

    This research focuses on the performance of composite sand cement brick containing recycle concrete aggregate and waste polyethylene terephthalate. This study aims to determine the mechanical properties such as compressive strength and water absorption of composite brick containing recycled concrete aggregate (RCA) and polyethylene terephthalate (PET) waste. The bricks specimens were prepared by using 100% natural sand, they were then replaced by RCA at 25%, 50% and 75% with proportions of PET consists of 0.5%, 1.0% and 1.5% by weight of natural sand. Based on the results of compressive strength, only RCA 25% with 0.5% PET achieve lower strength than normal bricks while others showed a high strength. However, all design mix reaches strength more than 7N/mm2 as expected. Besides that, the most favorable mix design that achieves high compressive strength is 75% of RCA with 0.5% PET.

  9. Quantum mechanics: why complex Hilbert space?

    Science.gov (United States)

    Cassinelli, G; Lahti, P

    2017-11-13

    We outline a programme for an axiomatic reconstruction of quantum mechanics based on the statistical duality of states and effects that combines the use of a theorem of Solér with the idea of symmetry. We also discuss arguments favouring the choice of the complex field.This article is part of the themed issue 'Second quantum revolution: foundational questions'. © 2017 The Author(s).

  10. Mechanical properties of hot mix asphalt made with recycled aggregates from reclaimed construction and demolition debris

    Directory of Open Access Journals (Sweden)

    Taibo, J.

    2007-03-01

    Full Text Available The mix design for asphalt mixtures containing recycled aggregates from construction and demolition debris was evaluated. The tests conducted to characterize the mechanical behaviour of these mixtures showed that the mechanical properties of mixtures with recycled and virgin aggregate are similar. The asphalt mixtures containing recycled aggregate proved to have lower resistance to water action. Nonetheless, recycled aggregate was found to be potentially usable in asphalt mixtures if higher quality materials are selected and such low resistance is corrected. This will call for expanding upon the preliminary work described in the present article.En este trabajo se dosificaron mezclas bituminosas fabricadas con áridos reciclados de residuos de construcción y demolición. Se realizaron una serie de ensayos que permitieron caracterizar el comportamiento mecánico de estas mezclas. Los parámetros mecánicos de las mezclas con áridos reciclados son similares a los de las mezclas fabricadas únicamente con áridos naturales de cantera. Sin embargo, las mezclas bituminosas con áridos reciclados tuvieron un mal comportamiento frente a la disminución de la resistencia por pérdida de cohesión por la acción del agua. No obstante, mediante la selección de materiales de mejor calidad y corrección de este mal comportamiento, existen posibilidades de utilizar áridos reciclados en mezclas bituminosas. Para ello será necesario ampliar la primera aproximación realizada en este artículo.

  11. Complexity: a new paradigm for fracture mechanics

    Directory of Open Access Journals (Sweden)

    S. Puzzi

    2009-10-01

    Full Text Available The so-called Complexity Sciences are a topic of fast growing interest inside the scientific community. Actually, researchers did not come to a definition of complexity, since it manifests itself in so many different ways [1]. This field itself is not a single discipline, but rather a heterogeneous amalgam of different techniques of mathematics and science. In fact, under the label of Complexity Sciences we comprehend a large variety of approaches: nonlinear dynamics, deterministic chaos theory, nonequilibrium thermodynamics, fractal geometry, intermediate asymptotics, complete and incomplete similarity, renormalization group theory, catastrophe theory, self-organized criticality, neural networks, cellular automata, fuzzy logic, etc. Aim of this paper is at providing insight into the role of complexity in the field of Materials Science and Fracture Mechanics [2-3]. The presented examples will be concerned with the snap-back instabilities in the structural behaviour of composite structures (Carpinteri [4-6], the occurrence of fractal patterns and selfsimilarity in material damage and deformation of heterogeneous materials, and the apparent scaling on the nominal mechanical properties of disordered materials (Carpinteri [7,8]. Further examples will deal with criticality in the acoustic emissions of damaged structures and with scaling in the time-to-failure (Carpinteri et al. [9]. Eventually, results on the transition towards chaos in the dynamics of cracked beams will be reported (Carpinteri and Pugno [10,11].

  12. Physical mechanism for biopolymers to aggregate and maintain in non-equilibrium states.

    Science.gov (United States)

    Ma, Wen-Jong; Hu, Chin-Kun

    2017-06-08

    Many human or animal diseases are related to aggregation of proteins. A viable biological organism should maintain in non-equilibrium states. How protein aggregate and why biological organisms can maintain in non-equilibrium states are not well understood. As a first step to understand such complex systems problems, we consider simple model systems containing polymer chains and solvent particles. The strength of the spring to connect two neighboring monomers in a polymer chain is controlled by a parameter s with s → ∞ for rigid-bond. The strengths of bending and torsion angle dependent interactions are controlled by a parameter s A with s A  → -∞ corresponding to no bending and torsion angle dependent interactions. We find that for very small s A , polymer chains tend to aggregate spontaneously and the trend is independent of the strength of spring. For strong springs, the speed distribution of monomers in the parallel (along the direction of the spring to connect two neighboring monomers) and perpendicular directions have different effective temperatures and such systems are in non-equilibrium states.

  13. CONSTRUCTION OF AGGREGATE NATIONAL ECONOMIC MODEL WITH DETAILED REPRESENTATION OF THE FOREST COMPLEX

    Directory of Open Access Journals (Sweden)

    Blam Yu. Sh.

    2014-09-01

    Full Text Available Autonomy of the industrial forecasts often exacerbated by the lack of direct connection with the economic forecasts on the macro level. On the other hand it is desirable to simulate the industrial strategy in a fairly high degree of isolation, so that it does not depend at every moment on description of other activities or levels of hierarchy. To study the effects of national economic relations on the development of industrial complex we propose to use a spatial model of the national economy, which describes modalities of the researched industries in more detail. Quantitative parameters, obtained using basic Interregional Cross-sectoral Optimization Model (OMMM against the external development of the industrial complex, are used to form an aggregated model with a detailed representation with unsignificant loss of information. Thus, the above described model is intended to harmonize national economic decisions with forecasts obtained from industry models in real terms. The conversion procedure is based on the properties of the model of «mutual» problems and information from basic OMMM. The final result is a production-transport cost model within a «traditional» industrial structure.

  14. Aggregation mechanism of Pd nanoparticles in L-cysteine aqueous solution studied by NEXAFS and AFM

    International Nuclear Information System (INIS)

    Tsukada, C.; Ogawa, S.; Mizutani, T.; Kutluk, G.; Namatame, H.; Taniguchi, M.; Yagi, S.

    2012-01-01

    Highlight: ► We focus on the biocompatibility of Pd nanoparticles (NPs) for L-cysteine under water environment. ► The Pd NPs have been fabricated and deposited on Si wafer by gas evaporation method. ► When the Pd NPs/Si has been dipped into L-cysteine aqueous solution, the L-cysteine has selectively adsorbed on Pd NPs surface and existed as the L-cysteine thiolate, atomic S and L-cystine. ► Moreover, the aggregation of Pd NPs occurs by the migration of Pd NPs on Si and the cross-linked reaction between L-cysteine thiolate molecules adsorbed on Pd NPs. - Abstract: We focus on the biocompatibility of Pd nanoparticles (NPs) from the point of microscopic view. Thus, as the basic research for the biocompatibility, we have investigated the adsorbates on the Pd NPs surface and the aggregation mechanism for the Pd NPs on Si substrate after dipping into L-cysteine aqueous solution by means of NEXAFS measurement and AFM observation. The Pd NPs have been fabricated and deposited on the Si wafer by the gas evaporation method. Judging from the results of NEXAFS measurement, it is clear that the L-cysteine thiolate and atomic S exist on the Pd NPs surface. The results of AFM observation show that the Pd NPs aggregate. It is thought that the aggregation of the Pd NPs occurs by both the migration of the Pd NPs on Si wafer and the cross-linked reaction.

  15. Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission

    Science.gov (United States)

    Qian, Hai; Cousins, Morgan E.; Horak, Erik H.; Wakefield, Audrey; Liptak, Matthew D.; Aprahamian, Ivan

    2017-01-01

    Although there are some proposed explanations for aggregation-induced emission, a phenomenon with applications that range from biosensors to organic light-emitting diodes, current understanding of the quantum-mechanical origin of this photophysical behaviour is limited. To address this issue, we assessed the emission properties of a series of BF2-hydrazone-based dyes as a function of solvent viscosity. These molecules turned out to be highly efficient fluorescent molecular rotors. This property, in addition to them being aggregation-induced emission luminogens, enabled us to probe deeper into their emission mechanism. Time-dependent density functional theory calculations and experimental results showed that the emission is not from the S1 state, as predicted from Kasha's rule, but from a higher energy (>S1) state. Furthermore, we found that suppression of internal conversion to the dark S1 state by restricting the rotor rotation enhances fluorescence, which leads to the proposal that suppression of Kasha's rule is the photophysical mechanism responsible for emission in both viscous solution and the solid state.

  16. Effect of the LHCII pigment-protein complex aggregation on photovoltaic properties of sensitized TiO2 solar cells.

    Science.gov (United States)

    Yang, Yiqun; Jankowiak, Ryszard; Lin, Chen; Pawlak, Krzysztof; Reus, Michael; Holzwarth, Alfred R; Li, Jun

    2014-10-14

    A modified dye-sensitized solar cell consisting of a thin TiO2 barrier layer sensitized with natural trimeric light-harvesting complex II (LHCII) from spinach was used as a biomimetic model to study the effects of LHCII aggregation on the photovoltaic properties. The aggregation of individual trimers induced molecular reorganization, which dramatically increased the photocurrent. The morphology of small- and large-size LHCII aggregates deposited on a surface was confirmed by atomic force microscopy. Enhanced LHCII immobilization was accomplished via electrostatic interaction with amine-functionalized photoanodes. The photocurrent responses of the assembled solar cells under illumination at three characteristic wavelength bands in the UV-Vis absorption spectra of LHCII solutions confirmed that a significant photocurrent was generated by LHCII photosensitizers. The enhanced photocurrent by large aggregated LHCII is shown to correlate with the quenching in the far-red fluorescence deriving from chlorophyll-chlorophyll charge transfer states that are effectively coupled with the TiO2 surface and thus inject electrons into the TiO2 conduction band. The large aggregated LHCII with more chlorophyll-chlorophyll charge transfer states is a much better sensitizer since it injects electrons more efficiently into the conduction band of TiO2 than the small aggregated LHCII mostly consisting of unquenched chlorophyll excited state. The assembled solar cells demonstrated remarkable stability in both aqueous buffer and acetonitrile electrolytes over 30 days.

  17. Study of mechanical properties and recommendations for the application of waste Bakelite aggregate concrete

    OpenAIRE

    Nopagon Usahanunth; Seree Tuprakay; Waranon Kongsong; Sirawan Ruangchuay Tuprakay

    2018-01-01

    Bakelite waste from industrial manufacturing may be a hazard to the environment and public health. The utilization of waste Bakelite (WB) to replace natural aggregates (NA), such as natural coarse aggregate (NCA) and natural fine aggregate (NFA), in concrete and mortar is an approach for reducing both waste plastic and natural material. This research examines the utilization of waste Bakelite aggregate (WBA) in concrete and mortar mixtures to form waste Bakelite aggregate concrete (WBAC) and ...

  18. Mechanical Properties of High Performance Concrete Containing Waste Plastic as Aggregate

    Directory of Open Access Journals (Sweden)

    Abdulkader Ismail Al-Hadithi

    2015-08-01

    Full Text Available The world's population growth and the increasing demand for new infrastructure facilities and buildings , present us with the vision of a higher resources consumption, specially in the form of more durable concrete such as High Performance Concrete (HPC . Moreover , the growth of the world pollution by plastic waste has been tremendous. The aim of this research is to investigate the change in mechanical properties of HPC with added waste plastics in concrete. For this purpose 2.5%, 5% and 7.5% in volume of natural fine aggregate in the HPC mixes were replaced by an equal volume of Polyethylene Terephthalate (PET waste , got by shredded PET bottles. The mechanical properties (compressive, splitting tensile, and flexural strength evaluated at the ages of (7 ,28, 56 and 91 days while the static modulus of elasticity tested at (28 and 91 days . The results indicated that HPC containing PET-aggregate presented lower compressive strength and static elasticity . The splitting strength displayed an arising trend at the initial stages, however, they have a tendency to decrease after a while. On the other hand, flexural strength results gave better modulus of rapture at all ages of curing , as compared with reference concrete specimens.

  19. Mechanical and Microstructural Evaluations of Lightweight Aggregate Geopolymer Concrete before and after Exposed to Elevated Temperatures.

    Science.gov (United States)

    Abdulkareem, Omar A; Abdullah, Mohd Mustafa Al Bakri; Hussin, Kamarudin; Ismail, Khairul Nizar; Binhussain, Mohammed

    2013-10-09

    This paper presents the mechanical and microstructural characteristics of a lightweight aggregate geopolymer concrete (LWAGC) synthesized by the alkali-activation of a fly ash source (FA) before and after being exposed to elevated temperatures, ranging from 100 to 800 °C. The results show that the LWAGC unexposed to the elevated temperatures possesses a good strength-to-weight ratio compared with other LWAGCs available in the published literature. The unexposed LWAGC also shows an excellent strength development versus aging times, up to 365 days. For the exposed LWAGC to the elevated temperatures of 100 to 800 °C, the results illustrate that the concretes gain compressive strength after being exposed to elevated temperatures of 100, 200 and 300 °C. Afterward, the strength of the LWAGC started to deteriorate and decrease after being exposed to elevated temperatures of 400 °C, and up to 800 °C. Based on the mechanical strength results of the exposed LWAGCs to elevated temperatures of 100 °C to 800 °C, the relationship between the exposure temperature and the obtained residual compressive strength is statistically analyzed and achieved. In addition, the microstructure investigation of the unexposed LWAGC shows a good bonding between aggregate and mortar at the interface transition zone (ITZ). However, this bonding is subjected to deterioration as the LWAGC is exposed to elevated temperatures of 400, 600 and 800 °C by increasing the microcrack content and swelling of the unreacted silicates.

  20. Mechanical Behavior of Recycled Aggregate Concrete-Filled Steel Tubular Columns before and after Fire

    Directory of Open Access Journals (Sweden)

    Wenchao Liu

    2017-03-01

    Full Text Available Recycled aggregate concrete (RAC is an environmentally friendly building material. This paper investigates the mechanical behavior of recycled aggregate concrete filled steel tube (RACFST columns exposed to fire. Two groups of 12 columns were designed and tested, under axial compression, before and after fire, to evaluate the degradation of bearing capacity due to fire exposure. Six specimens were subjected to axial compression tests at room temperature and the other six specimens were subjected to axial compression tests after a fire exposure. The main parameters of the specimens include the wall thickness of the steel tube (steel content and the type of concrete materials. Several parameters as obtained from the experimental results were compared and analyzed, including the load-bearing capacity, deformation capacity, and failure characteristics of the specimens. Meanwhile, rate of loss of bearing capacity of specimens exposed to fire were calculated based on the standards EC4 and CECS28:90. The results show that concrete material has a large influence on the rate of loss of bearing capacity in the case of a relatively lower steel ratio. While steel content has little effect on the rate of loss of bearing capacity of concrete-filled steel tube (CFST columns after fire, it has a relatively large influence on the loss rate of bearing capacity of the RACFST columns. The loss of bearing capacity of the specimens from the experiment is more serious than that from the calculation. As the calculated values are less conservative, particular attention should be given to the application of recycled aggregate concrete in actual structures.

  1. Mechanical Behavior of Recycled Aggregate Concrete-Filled Steel Tubular Columns before and after Fire.

    Science.gov (United States)

    Liu, Wenchao; Cao, Wanlin; Zhang, Jianwei; Wang, Ruwei; Ren, Lele

    2017-03-09

    Recycled aggregate concrete (RAC) is an environmentally friendly building material. This paper investigates the mechanical behavior of recycled aggregate concrete filled steel tube (RACFST) columns exposed to fire. Two groups of 12 columns were designed and tested, under axial compression, before and after fire, to evaluate the degradation of bearing capacity due to fire exposure. Six specimens were subjected to axial compression tests at room temperature and the other six specimens were subjected to axial compression tests after a fire exposure. The main parameters of the specimens include the wall thickness of the steel tube (steel content) and the type of concrete materials. Several parameters as obtained from the experimental results were compared and analyzed, including the load-bearing capacity, deformation capacity, and failure characteristics of the specimens. Meanwhile, rate of loss of bearing capacity of specimens exposed to fire were calculated based on the standards EC4 and CECS28:90. The results show that concrete material has a large influence on the rate of loss of bearing capacity in the case of a relatively lower steel ratio. While steel content has little effect on the rate of loss of bearing capacity of concrete-filled steel tube (CFST) columns after fire, it has a relatively large influence on the loss rate of bearing capacity of the RACFST columns. The loss of bearing capacity of the specimens from the experiment is more serious than that from the calculation. As the calculated values are less conservative, particular attention should be given to the application of recycled aggregate concrete in actual structures.

  2. Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH

    Science.gov (United States)

    Zannotti, Marco; Giovannetti, Rita; Minofar, Babak; Řeha, David; Plačková, Lydie; D'Amato, Chiara A.; Rommozzi, Elena; Dudko, Hanna V.; Kari, Nuerguli; Minicucci, Marco

    2018-03-01

    The effect of pH change on 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine (THPP) with its aggregation as function of water-ethanol mixture was studied with UV-vis, fluorescence, Raman and computational analysis. In neutral pH, THPP was present as free-base and, increasing the water amount, aggregation occurred with the formation of H- and J-aggregates. The aggregation constant and the concentration of dimers were calculated, other information about the dimer aggregation were evaluated by computational study. In acidic pH, by the insertions of two hydrogens in the porphyrin rings, the porphyrin changed its geometry with a ring deformation confirmed by red-shifted spectrum and quenching in fluorescence; at this low pH, increasing the water amount, the acidic form (THPPH2)2 + resulted more stable due to a polar environment with stronger interaction by hydrogen bonding. In basic pH, reached by NH4OH, THPP porphyrin was able to react with alkali metals in order to form sitting-atop complex (M2THPP) confirmed by the typical absorption spectrum of metallo-porphyrin, Raman spectroscopy and by computational analysis.

  3. Aggregation of thrombin-derived C-terminal fragments as a previously undisclosed host defense mechanism

    DEFF Research Database (Denmark)

    Petrlova, Jitka; Hansen, Finja C; van der Plas, Mariena J A

    2017-01-01

    bind to and form amorphous amyloid-like aggregates with both bacterial lipopolysaccharide (LPS) and gram-negative bacteria. In silico molecular modeling using atomic resolution and coarse-grained simulations corroborates our experimental observations, altogether indicating increased aggregation through...

  4. Mechanism for release of arachidonic acid during guinea pig platelet aggregation: a role for the diacylglycerol lipase inhibitor RHC 80267

    International Nuclear Information System (INIS)

    Amin, D.

    1986-01-01

    The mechanism of the release of arachidonic acid from phospholipids after the stimulation of guinea pig platelets with collagen, thrombin and platelet activating factor (PAF) was studied. RHC 80267, a diacylglycerol lipase inhibitor, and indomethacin, a cyclooxygenase inhibitor, were used. Various in vitro assays for enzymes involved in arachidonic acid release and metabolism were conducted. Platelet aggregation and simultaneous release of ADP from platelets were monitored using a Chrono-log Lumiaggregometer. Platelets were labeled with ( 14 C)arachidonic acid to facilitate sensitive determination of small changes in platelet phospholipids during platelet aggregation. In the present investigation it is shown that collagen, thrombin and PAF increased phospholipase C activity. It was also discovered that cyclooxygenase products were responsible for further stimulation (a positive feed-back) of phospholipase C activity, while diacylglycerol provided a negative feed-back control over receptor-stimulated phospholipase C activity and inhibited ADP release. The guinea pig platelet is an ideal model to study phospholipase C-diacylglycerol lipase pathway for the release of arachidonic acid from platelet phospholipids because it does not have any phospholipase A 2 activity. It was observed that cyclooxygenase products were responsible for collagen-induced guinea pig platelet aggregation. Indomethacin completely inhibited collagen-induced platelet aggregation, was less effective against thrombin, and had no effect on PAF-induced platelet aggregation. On the other hand, RHC 80267 was a powerful inhibitor of aggregation and ADP release induced by all three of these potent aggregating agents

  5. Mechanical and Physical Properties of Hydrophobized Lightweight Aggregate Concrete with Sewage Sludge.

    Science.gov (United States)

    Suchorab, Zbigniew; Barnat-Hunek, Danuta; Franus, Małgorzata; Łagód, Grzegorz

    2016-04-27

    This article is focused on lightweight aggregate-concrete modified by municipal sewage sludge and lightweight aggregate-concrete obtained from light aggregates. The article presents laboratory examinations of material physical parameters. Water absorptivity of the examined material was decreased by the admixture of water emulsion of reactive polysiloxanes. Water transport properties were determined using Time Domain Reflectometry, an indirect technique for moisture detection in porous media. Together with basic physical parameters, the heat conductivity coefficient λ was determined for both types of lightweight aggregate-concrete. Analysis of moisture and heat properties of the examined materials confirmed the usefulness of light aggregates supplemented with sewage sludge for prospective production.

  6. MECHANISM OF FINANCIAL SAFETY FORMATION OF ENTERPRISES OF AGROINDUSTRIAL COMPLEX

    Directory of Open Access Journals (Sweden)

    Aleksandr Khomenko

    2016-11-01

    Full Text Available The purpose of work is research of essence of mechanism of forming of financial safety of subjects of agro-industrial complex as to the economic category. Basic financial interests of business entity and financial tasks are certain for their achievement. Considered organization of forming of financial safety of enterprises of agroindustrial complex and offered the measures of realization of the effective system of defence of subjects. The system of financial safety is directed foremost on providing of the own functioning, however, it is necessary to underline that at the same time it is a component part, both at the level of structural subdivisions of subject and at the level of industry, region, state. Financial safety of agrarian sphere is the important constituent of economic security of the state, which acquires an important value for further development of country. Methodology. Methodological basis of the article are methods of scientific cognition, which enable to expose basic conformities to law of development of the probed phenomena and processes, their key problems and priority ways of decision. Such methods are in particular used: analysis and synthesis – during research of constituents of economic security of agricultural enterprises, in particular such as financial safety, and to their aggregate on the whole; systematizations – for dismemberment and more rich in content understanding of essence of the separate probed phenomena and processes; to scientific abstraction – with the purpose of forming of theoretical generalizations and conclusions. A research result is opening of mechanism of financial safety forming of agro-industrial enterprises on the modern stage of socio-economic development of Ukraine. The offered model of strategic prognostication has for an object development of strategy of forming of financial safety of enterprises of agro-industrial complex. Such strategy must avouch for financial prospects enterprises, to

  7. Quantum mechanical studies of complex ferroelectric perovskites

    Science.gov (United States)

    Ramer, Nicholas John

    In many electronic device applications, there is a need to interconvert electrical energy and other types of energy. Ferroelectric materials, which possess a voltage-dependent polarization, can enable this energy conversion process. Because of the broad interest in ferroelectric materials for these devices, there is a critical research effort, both experimental and theoretical, to understand these materials and aid in the development of materials with improved properties. This thesis presents detailed quantum mechanical investigations of the behavior of a complex ferroelectric perovskite under applied stress. In particular, we have chosen to study the solid solution PbZr1-xTix O3 (PZT). Since the study of ferroelectricity involves understanding both its structural and electronic signatures in materials, it has necessitated the development of a novel theoretical technique which improves the accuracy of the pseudopotentials used in our density functional theory calculations as well as a new method for constructing three-dimensional atomistic responses to small amounts of external stress. To examine the material's behavior under larger amounts of stress, we have studied the behavior of a composition of PZT lying near a structural phase boundary. On either side of the phase boundary, the material is characterized by a different polarization direction and may easily be switched between phases by applying external stress. In addition to stress-induced phase transitions, most ferroelectric materials also have composition dependent phase boundaries. Since different compositions of PZT would require increased computational effort, we have formulated an improved virtual crystal approach that makes tractable the study of the entire composition range. Using this method, we have been able to show for the first time via first-principles calculations, a composition dependent phase transition in a ferroelectric material. This thesis has accomplished three important goals: new

  8. Fresh and mechanical properties of self-compacting concrete with coarse aggregate replacement using Waste of Oil Palm Shell

    Science.gov (United States)

    Prayuda, Hakas; Saleh, Fadillawaty; Ilham Maulana, Taufiq; Monika, Fanny

    2018-05-01

    Self-compacting Concrete (SCC) is a real innovation that can solidify itself without the help of tools to ease field practice. In its implementation, SCC can use alternative materials to reduce waste, such as Oil Palm Shell (OPS). In this research, OPS used as a replacement of crushed stone as the main coarse aggregate. The concrete mixture used consists of cement, sand, crushed stone, OPS as a variation of aggregate substitutes, palm oil fuel ash, and superplasticizer. OPS used were variated with 0%, 5%, 10%, 25% and 50% of crushed stone aggregate weight with age up to 28 days. Tests were conducted on fresh and mechanical properties. From the results, it is known that replacement of aggregate using OPS meets fresh properties criteria and although the compressive strength of OPS concrete mixture is lower than normal SCC, OPS still can be an alternative in making SCC and reducing palm oil industrial waste.

  9. Resolving the paradox for protein aggregation diseases: a common mechanism for aggregated proteins to initially attack membranes without needing aggregates [v1; ref status: indexed, http://f1000r.es/221

    Directory of Open Access Journals (Sweden)

    Haina Qin

    2013-10-01

    Full Text Available Paradoxically, aggregation of specific proteins is characteristic of many human diseases and aging, yet aggregates have been found to be unnecessary for initiating pathogenesis. Here we determined the NMR topology and dynamics of a helical mutant in a membrane environment transformed from the 125-residue cytosolic all-β MSP by the ALS-causing P56S mutation. Unexpectedly, despite its low hydrophobicity, the P56S major sperm protein (MSP domain becomes largely embedded in the membrane environment with high backbone rigidity. Furthermore it is composed of five helices with amphiphilicity comparable to those of the partly-soluble membrane toxin mellitin and α-synuclein causing Parkinson's disease. Consequently, the mechanism underlying this chameleon transformation becomes clear: by disrupting the specific tertiary interaction network stabilizing the native all-β MSP fold to release previously-locked amphiphilic segments, the P56S mutation acts to convert the classic MSP fold into a membrane-active protein that is fundamentally indistinguishable from mellitin and α-synuclein which are disordered in aqueous solution but spontaneously partition into membrane interfaces driven by hydrogen-bond energetics gained from forming α-helix in the membrane environments. As segments with high amphiphilicity exist in all proteins, our study successfully resolves the paradox by deciphering that the proteins with a higher tendency to aggregate have a stronger potential to partition into membranes through the same mechanism as α-synuclein to initially attack membranes to trigger pathogenesis without needing aggregates. This might represent the common first step for various kinds of aggregated proteins to trigger familiar, sporadic and aging diseases. Therefore the homeostasis of aggregated proteins in vivo is the central factor responsible for a variety of human diseases including aging. The number and degree of the membrane attacks by aggregated proteins may

  10. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang, E-mail: howesiang@ntu.edu.sg [Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Akhtar, Parveen; Garab, Győző; Lambrev, Petar H., E-mail: lambrev@brc.hu [Institute of Plant Biology, Biological Research Centre, Hungarian Academy of Sciences, P.O. Box 521, H-6701 Szeged (Hungary)

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

  11. The HSPB8-BAG3 chaperone complex is upregulated in astrocytes in the human brain affected by protein aggregation diseases.

    Science.gov (United States)

    Seidel, K; Vinet, J; Dunnen, W F A den; Brunt, E R; Meister, M; Boncoraglio, A; Zijlstra, M P; Boddeke, H W G M; Rüb, U; Kampinga, H H; Carra, S

    2012-02-01

    HSPB8 is a small heat shock protein that forms a complex with the co-chaperone BAG3. Overexpression of the HSPB8-BAG3 complex in cells stimulates autophagy and facilitates the clearance of mutated aggregation-prone proteins, whose accumulation is a hallmark of many neurodegenerative disorders. HSPB8-BAG3 could thus play a protective role in protein aggregation diseases and might be specifically upregulated in response to aggregate-prone protein-mediated toxicity. Here we analysed HSPB8-BAG3 expression levels in post-mortem human brain tissue from patients suffering of the following protein conformation disorders: Alzheimer's disease, Parkinson's disease, Huntington's disease and spinocerebellar ataxia type 3 (SCA3). Western blotting and immunohistochemistry techniques were used to analyse HSPB8 and BAG3 expression levels in fibroblasts from SCA3 patients and post-mortem brain tissues, respectively. In all diseases investigated, we observed a strong upregulation of HSPB8 and a moderate upregulation of BAG3 specifically in astrocytes in the cerebral areas affected by neuronal damage and degeneration. Intriguingly, no significant change in the HSPB8-BAG3 expression levels was observed within neurones, irrespective of their localization or of the presence of proteinaceous aggregates. We propose that the upregulation of HSPB8 and BAG3 may enhance the ability of astrocytes to clear aggregated proteins released from neurones and cellular debris, maintain the local tissue homeostasis and/or participate in the cytoskeletal remodelling that astrocytes undergo during astrogliosis. © 2011 The Authors. Neuropathology and Applied Neurobiology © 2011 British Neuropathological Society.

  12. Aggregation of soy protein-isoflavone complexes and gel formation induced by glucono-δ-lactone in soymilk

    Science.gov (United States)

    Hsia, Sheng-Yang; Hsiao, Yu-Hsuan; Li, Wen-Tai; Hsieh, Jung-Feng

    2016-10-01

    This study investigated the glucono-δ-lactone (GDL)-induced aggregation of isoflavones and soy proteins in soymilk. High-performance liquid chromatography (HPLC) analysis indicated that isoflavones mixed with β-conglycinin (7S) and glycinin (11S) proteins formed 7S-isoflavone and 11S-isoflavone complexes in soymilk supernatant fraction (SSF). Most of the soy protein-isoflavone complexes then precipitated into the soymilk pellet fraction (SPF) following the addition of 4 mM GDL, whereupon the pH value of the soymilk dropped from 6.6 to 5.9. Sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) and HPLC analysis suggest that the addition of 4 mM GDL induced the aggregation of most 7S (α’, α and β subunits), 11S acidic and 11S basic proteins as well as isoflavones, including most aglycones, including daidzein, glycitein, genistein and a portion of glucosides, including daidzin, glycitin, genistin, malonyldaidzin and malonylgenistin. These results provide an important reference pertaining to the effects of GDL on the aggregation of soy protein-isoflavone complexes and could benefit future research regarding the production of tofu from soymilk.

  13. Mechanical properties of hot bituminous mixes manufactured with recycled aggregate of Silestone® waste

    Directory of Open Access Journals (Sweden)

    Rubio, M. C.

    2011-03-01

    Full Text Available This article presents the results of a research project which analyzes the viability of incorporating waste material from decorative quartz solid surfacing in the manufacture of hot bituminous mixes. For this purpose, various bituminous mixes were manufactured with waste aggregate in different percentage. A set of tests were carried out that permitted the characterization of the mechanical behavior of these mixes. The results of these tests were similar to the results obtained when conventional mixes made from virgin quarry aggregate were tested. The results for moisture sensitivity as well as for wheel track rutting on mixes showed the optimal performance of this waste material even under very demanding traffic conditions. Laboratory studies showed that the use of this waste material in the manufacture of bituminous mixes is technically viable and can provide high-quality recycled aggregates at a very low cost, which can be used in the pavement of road.

    Este artículo muestra los resultados de un proyecto de investigación que tiene por objeto analizar la viabilidad de incorporación de residuos procedentes de piedra decorativa en la fabricación de mezclas bituminosas en caliente. Para ello se fabricaron mezclas con áridos reciclados de residuos procedentes de piedra decorativa en distintos porcentajes, realizando un conjunto de ensayos que posibilitaron caracterizar el comportamiento mecánico de dichas mezclas. Los resultados obtenidos fueron similares a los de las mezclas convencionales fabricadas con áridos vírgenes procedentes de cantera. Los valores de resistencia conservada ante la acción del agua y deformación en pista, pusieron de manifiesto la aptitud del residuo incluso ante las condiciones de tráfico más exigentes. Los trabajos realizados en el laboratorio indican que la utilización del residuo en la fabricación de mezclas bituminosas es técnicamente viable, pudiendo obtenerse áridos reciclados de gran calidad y

  14. Influence of silica fume on mechanical and physical properties of recycled aggregate concrete

    OpenAIRE

    Çakır, Özgür; Sofyanlı, Ömer Özkan

    2015-01-01

    Several studies related to sustainable concrete construction have encouraged development of composite binders, involving Portland cement, industrial by-products, and concrete mixes with partial replacement of natural aggregate with recycled aggregate. In this paper, the effects of incorporating silica fume (SF) in the concrete mix design to improve the quality of recycled aggregates in concrete are presented. Portland cement was replaced with SF at 0%, 5% and 10%. Specimens were manufactured ...

  15. The influence of phthalocyanine aggregation in complexes with CdSe/ZnS quantum dots on the photophysical properties of the complexes

    Directory of Open Access Journals (Sweden)

    Irina V. Martynenko

    2016-07-01

    Full Text Available The formation of nonluminescent aggregates of aluminium sulfonated phthalocyanine in complexes with CdSe/ZnS quantum dots causes a decrease of the intracomplex energy transfer efficiency with increasing phthalocyanine concentration. This was confirmed by steady-state absorption and photoluminescent spectroscopy. A corresponding physical model was developed that describes well the experimental data. The results can be used at designing of QD/molecule systems with the desired spatial arrangement for photodynamic therapy.

  16. The influence of the coarse aggregates from different mineralogy on the mechanical properties of the high-performance concrete

    International Nuclear Information System (INIS)

    Magalhaes, A.G.; Calixto, J.M.; Franca, E.P.; Aguilar, M.T.P.; Vasconcelos, W.L.

    2006-01-01

    Concrete in normal conditions is a versatile and strong construction material. However under certain environmental conditions it may deteriorate in a short period of time. This fact has led researchers in recent times to develop the high-performance concrete. In this scenario, the aim of this paper is to present the effects of the different types of coarse aggregate on the mechanical properties of high performance concrete. Limestone, granite, gneiss and basalt were used as coarse aggregates. Their characterization consisted of chemical analysis, x-ray diffraction and optical microscopy. The compressive strength and the modulus of elasticity were the investigated mechanical properties. The test results indicate expressively the better performance of the concretes fabricated with basalt, granite and gneiss aggregates. (author)

  17. The influence of complex compost on the aggregate composition and water and air properties of an ordinary chernozem

    Science.gov (United States)

    Belyuchenko, I. S.; Antonenko, D. A.

    2015-07-01

    The influence of complex compost composed of the waste products of the agriculture (semi-rotted cattle manure and plant residues) and chemical industries (phosphogypsum) on the agrophysical properties of an ordinary chernozem (Haplic Chernozem) was studied in the western Ciscaucasian region. In the field experiment, the compost was applied to the plow layer (0-20 cm) in 2007. In five years, the content of agronomically valuable aggregates increased by 7-9%, and their water stability became higher. This resulted in a better aggregation of the plow layer; its bulk density decreased by about 0.1 g/cm3 in comparison with the control plot treated with mineral fertilizers according to traditional technology. The water and air properties of the soil were optimized, which was seen from an increase in the field and total water capacity, total porosity, and soil water storage.

  18. Characterization of Mechanical and Bactericidal Properties of Cement Mortars Containing Waste Glass Aggregate and Nanomaterials

    Directory of Open Access Journals (Sweden)

    Pawel Sikora

    2016-08-01

    Full Text Available The recycling of waste glass is a major problem for municipalities worldwide. The problem concerns especially colored waste glass which, due to its low recycling rate as result of high level of impurity, has mostly been dumped into landfills. In recent years, a new use was found for it: instead of creating waste, it can be recycled as an additive in building materials. The aim of the study was to evaluate the possibility of manufacturing sustainable and self-cleaning cement mortars with use of commercially available nanomaterials and brown soda-lime waste glass. Mechanical and bactericidal properties of cement mortars containing brown soda-lime waste glass and commercially available nanomaterials (amorphous nanosilica and cement containing nanocrystalline titanium dioxide were analyzed in terms of waste glass content and the effectiveness of nanomaterials. Quartz sand is replaced with brown waste glass at ratios of 25%, 50%, 75% and 100% by weight. Study has shown that waste glass can act as a successful replacement for sand (up to 100% to produce cement mortars while nanosilica is incorporated. Additionally, a positive effect of waste glass aggregate for bactericidal properties of cement mortars was observed.

  19. Characterization of Mechanical and Bactericidal Properties of Cement Mortars Containing Waste Glass Aggregate and Nanomaterials

    Science.gov (United States)

    Sikora, Pawel; Augustyniak, Adrian; Cendrowski, Krzysztof; Horszczaruk, Elzbieta; Rucinska, Teresa; Nawrotek, Pawel; Mijowska, Ewa

    2016-01-01

    The recycling of waste glass is a major problem for municipalities worldwide. The problem concerns especially colored waste glass which, due to its low recycling rate as result of high level of impurity, has mostly been dumped into landfills. In recent years, a new use was found for it: instead of creating waste, it can be recycled as an additive in building materials. The aim of the study was to evaluate the possibility of manufacturing sustainable and self-cleaning cement mortars with use of commercially available nanomaterials and brown soda-lime waste glass. Mechanical and bactericidal properties of cement mortars containing brown soda-lime waste glass and commercially available nanomaterials (amorphous nanosilica and cement containing nanocrystalline titanium dioxide) were analyzed in terms of waste glass content and the effectiveness of nanomaterials. Quartz sand is replaced with brown waste glass at ratios of 25%, 50%, 75% and 100% by weight. Study has shown that waste glass can act as a successful replacement for sand (up to 100%) to produce cement mortars while nanosilica is incorporated. Additionally, a positive effect of waste glass aggregate for bactericidal properties of cement mortars was observed. PMID:28773823

  20. The Physics of Protoplanetesimal Dust Agglomerates. IX. Mechanical Properties of Dust Aggregates Probed by a Solid-projectile Impact

    Science.gov (United States)

    Katsuragi, Hiroaki; Blum, Jürgen

    2017-12-01

    Dynamic characterization of mechanical properties of dust aggregates has been one of the most important problems to quantitatively discuss the dust growth in protoplanetary disks. We experimentally investigate the dynamic properties of dust aggregates by low-speed (≤slant 3.2 m s-1) impacts of solid projectiles. Spherical impactors made of glass, steel, or lead are dropped onto a dust aggregate with a packing fraction of ϕ = 0.35 under vacuum conditions. The impact results in cratering or fragmentation of the dust aggregate, depending on the impact energy. The crater shape can be approximated by a spherical segment and no ejecta are observed. To understand the underlying physics of impacts into dust aggregates, the motion of the solid projectile is acquired by a high-speed camera. Using the obtained position data of the impactor, we analyze the drag-force law and dynamic pressure induced by the impact. We find that there are two characteristic strengths. One is defined by the ratio between impact energy and crater volume and is ≃120 kPa. The other strength indicates the fragmentation threshold of dynamic pressure and is ≃10 kPa. The former characterizes the apparent plastic deformation and is consistent with the drag force responsible for impactor deceleration. The latter corresponds to the dynamic tensile strength to create cracks. Using these results, a simple model for the compaction and fragmentation threshold of dust aggregates is proposed. In addition, the comparison of drag-force laws for dust aggregates and loose granular matter reveals the similarities and differences between the two materials.

  1. Influence of Waste Brick Powder in the Mechanical Properties of Recycled Aggregate Concrete

    Directory of Open Access Journals (Sweden)

    Viviana Letelier

    2018-03-01

    Full Text Available Brick and concrete are the main materials contributing to demolition and construction waste. Considering this precedent, the effects of using both residuals in medium strength concretes are analyzed. Waste brick powder is used as a cement replacement in three different levels: 5%, 10%, and 15%, and it is tested in concretes with no recycled aggregates and concretes with 30% of recycled coarse aggregates replacing natural ones. The compressive strength, the flexural strength, and modulus of elasticity are calculated and compared to a control concrete with no brick powder and no recycled aggregates. The effects of the simultaneous use of both residuals on the physical properties of the recycled concrete are highlighted. Results show that 15% of cement can be replaced by waste brick powder together with 30% of recycled aggregates without suffering significant losses in the strength of the final material when compared to a control concrete.

  2. Modification of C Terminus Provides New Insights into the Mechanism of alpha-Synuclein Aggregation

    Czech Academy of Sciences Publication Activity Database

    Afitska, Kseniia; Fučíková, A.; Shvadchak, Volodymyr V.; Yushchenko, Dmytro A.

    2017-01-01

    Roč. 113, č. 10 (2017), s. 2182-2191 ISSN 0006-3495 Institutional support: RVO:61388963 Keywords : alpha-synuclein * aggregation * kinetics Subject RIV: BO - Biophysics OBOR OECD: Biophysics Impact factor: 3.656, year: 2016

  3. Quantum mechanical calculations on weakly interacting complexes

    NARCIS (Netherlands)

    Heijmen, T.G.A.

    1998-01-01

    Symmetry-adapted perturbation theory (SAPT) has been applied to compute the intermolecular potential energy surfaces and the interaction-induced electrical properties of weakly interacting complexes. Asymptotic (large R) expressions have been derived for the contributions to the collision-induced

  4. Understanding the mechanical and acoustical characteristics of sand aggregates compacting under triaxial conditions

    Science.gov (United States)

    Hangx, Suzanne; Brantut, Nicolas

    2016-04-01

    Mechanisms such as grain rearrangement, coupled with elastic deformation, grain breakage, grain rearrangement, grain rotation, and intergranular sliding, play a key role in determining porosity and permeability reduction during burial of clastic sediments. Similarly, in poorly consolidated, highly porous sands and sandstones, grain rotation, intergranular sliding, grain failure, and pore collapse often lead to significant reduction in porosity through the development of compaction bands, with the reduced porosity and permeability of such bands producing natural barriers to flow within reservoir rocks. Such time-independent compaction processes operating in highly porous water- and hydrocarbon-bearing clastic reservoirs can exert important controls on production-related reservoir deformation, subsidence, and induced seismicity. We performed triaxial compression experiments on sand aggregates consisting of well-rounded Ottawa sand (d = 300-400 μm; φ = 36.1-36.4%) at room temperature, to systematically investigate the effect of confining pressure (Pceff = 5-100 MPa), strain rate (10-6-10-4 s-1) and chemical environment (decane vs. water; Pf = 5 MPa) on compaction. For a limited number of experiments grain size distribution (d = 180-500 μm) and grain shape (subangular Beaujean sand; d = 180-300 μm) were varied to study their effect. Acoustic emission statistics and location, combined with microstructural and grain size analysis, were used to verify the operating microphysical compaction mechanisms. All tests showed significant pre-compaction during the initial hydrostatic (set-up) phase, with quasi-elastic loading behaviour accompanied by permanent deformation during the differential loading stage. This permanent volumetric strain involved elastic grain contact distortion, particle rearrangement, and grain failure. From the acoustic data and grain size analysis, it was evident that at low confining pressure grain rearrangement controlled compaction, with grain

  5. Computational study of aggregation mechanism in human lysozyme[D67H].

    Directory of Open Access Journals (Sweden)

    Dharmeshkumar Patel

    Full Text Available Aggregation of proteins is an undesired phenomena that affects both human health and bioengineered products such as therapeutic proteins. Finding preventative measures could be facilitated by a molecular-level understanding of dimer formation, which is the first step in aggregation. Here we present a molecular dynamics (MD study of dimer formation propensity in human lysozyme and its D67H variant. Because the latter protein aggregates while the former does not, they offer an ideal system for testing the feasibility of the proposed MD approach which comprises three stages: i partially unfolded conformers involved in dimer formation are generated via high-temperature MD simulations, ii potential dimer structures are searched using docking and refined with MD, iii free energy calculations are performed to find the most stable dimer structure. Our results provide a detailed explanation for how a single mutation (D67H turns human lysozyme from non-aggregating to an aggregating protein. Conversely, the proposed method can be used to identify the residues causing aggregation in a protein, which can be mutated to prevent it.

  6. Classical and quantum mechanics of complex Hamiltonian systems ...

    Indian Academy of Sciences (India)

    Vol. 73, No. 2. — journal of. August 2009 physics pp. 287–297. Classical and quantum mechanics of complex. Hamiltonian systems: An extended complex phase space ... 1Department of Physics, Ramjas College (University Enclave), University of Delhi,. Delhi 110 ... 1.1 Motivation behind the study of complex Hamiltonians.

  7. Numerical Simulation for Mechanical Behavior of Asphalt Pavement with Graded Aggregate Base

    Directory of Open Access Journals (Sweden)

    Dongliang He

    2018-01-01

    Full Text Available The performance of asphalt pavement is determined by the combination of its material properties, road structure, and loading configurations. A DEM numerical simulation study was conducted to determine stress distribution and deformation behavior of asphalt pavement with graded aggregate base under standard traffic loading. Stress contour and displacement contour were presented via a self-made program. Compressive stress concentrated area located in both sides of wheel, while tensile stress concentrated area appeared in lower part of the asphalt layer. The traffic loading transferred downward by graded aggregate base and to both sides at the same time, and has a trend to expand gradually with increasing depth within graded aggregate base. Therefore, stress was well distributed in the subgrade soil layer with a great action scope, and the value decreased obviously because of the stress dispersion of graded aggregate base. Vertical displacement was the main displacement of the asphalt layer, and on the both sides of traffic loading, displacement was downward and inclined slightly to the central of loading. Vertical and horizontal deformations included in both graded aggregate base layers, and displacement extended to both sides gradually with increasing depth corresponding to stress-distribution trends. Vertical displacement was dominated in the subgrade soil layer which was relatively small.

  8. Microstructure and mechanical properties of recycled aggregate concrete in seawater environment.

    Science.gov (United States)

    Yue, Pengjun; Tan, Zhuoying; Guo, Zhiying

    2013-01-01

    This study aims to conduct research about the microstructure and basic properties of recycled aggregate concrete under seawater corrosion. Concrete specimens were fabricated and tested with different replacement percentages of 0%, 30%, and 60% after immersing in seawater for 4, 8, 12, and 16 months, respectively. The basic properties of recycled aggregate concrete (RAC) including the compressive strength, the elastic modulus, and chloride penetration depth were explicitly investigated. And the microstructure of recycled concrete aggregate (RCA) was revealed to find the seawater corrosion by using scanning electron microscope (SEM). The results showed that higher amount of the RCA means more porosity and less strength, which could lower both the compressive strength and resistance to chloride penetration. This research could be a guide in theoretical and numerical analysis for the design of RAC structures.

  9. Identification and characterization of multiple emissive species in aggregated minor antenna complexes

    Czech Academy of Sciences Publication Activity Database

    Wahadoszamen, M.; Belgio, Erica; Rahman, M.A.; Ara, A.M.; Ruban, A.V.; van Grondelle, R.

    2016-01-01

    Roč. 1857, č. 12 (2016), s. 1917-1924 ISSN 0005-2728 Institutional support: RVO:61388971 Keywords : Light harvesting * Minor antenna complexes * Photoprotective energy dissipation Subject RIV: EE - Microbiology, Virology Impact factor: 4.932, year: 2016

  10. Two statistical mechanics aspects of complex networks

    Science.gov (United States)

    Thurner, Stefan; Biely, Christoly

    2006-12-01

    By adopting an ensemble interpretation of non-growing rewiring networks, network theory can be reduced to a counting problem of possible network states and an identification of their associated probabilities. We present two scenarios of how different rewirement schemes can be used to control the state probabilities of the system. In particular, we review how by generalizing the linking rules of random graphs, in combination with superstatistics and quantum mechanical concepts, one can establish an exact relation between the degree distribution of any given network and the nodes’ linking probability distributions. In a second approach, we control state probabilities by a network Hamiltonian, whose characteristics are motivated by biological and socio-economical statistical systems. We demonstrate that a thermodynamics of networks becomes a fully consistent concept, allowing to study e.g. ‘phase transitions’ and computing entropies through thermodynamic relations.

  11. Mechanics, microstructure and AMS evolution of a synthetic porphyritic calcite aggregate deformed in torsion

    Czech Academy of Sciences Publication Activity Database

    Marques, F. O.; Machek, Matěj; Roxerová, Zuzana; Burg, J.-P.; Almqvist, B. S. G.

    2015-01-01

    Roč. 655, August (2015), s. 41-57 ISSN 0040-1951 Institutional support: RVO:67985530 Keywords : experimental rock deformation * porphyritic calcite aggregate * EBSD and plastic deformation Subject RIV: DB - Geology ; Mineralogy Impact factor: 2.650, year: 2015

  12. Photodamaging mechanisms of the eye structure: the aggregates appearance at UV-illumination of lens proteins

    International Nuclear Information System (INIS)

    El'chaninov, V.V.; Fedorovich, I.B.

    1989-01-01

    UV-light injury of individual crystallines (water soluble proteins of the cattle eye crystalline lens) were studied by SDS PSSG technique. Photodamage resulted in olygomer formation. The appearance of high molecular aggregates with the molecular mass as large as 10 5 D were seen in all fractions of the crystalline

  13. The Modeling of Coupled Electromagnetic-Thermo-Mechanical Laser Interactions and Microstructural Behavior of Energetic Aggregates

    Science.gov (United States)

    2015-01-01

    analytical Beer - Lambert absorption profile to model laser heating of pure energetic crystals without considering any EM wave propagation effects...temperature. These aggregates were studied using both an analytical distribution for laser heating following Beer - Lambert absorption and the full EM finite...surface (ysurface - y) and material absorption coefficient, α, following a Beer - Lambert absorption relation given by , = !()

  14. From Aggregation to Interpretation: How Assessors Judge Complex Data in a Competency-Based Portfolio

    Science.gov (United States)

    Oudkerk Pool, Andrea; Govaerts, Marjan J. B.; Jaarsma, Debbie A. D. C.; Driessen, Erik W.

    2018-01-01

    While portfolios are increasingly used to assess competence, the validity of such portfolio-based assessments has hitherto remained unconfirmed. The purpose of the present research is therefore to further our understanding of how assessors form judgments when interpreting the complex data included in a competency-based portfolio. Eighteen…

  15. Specific effect of the linear charge density of the acid polysaccharide on thermal aggregation/ disaggregation processes in complex carrageenan/lysozyme systems

    NARCIS (Netherlands)

    Antonov, Y.; Zhuravleva, I.; Cardinaels, R.M.; Moldenaers, P.

    2017-01-01

    We study thermal aggregation and disaggregation processes in complex carrageenan/lysozyme systems with a different linear charge density of the sulphated polysaccharide. To this end, we determine the temperature dependency of the turbidity and the intensity size distribution functions in complex

  16. Analysis of Geological, Mechanical and Characteristics of Aggregates Used in Tailings Ponds

    Directory of Open Access Journals (Sweden)

    G. Ertugrul

    2017-01-01

    Full Text Available Increasing social demand, economic developments, consumption fluctuations, urbanization, industrialization, modernization, population growth and technical needs have resulted due toincrease in the production of natural resources throughout the world. However, there is a less importance focused on the environmental regulations. Waste water is one of the environmental problemsthatmining activities may cause. It contains a lot of solid and liquid contaminants.Aggregatesare found among the most abundant ones in natural resources. They are obtained from river basins, sea and lake edges, quarries and industries as by products and waste. During mining activities or terminated mining activities, these materials are used in the creation of stability, impermeability and settlement of tailings dam. In this paper, construction of tailings pond by using aggregates are given in detail together with their classification, particle stability, particle shape, particle size, particle texture, covered in minerals of particle, particle porosity and trending to chemical reactivity of aggregates.

  17. Physical-biological coupling induced aggregation mechanism for the formation of high biomass red tides in low nutrient waters.

    Science.gov (United States)

    Lai, Zhigang; Yin, Kedong

    2014-01-01

    Port Shelter is a semi-enclosed bay in northeast Hong Kong where high biomass red tides are observed to occur frequently in narrow bands along the local bathymetric isobars. Previous study showed that nutrients in the Bay are not high enough to support high biomass red tides. The hypothesis is that physical aggregation and vertical migration of dinoflagellates appear to be the driving mechanism to promote the formation of red tides in this area. To test this hypothesis, we used a high-resolution estuarine circulation model to simulate the near-shore water dynamics based on in situ measured temperature/salinity profiles, winds and tidal constitutes taken from a well-validated regional tidal model. The model results demonstrated that water convergence occurs in a narrow band along the west shore of Port Shelter under a combined effect of stratified tidal current and easterly or northeasterly wind. Using particles as dinoflagellate cells and giving diel vertical migration, the model results showed that the particles aggregate along the convergent zone. By tracking particles in the model predicted current field, we estimated that the physical-biological coupled processes induced aggregation of the particles could cause 20-45 times enhanced cell density in the convergent zone. This indicated that a high cell density red tide under these processes could be initialized without very high nutrients concentrations. This may explain why Port Shelter, a nutrient-poor Bay, is the hot spot for high biomass red tides in Hong Kong in the past 25 years. Our study explains why red tide occurrences are episodic events and shows the importance of taking the physical-biological aggregation mechanism into consideration in the projection of red tides for coastal management. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Classical and quantum mechanics of complex Hamiltonian systems

    Indian Academy of Sciences (India)

    Certain aspects of classical and quantum mechanics of complex Hamiltonian systems in one dimension investigated within the framework of an extended complex phase space approach, characterized by the transformation = 1 + 2, = 1 + 2, are revisited. It is argued that Carl Bender inducted P T symmetry in ...

  19. Towards General Temporal Aggregation

    DEFF Research Database (Denmark)

    Boehlen, Michael H.; Gamper, Johann; Jensen, Christian Søndergaard

    2008-01-01

    associated with the management of temporal data. Indeed, temporal aggregation is complex and among the most difficult, and thus interesting, temporal functionality to support. This paper presents a general framework for temporal aggregation that accommodates existing kinds of aggregation, and it identifies...

  20. X-ray studies on crystalline complexes involving amino acids and peptides. XXXII. Effect of chirality on ionisation state, stoichiometry and aggregation in the complexes of oxalic acid with DL- and L-lysine.

    Science.gov (United States)

    Venkatraman, J; Prabu, M M; Vijayan, M

    1997-08-01

    Crystals of the oxalic acid complex of DL-lysine (triclinic P1; a = 5.540(1), b = 10.764(2), c = 12.056(2) A, alpha = 77.8(1), beta = 80.6(1), gamma = 75.6(1).; R = 4.7% for 2023 observed reflections) contain lysine and semioxalate ions in the 1:1 ratio, whereas the ratio of lysine and semioxalate/oxalate ions is 2:3 in the crystals of the L-lysine complex (monoclinic P2(1); alpha = 4.906(1), b = 20.145(4), c = 12.455(1) A, beta = 92.5(1).; R = 4.4% for 1494 observed reflections). The amino acid molecule in the L-lysine complex has an unusual ionisation state with positively charged alpha- and side-chain amino groups and a neutral carboxyl group. The unlike molecules aggregate into separate alternating layers in the DL-lysine complex in a manner similar to that observed in several of the amino acid complexes. The L-lysine complex exhibits a new aggregation pattern which cannot be easily explained in terms of planar features, thus emphasizing the fundamental dependence of aggregation on molecular characteristics. Despite the differences in stoichiometry, ionisation state and long-range aggregation patterns, the basic element of aggregation in the two complexes exhibits considerable similarity.

  1. A Fuzzy Collusive Attack Detection Mechanism for Reputation Aggregation in Mobile Social Networks: A Trust Relationship Based Perspective

    Directory of Open Access Journals (Sweden)

    Bo Zhang

    2016-01-01

    Full Text Available While the mechanism of reputation aggregation proves to be an effective scheme for indicating an individual’s trustworthiness and further identifying malicious ones in mobile social networks, it is vulnerable to collusive attacks from malicious nodes of collaborative frauds. To conquer the challenge of detecting collusive attacks and then identifying colluders for the reputation system in mobile social networks, a fuzzy collusive attack detection mechanism (FCADM is proposed based on nodes’ social relationships, which comprises three parts: trust schedule, malicious node selection, and detection traversing strategy. In the first part, the trust schedule provides the calculation method of interval valued fuzzy social relationships and reputation aggregation for nodes in mobile social networks; further, a set of fuzzy valued factors, that is, item judgment factor, node malicious factor, and node similar factor, is given for evaluating the probability of collusive fraud happening and identifying single malicious nodes in the second part; and moreover, a detection traversing strategy is given based on random walk algorithm under the perspectives of fuzzy valued nodes’ trust schedules and proposed malicious factors. Finally, our empirical results and analysis show that the proposed mechanism in this paper is feasible and effective.

  2. Mouse podoplanin supports adhesion and aggregation of platelets under arterial shear: A novel mechanism of haemostasis.

    Science.gov (United States)

    Lombard, Stephanie E; Pollitt, Alice Y; Hughes, Craig E; Di, Ying; Mckinnon, Tom; O'callaghan, Chris A; Watson, Steve P

    2017-11-01

    The podoplanin-CLEC-2 axis is critical in mice for prevention of hemorrhage in the cerebral vasculature during mid-gestation. This raises the question as to how platelets are captured by podoplanin on neuroepithelial cells in a high shear environment. In this study, we demonstrate that mouse platelets form stable aggregates on mouse podoplanin at arterial shear through a CLEC-2 and Src kinase-dependent pathway. Adhesion and aggregation are also dependent on the platelet glycoprotein (GP) receptors, integrin αIIbβ3 and GPIb, and the feedback agonists ADP and thromboxane A 2 (TxA 2 ). CLEC-2 does not bind to von Willebrand factor (VWF) suggesting that the interaction with podoplanin is sufficient to both tether and activate platelets. Consistent with this, the surface plasmon resonance measurements reveal that mouse CLEC-2 binds to mouse podoplanin with nanomolar affinity. The present findings demonstrate a novel pathway of hemostasis in which podoplanin supports platelet capture and activation at arteriolar rates of shear.

  3. From aggregation to interpretation: how assessors judge complex data in a competency-based portfolio.

    Science.gov (United States)

    Oudkerk Pool, Andrea; Govaerts, Marjan J B; Jaarsma, Debbie A D C; Driessen, Erik W

    2018-05-01

    While portfolios are increasingly used to assess competence, the validity of such portfolio-based assessments has hitherto remained unconfirmed. The purpose of the present research is therefore to further our understanding of how assessors form judgments when interpreting the complex data included in a competency-based portfolio. Eighteen assessors appraised one of three competency-based mock portfolios while thinking aloud, before taking part in semi-structured interviews. A thematic analysis of the think-aloud protocols and interviews revealed that assessors reached judgments through a 3-phase cyclical cognitive process of acquiring, organizing, and integrating evidence. Upon conclusion of the first cycle, assessors reviewed the remaining portfolio evidence to look for confirming or disconfirming evidence. Assessors were inclined to stick to their initial judgments even when confronted with seemingly disconfirming evidence. Although assessors reached similar final (pass-fail) judgments of students' professional competence, they differed in their information-processing approaches and the reasoning behind their judgments. Differences sprung from assessors' divergent assessment beliefs, performance theories, and inferences about the student. Assessment beliefs refer to assessors' opinions about what kind of evidence gives the most valuable and trustworthy information about the student's competence, whereas assessors' performance theories concern their conceptualizations of what constitutes professional competence and competent performance. Even when using the same pieces of information, assessors furthermore differed with respect to inferences about the student as a person as well as a (future) professional. Our findings support the notion that assessors' reasoning in judgment and decision-making varies and is guided by their mental models of performance assessment, potentially impacting feedback and the credibility of decisions. Our findings also lend further

  4. Complexation induced aggregation and deaggregation of acridine orange with sulfobutylether-β-cyclodextrin.

    Science.gov (United States)

    Sayed, Mhejabeen; Jha, Shruti; Pal, Haridas

    2017-09-13

    The present study reports a contrasting interaction behaviour of a biologically important dye, acridine orange (AOH + ), with a highly water soluble anionic host, based on a β-cyclodextrin (βCD) scaffold, i.e. sulfobutylether-β-cyclodextrin (SBEβCD), in comparison to native βCD. AOH + shows striking modulation in its photophysical properties, representing sequential changes in the modes of interaction with increasing SBEβCD concentration. At lower SBEβCD concentrations, AOH + preferentially binds in dimeric forms at the negatively charged SBEβCD portals, leading to strong fluorescence quenching. At higher SBEβCD concentrations, the dimeric dyes convert to monomeric forms and subsequently undergo both inclusion and exo complex formation with 1 : 1 stoichiometry, resulting in a large fluorescence enhancement. The intriguing observation of sequential fluorescence switch off and switch on for an AOH + -SBEβCD system is clearly facilitated by the presence of butylether chains with SO 3 - end groups at the portals of SBEβCD, providing an additional ion-ion interaction and much enhanced hydrophobic interaction for cationic AOH + compared to the native βCD host. To the best of our knowledge, such fluorescence off/on switching through multistep host-guest binding has not been reported so far in the literature. The present study not only provides a detailed insight into the unique binding interactions of AOH + with the SBEβCD host, but the findings of this study are also expected to be useful in designing supramolecular based drug formulations, drug delivery systems, sensors, and so on.

  5. CD147 and CD98 complex-mediated homotypic aggregation attenuates the CypA-induced chemotactic effect on Jurkat T cells.

    Science.gov (United States)

    Guo, Na; Zhang, Kui; Lv, Minghua; Miao, Jinlin; Chen, Zhinan; Zhu, Ping

    2015-02-01

    Homotypic cell aggregation plays important roles in physiological and pathological processes, including embryogenesis, immune responses, angiogenesis, tumor cell invasion and metastasis. CD147 has been implicated in most of these phenomena, and it was identified as a T cell activation-associated antigen due to its obvious up-regulation in activated T cells. However, the explicit function and mechanism of CD147 in T cells have not been fully elucidated. In this study, large and compact aggregates were observed in Jurkat T cells after treatment with the specific CD147 monoclonal antibody HAb18 or after the expression of CD147 was silenced by RNA interference, which indicated an inhibitory effect of CD147 in T cell homotypic aggregation. Knocking down CD147 expression resulted in a significant decrease in CD98, along with prominent cell aggregation, similar to that treated by CD98 and CD147 monoclonal antibodies. Furthermore, decreased cell chemotactic activity was observed following CD147- and CD98-mediated cell aggregation, and increased aggregation was correlated with a decrease in the chemotactic ability of the Jurkat T cells, suggesting that CD147- and CD98-mediated homotypic cell aggregation plays a negative role in T cell chemotaxis. Our data also showed that p-ERK, p-ZAP70, p-CD3ζ and p-LCK were significantly decreased in the CD147- and CD98-knocked down Jurkat T cells, which suggested that decreased CD147- and/or CD98-induced homotypic T cell aggregation and aggregation-inhibited chemotaxis might be associated with these signaling pathways. A role for CD147 in cell aggregation and chemotaxis was further indicated in primary CD4(+) T cells. Similarly, low expression of CD147 in primary T cells induced prominent cell aggregation and this aggregation attenuated primary T cell chemotactic ability in response to CypA. Our results have demonstrated the correlation between homotypic cell aggregation and the chemotactic response of T cells to CypA, and these data

  6. Self-organising aggregates of zebrafish retinal cells for investigating mechanisms of neural lamination.

    Science.gov (United States)

    Eldred, Megan K; Charlton-Perkins, Mark; Muresan, Leila; Harris, William A

    2017-03-15

    To investigate the cell-cell interactions necessary for the formation of retinal layers, we cultured dissociated zebrafish retinal progenitors in agarose microwells. Within these wells, the cells re-aggregated within hours, forming tight retinal organoids. Using a Spectrum of Fates zebrafish line, in which all different types of retinal neurons show distinct fluorescent spectra, we found that by 48 h in culture, the retinal organoids acquire a distinct spatial organisation, i.e. they became coarsely but clearly laminated. Retinal pigment epithelium cells were in the centre, photoreceptors and bipolar cells were next most central and amacrine cells and retinal ganglion cells were on the outside. Image analysis allowed us to derive quantitative measures of lamination, which we then used to find that Müller glia, but not RPE cells, are essential for this process. © 2017. Published by The Company of Biologists Ltd.

  7. Numerical analysis of the effect of surface roughness on mechanical fields in polycrystalline aggregates

    Science.gov (United States)

    Guilhem, Yoann; Basseville, Stéphanie; Curtit, François; Stéphan, Jean-Michel; Cailletaud, Georges

    2018-06-01

    This paper is dedicated to the study of the influence of surface roughness on local stress and strain fields in polycrystalline aggregates. Finite element computations are performed with a crystal plasticity model on a 316L stainless steel polycrystalline material element with different roughness states on its free surface. The subsequent analysis of the plastic strain localization patterns shows that surface roughness strongly affects the plastic strain localization induced by crystallography. Nevertheless, this effect mainly takes place at the surface and vanishes under the first layer of grains, which implies the existence of a critical perturbed depth. A statistical analysis based on the plastic strain distribution obtained for different roughness levels provides a simple rule to define the size of the affected zone depending on the rough surface parameters.

  8. Fast Coding Unit Encoding Mechanism for Low Complexity Video Coding

    OpenAIRE

    Gao, Yuan; Liu, Pengyu; Wu, Yueying; Jia, Kebin; Gao, Guandong

    2016-01-01

    In high efficiency video coding (HEVC), coding tree contributes to excellent compression performance. However, coding tree brings extremely high computational complexity. Innovative works for improving coding tree to further reduce encoding time are stated in this paper. A novel low complexity coding tree mechanism is proposed for HEVC fast coding unit (CU) encoding. Firstly, this paper makes an in-depth study of the relationship among CU distribution, quantization parameter (QP) and content ...

  9. Impact load-induced micro-structural damage and micro-structure associated mechanical response of concrete made with different surface roughness and porosity aggregates

    International Nuclear Information System (INIS)

    Erdem, Savaş; Dawson, Andrew Robert; Thom, Nicholas Howard

    2012-01-01

    The relationship between the nature of micro damage under impact loading and changes in mechanical behavior associated with different microstructures is studied for concretes made with two different coarse aggregates having significant differences mainly in roughness and porosity — sintered fly ash and uncrushed gravel. A range of techniques including X-ray diffraction, digital image analysis, mercury porosimetry, X-ray computed tomography, laser surface profilometry and scanning electron microscopy were used to characterize the aggregates and micro-structures. The concrete prepared with lightweight aggregates was stronger in compression than the gravel aggregate concrete due to enhanced hydration as a result of internal curing. In the lightweight concrete, it was deduced that an inhomogeneous micro-structure led to strain incompatibilities and consequent localized stress concentrations in the mix, leading to accelerated failure. The pore structure, compressibility, and surface texture of the aggregates are of paramount importance for the micro-cracking growth.

  10. Molecular mechanics and microcalorimetric investigations of the effects of molecular water on the aggregation of asphaltenes in solutions

    DEFF Research Database (Denmark)

    Murgich, J.; Lira-Galeana, C.; Garcia, Daniel Merino

    2002-01-01

    The interaction of two model asphaltene molecules from the Athabasca sand oil with a water molecule in a toluene solution was studied by means of molecular mechanics calculations. It was found that water forms bridging H bonds between the heteroatoms of asphaltenes with a considerable span...... in energies. The stronger H bond found has energies higher than those corresponding to the stacking of the aromatic areas of the same asphaltene molecules. This shows that the water molecule may generate additional mechanisms of aggregation of asphaltenes in toluene solution, as found experimentally. The H...... by titration calorimetry. A simple dimer dissociation model was used to derive the information about the heat and the constant of dissociation from asphaltenes of Mexico and Alaska obtained from the calorimetric data. The association enthalpies calculated were found to be in excellent agreement with those...

  11. An experimental study on the hazard assessment and mechanical properties of porous concrete utilizing coal bottom ash coarse aggregate in Korea.

    Science.gov (United States)

    Park, Seung Bum; Jang, Young Il; Lee, Jun; Lee, Byung Jae

    2009-07-15

    This study evaluates quality properties and toxicity of coal bottom ash coarse aggregate and analyzes mechanical properties of porous concrete depending on mixing rates of coal bottom ash. As a result, soundness and resistance to abrasion of coal bottom ash coarse aggregate were satisfied according to the standard of coarse aggregate for concrete. To satisfy the standard pertaining to chloride content, the coarse aggregates have to be washed more than twice. In regards to the result of leaching test for coal bottom ash coarse aggregate and porous concrete produced with these coarse aggregates, it was satisfied with the environment criteria. As the mixing rate of coal bottom ash increased, influence of void ratio and permeability coefficient was very little, but compressive and flexural strength decreased. When coal bottom ash was mixed over 40%, strength decreased sharply (compressive strength: by 11.7-27.1%, flexural strength: by maximum 26.4%). Also, as the mixing rate of coal bottom ash increased, it was confirmed that test specimens were destroyed by aggregate fracture more than binder fracture and interface fracture. To utilize coal bottom ash in large quantities, it is thought that an improvement method in regards to strength has to be discussed such as incorporation of reinforcing materials and improvement of aggregate hardness.

  12. Transient absorption study of two-photon excitation mechanism in the LH2 complex from purple bacterium Rhodobacter sphaeroides.

    Science.gov (United States)

    Stepanenko, Ilya; Kompanetz, Viktor; Makhneva, Zoya; Chekalin, Sergey; Moskalenko, Andrei; Razjivin, Andrei

    2012-03-08

    The mechanism of two-photon excitation of a peripheral light-harvesting complex LH2 (B800-850) from purple bacterium Rhodobacter sphaeroides was explained on the basis of femtosecond transient absorption data. Fast bleaching of the B850 absorption band was measured under two-photon excitation by 1350 nm femtosecond pulses, showing fast subpicosecond arrival of excitation energy to B850 circular aggregates. Any spectral changes connected with the B800 absorption band of B800-BChl molecules were absent. A similar picture was observed under one-photon excitation of the LH2 complex by 675 nm femtosecond pulses. We believe these effects may be attributed to direct excitation of high-energy excitonic states of a B850 circular aggregate or its vibrational manifold in accordance with the model of Abe [Chem. Phys. 2001, 264, 355-363].

  13. Prediction of Increasing Production Activities using Combination of Query Aggregation on Complex Events Processing and Neural Network

    Directory of Open Access Journals (Sweden)

    Achmad Arwan

    2016-07-01

    Full Text Available AbstrakProduksi, order, penjualan, dan pengiriman adalah serangkaian event yang saling terkait dalam industri manufaktur. Selanjutnya hasil dari event tersebut dicatat dalam event log. Complex Event Processing adalah metode yang digunakan untuk menganalisis apakah terdapat pola kombinasi peristiwa tertentu (peluang/ancaman yang terjadi pada sebuah sistem, sehingga dapat ditangani secara cepat dan tepat. Jaringan saraf tiruan adalah metode yang digunakan untuk mengklasifikasi data peningkatan proses produksi. Hasil pencatatan rangkaian proses yang menyebabkan peningkatan produksi digunakan sebagai data latih untuk mendapatkan fungsi aktivasi dari jaringan saraf tiruan. Penjumlahan hasil catatan event log dimasukkan ke input jaringan saraf tiruan untuk perhitungan nilai aktivasi. Ketika nilai aktivasi lebih dari batas yang ditentukan, maka sistem mengeluarkan sinyal untuk meningkatkan produksi, jika tidak, sistem tetap memantau kejadian. Hasil percobaan menunjukkan bahwa akurasi dari metode ini adalah 77% dari 39 rangkaian aliran event.Kata kunci: complex event processing, event, jaringan saraf tiruan, prediksi peningkatan produksi, proses. AbstractProductions, orders, sales, and shipments are series of interrelated events within manufacturing industry. Further these events were recorded in the event log. Complex event processing is a method that used to analyze whether there are patterns of combinations of certain events (opportunities / threats that occur in a system, so it can be addressed quickly and appropriately. Artificial neural network is a method that we used to classify production increase activities. The series of events that cause the increase of the production used as a dataset to train the weight of neural network which result activation value. An aggregate stream of events inserted into the neural network input to compute the value of activation. When the value is over a certain threshold (the activation value results

  14. Polyion-induced aggregation of oppositely charged liposomes and charged colloidal particles: the many facets of complex formation in low-density colloidal systems.

    Science.gov (United States)

    Cametti, C

    2008-10-01

    This review focusses on recent developments in the experimental study of polyion-induced charged colloidal particle aggregation, with particular emphasis on the formation of cationic liposome clusters induced by the addition of anionic adsorbing polyions. These structures can be considered, under certain points of view, a new class of colloidal systems, with intriguing properties that opens interesting and promising new opportunities in various biotechnological applications. Lipidic structures of different morphologies and different structural complexities interacting with oppositely charged polyions give rise to a rich variety of self-assembled structures that present various orders of hierarchy in the sense that, starting from a basic level, for example a lipid bilayer, they arrange themselves into superstructures as, for example, multilamellar stacks or liquid-crystalline structures. These structures can be roughly divided into two classes according to the fact that the elementary structure, involved in building a more complex one, keeps or does not keeps its basic arrangement. To the first one, belong those aggregates composed by single structures that maintain their integrity, for example, lipidic vesicles assembled together by an appropriate external agent. The second one encompasses structures that do not resemble the ones of the original objects which form them, but, conversely, derive from a deep restructuring and rearrangement process, where the original morphology of the initial constitutive elements is completely lost. In this review, I will only briefly touch on higher level hierarchy structures and I will focus on the assembling processes involving preformed lipid bilayer vesicles that organize themselves into clusters, the process being induced by the adsorption of oppositely charged polyions. The scientific interest in polyion-induced liposome aggregates is two-fold. On the one hand, in soft-matter physics, they represent an interesting colloidal

  15. Fresh and mechanical properties of self compacting concrete containing copper slag as fine aggregates

    Directory of Open Access Journals (Sweden)

    Rahul Sharma

    2017-03-01

    Full Text Available An investigation is carried out on the development of Self Compacting Concrete (SCC using copper slag (CS as fine aggregates with partial and full replacement of sand. Six different SCC mixes (60% OPC and 40% Fly Ash with 0% as control mix, 20%, 40%, 60%, 80% and 100% of copper slag substituting sand with constant w/b ratio of 0.45 were cast and tested for fresh properties of SCC. Compressive strength and splitting tensile strength were evaluated at different ages and microstructural analysis was observed at 120 days. It has been observed that the fluidity of SCC mixes was significantly enhanced with the increment of copper slag. The test results showed that the compressive strength increases up to 60% copper slag as replacement of sand, beyond which decrease in strength was observed. The highest compressive strength was obtained at 20% copper slag substitution at different curing ages among all the mixes, except for 7 days curing. The splitting tensile strength of the CS substituted mixes in comparison to control concrete was found to increase at all the curing ages but the remarkable achievement of strength was detected at 60% copper slag replacement. The microscopic view from Scanning electron microscopy (SEM demonstrated more voids, capillary channels, and micro cracks with the increment of copper slag as substitution of sand as compared to the control mix.

  16. Mechanism of recycling of post-termination ribosomal complexes in ...

    Indian Academy of Sciences (India)

    Madhu

    all pathway of ribosome recycling in eubacteria with especial reference to the important role of the initiation factor ... [Seshadri A and Varshney U 2006 Mechanism of recycling of post-termination ribosomal complexes in eubacteria: a new role of initiation factor 3 .... RRF binding results in a remarkable conformational change.

  17. Mechanism of host-guest complexation by cucurbituril.

    Science.gov (United States)

    Márquez, César; Hudgins, Robert R; Nau, Werner M

    2004-05-12

    The factors affecting host-guest complexation between the molecular container compound cucurbit[6]uril (CB6) and various guests in aqueous solution are studied, and a detailed complexation mechanism in the presence of cations is derived. The formation of the supramolecular complex is studied in detail for cyclohexylmethylammonium ion as guest. The kinetics and thermodynamics of complexation is monitored by NMR as a function of temperature, salt concentration, and cation size. The binding constants and the ingression rate constants decrease with increasing salt concentration and cation-binding constant, in agreement with a competitive binding of the ammonium site of the guest and the metal cation with the ureido carbonyl portals of CB6. Studies as a function of guest size indicate that the effective container volume of the CB6 cavity is approximately 105 A(3). It is suggested that larger guests are excluded for two reasons: a high activation barrier for ingression imposed by the tight CB6 portals and a destabilization of the complex due to steric repulsion inside. For example, in the case of the nearly spherical azoalkane homologues 2,3-diazabicyclo[2.2.1]hept-2-ene (DBH, volume ca. 96 A(3)) and 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO, volume ca. 110 A(3)), the former forms the CB6 complex promptly with a sizable binding constant (1300 M(-1)), while the latter does not form a complex even after several months at optimized complexation conditions. Molecular mechanics calculations are performed for several CB6/guest complexes. A qualitative agreement is found between experimental and calculated activation energies for ingression as a function of both guest size and state of protonation. The potential role of constrictive binding by CB6 is discussed.

  18. Mechanical Properties of Portland Cement Concrete With Recycled Asphalt Pavement as Partial Replacement for Coarse Aggregate

    Science.gov (United States)

    2016-06-01

    Finding constructive uses for construction waste byproducts contributes to green engineering principles. One such plentiful material is recycled asphalt pavement (RAP). This report looks at the mechanical viability of including RAP in a high strength...

  19. The 11S Proteasomal Activator REGγ Impacts Polyglutamine-Expanded Androgen Receptor Aggregation and Motor Neuron Viability through Distinct Mechanisms

    Directory of Open Access Journals (Sweden)

    Jill M. Yersak

    2017-05-01

    Full Text Available Spinal and bulbar muscular atrophy (SBMA is caused by expression of a polyglutamine (polyQ-expanded androgen receptor (AR. The inefficient nuclear proteasomal degradation of the mutant AR results in the formation of nuclear inclusions containing amino-terminal fragments of the mutant AR. PA28γ (also referred to as REGγ is a nuclear 11S-proteasomal activator with limited proteasome activation capabilities compared to its cytoplasmic 11S (PA28α, PA28β counterparts. To clarify the role of REGγ in polyQ-expanded AR metabolism, we carried out genetic and biochemical studies in cell models of SBMA. Overexpression of REGγ in a PC12 cell model of SBMA increased polyQ-expanded AR aggregation and contributed to polyQ-expanded AR toxicity in the presence of dihydrotestosterone (DHT. These effects of REGγ were independent of its association with the proteasome and may be due, in part, to the decreased binding of polyQ-expanded AR by the E3 ubiquitin-ligase MDM2. Unlike its effects in PC12 cells, REGγ overexpression rescued transgenic SBMA motor neurons from DHT-induced toxicity in a proteasome binding-dependent manner, suggesting that the degradation of a specific 11S proteasome substrate or substrates promotes motor neuron viability. One potential substrate that we found to play a role in mutant AR toxicity is the splicing factor SC35. These studies reveal that, depending on the cellular context, two biological roles for REGγ impact cell viability in the face of polyQ-expanded AR; a proteasome binding-independent mechanism directly promotes mutant AR aggregation while a proteasome binding-dependent mechanism promotes cell viability. The balance between these functions likely determines REGγ effects on polyQ-expanded AR-expressing cells.

  20. Mechanistic phenotypes: an aggregative phenotyping strategy to identify disease mechanisms using GWAS data.

    Directory of Open Access Journals (Sweden)

    Jonathan D Mosley

    Full Text Available A single mutation can alter cellular and global homeostatic mechanisms and give rise to multiple clinical diseases. We hypothesized that these disease mechanisms could be identified using low minor allele frequency (MAF<0.1 non-synonymous SNPs (nsSNPs associated with "mechanistic phenotypes", comprised of collections of related diagnoses. We studied two mechanistic phenotypes: (1 thrombosis, evaluated in a population of 1,655 African Americans; and (2 four groupings of cancer diagnoses, evaluated in 3,009 white European Americans. We tested associations between nsSNPs represented on GWAS platforms and mechanistic phenotypes ascertained from electronic medical records (EMRs, and sought enrichment in functional ontologies across the top-ranked associations. We used a two-step analytic approach whereby nsSNPs were first sorted by the strength of their association with a phenotype. We tested associations using two reverse genetic models and standard additive and recessive models. In the second step, we employed a hypothesis-free ontological enrichment analysis using the sorted nsSNPs to identify functional mechanisms underlying the diagnoses comprising the mechanistic phenotypes. The thrombosis phenotype was solely associated with ontologies related to blood coagulation (Fisher's p = 0.0001, FDR p = 0.03, driven by the F5, P2RY12 and F2RL2 genes. For the cancer phenotypes, the reverse genetics models were enriched in DNA repair functions (p = 2×10-5, FDR p = 0.03 (POLG/FANCI, SLX4/FANCP, XRCC1, BRCA1, FANCA, CHD1L while the additive model showed enrichment related to chromatid segregation (p = 4×10-6, FDR p = 0.005 (KIF25, PINX1. We were able to replicate nsSNP associations for POLG/FANCI, BRCA1, FANCA and CHD1L in independent data sets. Mechanism-oriented phenotyping using collections of EMR-derived diagnoses can elucidate fundamental disease mechanisms.

  1. Photoelectrochemical etching of gallium nitride surface by complexation dissolution mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Miao-Rong [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); University of Chinese Academy of Sciences, 100049 Beijing (China); Hou, Fei; Wang, Zu-Gang; Zhang, Shao-Hui [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China); Changchun University of Science and Technology, 130022 Changchun (China); Pan, Ge-Bo, E-mail: gbpan2008@sinano.ac.cn [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, 215123 Suzhou (China)

    2017-07-15

    Graphical abstract: GaN surface was etched by 0.3 M EDTA-2Na. The proposed complexation dissolution mechanism can be applicable to almost all neutral etchants under the prerequisite of strong light and electric field. - Highlights: • GaN surface was etched by EDTA-2Na. • GaN may be dissolved into EDTA-2Na by forming Ga–EDTA complex. • We propose the complexation dissolution mechanism for the first time. - Abstract: Gallium nitride (GaN) surface was etched by 0.3 M ethylenediamine tetraacetic acid disodium (EDTA-2Na) via photoelectrochemical etching technique. SEM images reveal the etched GaN surface becomes rough and irregular. The pore density is up to 1.9 × 10{sup 9} per square centimeter after simple acid post-treatment. The difference of XPS spectra of Ga 3d, N 1s and O 1s between the non-etched and freshly etched GaN surfaces can be attributed to the formation of Ga–EDTA complex at the etching interface between GaN and EDTA-2Na. The proposed complexation dissolution mechanism can be broadly applicable to almost all neutral etchants under the prerequisite of strong light and electric field. From the point of view of environment, safety and energy, EDTA-2Na has obvious advantages over conventionally corrosive etchants. Moreover, as the further and deeper study of such nearly neutral etchants, GaN etching technology has better application prospect in photoelectric micro-device fabrication.

  2. Biomechanics of compensatory mechanisms in spinal-pelvic complex

    Science.gov (United States)

    Ivanov, D. V.; Hominets, V. V.; Kirillova, I. V.; Kossovich, L. Yu; Kudyashev, A. L.; Teremshonok, A. V.

    2018-04-01

    3D geometric solid computer model of spinal-pelvic complex was constructed on the basis of computed tomography and full body X-ray in standing position data. The constructed model was used for biomechanical analysis of compensatory mechanisms arising in the spine with anteversion and retroversion of the pelvis. The results of numerical biomechanical 3D modeling are in good agreement with the clinical data.

  3. The antimalarial activity of Ru-chloroquine complexes against resistant Plasmodium falciparum is related to lipophilicity, basicity, and heme aggregation inhibition ability near water/n-octanol interfaces.

    Science.gov (United States)

    Martínez, Alberto; Rajapakse, Chandima S K; Jalloh, Dalanda; Dautriche, Cula; Sánchez-Delgado, Roberto A

    2009-08-01

    We have measured water/n-octanol partition coefficients, pK(a) values, heme binding constants, and heme aggregation inhibition activity of a series of ruthenium-pi-arene-chloroquine (CQ) complexes recently reported to be active against CQ-resistant strains of Plasmodium falciparum. Measurements of heme aggregation inhibition activity of the metal complexes near water/n-octanol interfaces qualitatively predict their superior antiplasmodial action against resistant parasites, in relation to CQ; we conclude that this modified method may be a better predictor of antimalarial potency than standard tests in aqueous acidic buffer. Some interesting tendencies emerge from our data, indicating that the antiplasmodial activity is related to a balance of effects associated with the lipophilicity, basicity, and structural details of the compounds studied.

  4. The antimalarial activity of Ru–chloroquine complexes against resistant Plasmodium falciparum is related to lipophilicity, basicity, and heme aggregation inhibition ability near water/n-octanol interfaces

    Science.gov (United States)

    Martínez, Alberto; Rajapakse, Chandima S. K.; Jalloh, Dalanda; Dautriche, Cula

    2012-01-01

    We have measured water/n-octanol partition coefficients, pKa values, heme binding constants, and heme aggregation inhibition activity of a series of ruthenium–πarene–chloroquine (CQ) complexes recently reported to be active against CQ-resistant strains of Plasmodium falciparum. Measurements of heme aggregation inhibition activity of the metal complexes near water/n-octanol interfaces qualitatively predict their superior antiplasmodial action against resistant parasites, in relation to CQ; we conclude that this modified method may be a better predictor of antimalarial potency than standard tests in aqueous acidic buffer. Some interesting tendencies emerge from our data, indicating that the antiplasmodial activity is related to a balance of effects associated with the lipophilicity, basicity, and structural details of the compounds studied. PMID:19343380

  5. Bohmian mechanics with complex action: A new trajectory-based formulation of quantum mechanics

    International Nuclear Information System (INIS)

    Goldfarb, Yair; Degani, Ilan; Tannor, David J.

    2006-01-01

    In recent years there has been a resurgence of interest in Bohmian mechanics as a numerical tool because of its local dynamics, which suggest the possibility of significant computational advantages for the simulation of large quantum systems. However, closer inspection of the Bohmian formulation reveals that the nonlocality of quantum mechanics has not disappeared--it has simply been swept under the rug into the quantum force. In this paper we present a new formulation of Bohmian mechanics in which the quantum action, S, is taken to be complex. This leads to a single equation for complex S, and ultimately complex x and p but there is a reward for this complexification - a significantly higher degree of localization. The quantum force in the new approach vanishes for Gaussian wave packet dynamics, and its effect on barrier tunneling processes is orders of magnitude lower than that of the classical force. In fact, the current method is shown to be a rigorous extension of generalized Gaussian wave packet dynamics to give exact quantum mechanics. We demonstrate tunneling probabilities that are in virtually perfect agreement with the exact quantum mechanics down to 10 -7 calculated from strictly localized quantum trajectories that do not communicate with their neighbors. The new formulation may have significant implications for fundamental quantum mechanics, ranging from the interpretation of non-locality to measures of quantum complexity

  6. Geometry of real and complex canonical transformations in quantum mechanics

    International Nuclear Information System (INIS)

    Grossmann, A.

    1977-08-01

    Quantum mechanics of finitely many particles involves the group of linear (and affine) canonical transformations. A well-defined ray representation of this group acts in the space of states of any quantum-mechanical system with finitely many degrees of freedom and plays a central role in many different contexts. This representation appears quite naturally in quantum mechanics over phase space (Weyl-Wigner correspondence), that it becomes, when suitably written, just a matter of looking at one object from different symplectic reference frames. This is particularly interesting for complex canonical transformations which are represented by unbounded operators. The list of references gives an idea of the variety of motivations and points of view in the subject

  7. (E)-4-Methyl-N-((quinolin-2-yl)ethylidene)aniline as ligand for IIB supramolecular complexes: synthesis, structure, aggregation-induced emission enhancement and application in PMMA-doped hybrid material.

    Science.gov (United States)

    Wang, Ani; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Song, Yang; Wang, Ping; Hao, Sue; Liu, Zhigang; Yang, Yulin

    2016-12-20

    Judicious structural design employing 2-quinolinecarboxaldehyde and 4-methylaniline was used to generate the Schiff base ligand (E)-4-methyl-N-((quinolin-2-yl)ethylidene)aniline (L). Five IIB complexes, namely, [ZnLCl 2 ] (1), [ZnL(NO 3 ) 2 ] (2), [ZnL(OAc) 2 ] 3 (3), [CdL(OAc) 2 ] 3 (4), and [HgLCl 2 ] (5) have been synthesized based on L. Single-crystal X-ray diffraction analysis indicates that complexes 1, 3 and 4 exhibit 3D networks, whereas 2 and 5 form 2D layers and 1D chains, respectively. TD-DFT calculations show a good correlation with the UV-vis absorption assigned to π → π* intraligand transitions. Furthermore, complexes 1-5 displayed strong greenish luminescent emissions (518-524 nm) in the aggregate state but weak emissions in solution (aggregation-induced emission enhancement), which may be due to the existence of C-HCl/O hydrogen bonding and ππ stacking interactions, resulting in restriction of intramolecular rotation (RIR). Variable-concentration 1 H NMR studies suggested that the aggregates undergo intramolecular changes in conformation due to intermolecular interactions. Moreover, the emission intensity and lifetime exhibited obvious increases induced by mechanical grinding and temperature reduction, which were also attributed to AIEE properties. Subsequently, complex 1 was incorporated into poly(methyl methacrylate) (PMMA), whereby 1-PMMA exhibited enhanced emission intensity (20-fold increase in comparison with that of 1), which offers opportunities for use in plastic greenhouses to increase leaf photosynthesis.

  8. Combined use of MSWI bottom ash and fly ash as aggregate in concrete formulation: environmental and mechanical considerations.

    Science.gov (United States)

    Ginés, O; Chimenos, J M; Vizcarro, A; Formosa, J; Rosell, J R

    2009-09-30

    This paper reports the experimental results obtained after casting concrete formulated with different mix proportions of municipal solid waste incineration (MSWI) by-products, bottom ash (BA) and air pollution control fly ash (APCFA), as aggregates. Several tests were performed to determine the properties of the mixed proportions. Mechanical properties of the formulations, such as compressive strength, were also determined, and two different leaching tests were performed to study their environmental effects. Some suitable concrete formulations were obtained for the 95/5 and 90/10 BA/APCFA mix proportions. These formulations showed the highest compressive strength test results, above 15 MPa, and the lowest amount of released trace metals in reference to the leaching test. The leaching mechanisms involved in the release of trace metals for the best formulations were also studied, revealing that the washing-off process may play an important role. Given the experimental data it can be concluded that these concrete mix proportions are suitable for use as non-structural concrete.

  9. A novel aggregation induced emission active cyclometalated Ir(III) complex as a luminescent probe for detection of copper(II) ion in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Wei; Yan, Liqiang; Tian, Wenwen; Cui, Xia; Qi, Zhengjian, E-mail: qizhengjian@seu.edu.cn; Sun, Yueming, E-mail: sun@seu.edu.cn

    2016-09-15

    We report the synthesis and characterization of a novel aggregation induced emission (AIE) active cyclometalated Ir(III) complex, namely [Ir(dfppy){sub 2}(phen-DPA)]PF{sub 6}, where dfppy and phen-DPA represent 2-(2,4-difluorophenyl)pyridine and 2-(bis(pyridin-2-ylmethyl)amino)-N-(1,10-phenanthrolin-5-yl)acetamide, respectively. The complex showed remarkable selectivity for copper(II) in aqueous solution over other competitive ions. Furthermore, this sensor showed a rapid and reversible response to copper(II) in aqueous solution with a detection limit of 65 nM.

  10. BlenX-based compositional modeling of complex reaction mechanisms

    Directory of Open Access Journals (Sweden)

    Judit Zámborszky

    2010-02-01

    Full Text Available Molecular interactions are wired in a fascinating way resulting in complex behavior of biological systems. Theoretical modeling provides a useful framework for understanding the dynamics and the function of such networks. The complexity of the biological networks calls for conceptual tools that manage the combinatorial explosion of the set of possible interactions. A suitable conceptual tool to attack complexity is compositionality, already successfully used in the process algebra field to model computer systems. We rely on the BlenX programming language, originated by the beta-binders process calculus, to specify and simulate high-level descriptions of biological circuits. The Gillespie's stochastic framework of BlenX requires the decomposition of phenomenological functions into basic elementary reactions. Systematic unpacking of complex reaction mechanisms into BlenX templates is shown in this study. The estimation/derivation of missing parameters and the challenges emerging from compositional model building in stochastic process algebras are discussed. A biological example on circadian clock is presented as a case study of BlenX compositionality.

  11. Mechanics of Cellulose Synthase Complexes in Living Plant Cells

    Science.gov (United States)

    Zehfroosh, Nina; Liu, Derui; Ramos, Kieran P.; Yang, Xiaoli; Goldner, Lori S.; Baskin, Tobias I.

    The polymer cellulose is one of the major components of the world's biomass with unique and fascinating characteristics such as its high tensile strength, renewability, biodegradability, and biocompatibility. Because of these distinctive aspects, cellulose has been the subject of enormous scientific and industrial interest, yet there are still fundamental open questions about cellulose biosynthesis. Cellulose is synthesized by a complex of transmembrane proteins called ``Cellulose Synthase A'' (CESA) in the plasma membrane. Studying the dynamics and kinematics of the CESA complex will help reveal the mechanism of cellulose synthesis and permit the development and validation of models of CESA motility. To understand what drives these complexes through the cell membrane, we used total internal reflection fluorescence microscopy (TIRFM) and variable angle epi-fluorescence microscopy to track individual, fluorescently-labeled CESA complexes as they move in the hypocotyl and root of living plants. A mean square displacement analysis will be applied to distinguish ballistic, diffusional, and other forms of motion. We report on the results of these tracking experiments. This work was funded by NSF/PHY-1205989.

  12. Mechanisms of energy transfer and conversion in plant Light-Harvesting Complex II

    Energy Technology Data Exchange (ETDEWEB)

    Barros, Tiago Ferreira de

    2009-09-24

    subject of this thesis. From the results obtained during this doctoral work, five main conclusions can be drawn concerning the mechanism of qE: 1. Substitution of Vio by Zea in LHC-II is not sufficient for efficient dissipation of excess excitation energy. 2. Aggregation quenching of LHC-II does not require Vio, Neo nor a specific Chl pair. 3. With one exception, the pigment structure in LHC-II is rigid. 4. The two X-ray structures of LHC-II show the same energy transmitting state of the complex. 5. Crystalline LHC-II resembles the complex in the thylakoid membrane. Models of the aggregation quenching mechanism in vitro and the qE mechanism in vivo are presented as a corollary of this doctoral work. LHC-II aggregation quenching in vitro is attributed to the formation of energy sinks on the periphery of LHC-II through random interaction with other trimers, free pigments or impurities. A similar but unrelated process is proposed to occur in the thylakoid membrane, by which excess excitation energy is dissipated upon specific interaction between LHC-II and a PsbS monomer carrying Zea. At the end of this thesis, an innovative experimental model for the analysis of all key aspects of qE is proposed in order to finally solve the qE enigma, one of the last unresolved problems in photosynthesis research. (orig.)

  13. The 10 μm amorphous silicate feature of fractal aggregates and compact particles with complex shapes

    NARCIS (Netherlands)

    Min, M.; Dominik, C.; Hovenier, J.W.; de Koter, A.; Waters, L.B.F.M.

    2006-01-01

    We model the 10 μm absorption spectra of nonspherical particles composed of amorphous silicate. We consider two classes of particles, compact ones and fractal aggregates composed of homogeneous spheres. For the compact particles we consider Gaussian random spheres with various degrees of

  14. Regulatory Mechanisms in the P4-ATPase Complex

    DEFF Research Database (Denmark)

    Costa, Sara

    . The functionality on the P4-ATPase complex is essential for several cellular processes, such as vesicle-mediated transport. However, the specific role of flippase activity in vesicle biogenesis and the regulatory mechanism behind this process is still poorly understood. In these studies, we identified...... affordable alternative using a microscope-based cytometer. This system can simultaneously provide information on flippase activity and expression levels. Taken together, the findings described in this thesis provide new tools for P4-ATPase characterization and valuable insights into the regulation...

  15. Visualizing the complex functions and mechanisms of the anaphase promoting complex/cyclosome (APC/C)

    Science.gov (United States)

    Alfieri, Claudio; Zhang, Suyang

    2017-01-01

    The anaphase promoting complex or cyclosome (APC/C) is a large multi-subunit E3 ubiquitin ligase that orchestrates cell cycle progression by mediating the degradation of important cell cycle regulators. During the two decades since its discovery, much has been learnt concerning its role in recognizing and ubiquitinating specific proteins in a cell-cycle-dependent manner, the mechanisms governing substrate specificity, the catalytic process of assembling polyubiquitin chains on its target proteins, and its regulation by phosphorylation and the spindle assembly checkpoint. The past few years have witnessed significant progress in understanding the quantitative mechanisms underlying these varied APC/C functions. This review integrates the overall functions and properties of the APC/C with mechanistic insights gained from recent cryo-electron microscopy (cryo-EM) studies of reconstituted human APC/C complexes. PMID:29167309

  16. Dioxins: diagnostic and prognostic challenges arising from complex mechanisms

    DEFF Research Database (Denmark)

    Rysavy, Noel M.; Maaetoft-Udsen, Kristina; Turner, Helen

    2013-01-01

    Dioxins are ubiquitous environmental challenges to humans, with a pervasiveness that arises from 200?years of rapid industrialization and mechanization of Western societies and which is now extending into the developing world. In spite of their penetrance of the human biota, these compounds...... such as cancer and diabetes, which are already multifactorial and highly complex, creates the context for the current review paper. Here, we summarize dioxin exposure paradigms and the resulting physiological effects that have been documented in animals and humans. Novel insights into potential endogenous end...... exogenous ligands, as well as the mechanisms by which these ligands impact acute and chronic cellular processes, are discussed. We develop the idea that the diagnosis of dioxin exposure, the subtleties of the cellular effects of the compounds and prognosis of the long-term effects of exposure are problems...

  17. Unusual Circularly Polarized and Aggregation-Induced Near-Infrared Phosphorescence of Helical Platinum(II) Complexes with Tetradentate Salen Ligands.

    Science.gov (United States)

    Song, Jintong; Wang, Man; Zhou, Xiangge; Xiang, Haifeng

    2018-05-17

    A series of chiral and helical Pt II -Salen complexes with 1,1'-binaphthyl linkers were synthesized and characterized. Owing to the restriction of intramolecular motions of central 1,1'-binaphthyls, the complexes exhibit unusual near-infrared aggregation-induced phosphorescence (AIP). The (R)/(S) enantiopure complexes were characterized by X-ray diffraction, circular dichroism spectra, time-dependent density functional theory calculations, and circularly polarized luminescence (CPL). The present work explores the use of tetradentate ligands that can be easily prepared from commercially available enantiopure compounds, and the subsequent preparation of stable CPL-active square planar Pt II complexes with AIP effect that may have interest in many applications. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Phytoplankton aggregate formation: observations of patterns and mechanisms of cell sticking and the significance of exopolymeric material

    DEFF Research Database (Denmark)

    Kiørboe, Thomas; Hansen, Jorgen L. S.

    1993-01-01

    are sticky in themselves, and coagulation depends on cell-cell sticking and does not involve mucus. Aggregates are composed solely of cells. Cells of the diatom Chaetoceros affinis, on the other hand, are not in themselves sticky. Transparent exopolymeric particles (TEP), produced by the diatom, cause...... the cells to aggregate and coagulation depends on TEP-cell rather than cell-cell sticking. Aggregates are formed of a mixture of mucus and cells. We found several species of diatoms and one flagellate species to produce copious amounts of TEP. TEP from some species (e.g. Coscinodiscus sp.) is sticky and may...

  19. Geometric Mechanics Reveals Optimal Complex Terrestrial Undulation Patterns

    Science.gov (United States)

    Gong, Chaohui; Astley, Henry; Schiebel, Perrin; Dai, Jin; Travers, Matthew; Goldman, Daniel; Choset, Howie; CMU Team; GT Team

    Geometric mechanics offers useful tools for intuitively analyzing biological and robotic locomotion. However, utility of these tools were previously restricted to systems that have only two internal degrees of freedom and in uniform media. We show kinematics of complex locomotors that make intermittent contacts with substrates can be approximated as a linear combination of two shape bases, and can be represented using two variables. Therefore, the tools of geometric mechanics can be used to analyze motions of locomotors with many degrees of freedom. To demonstrate the proposed technique, we present studies on two different types of snake gaits which utilize combinations of waves in the horizontal and vertical planes: sidewinding (in the sidewinder rattlesnake C. cerastes) and lateral undulation (in the desert specialist snake C. occipitalis). C. cerastes moves by generating posteriorly traveling body waves in the horizontal and vertical directions, with a relative phase offset equal to +/-π/2 while C. occipitalismaintains a π/2 offset of a frequency doubled vertical wave. Geometric analysis reveals these coordination patterns enable optimal movement in the two different styles of undulatory terrestrial locomotion. More broadly, these examples demonstrate the utility of geometric mechanics in analyzing realistic biological and robotic locomotion.

  20. Quantum Mechanical Simulations of Complex Nanostructures for Photovoltaic Applications

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Zhigang [Colorado School of Mines, Golden, CO (United States)

    2017-05-31

    A quantitative understanding of the electronic excitations in nanostructures, especially complex nanostructures, is crucial for making new-generation photovoltaic (PV) cells based on nanotechnology, which have high efficiency and low cost. Yet current quantum mechanical simulation methods are either computationally too expensive or not accurate and reliable enough, hindering the rational design of the nanoscale PV cells. The PI seeks to develop new methodologies to overcome the challenges in this very difficult and long-lasting problem, pushing the field forward so that electronic excitations can be accurately predicted for systems involving thousands of atoms. The primary objective of this project is to develop new approaches for electronic excitation calculations that are more accurate than traditional density functional theory (DFT) and are applicable to systems larger than what current beyond-DFT methods can treat. In this proposal, the PI will first address the excited-state problem within the DFT framework to obtain quasiparticle energies from both Kohn-Sham (KS) eigenvalues and orbitals; and the electron-hole binding energy will be computed based on screened Coulomb interaction of corresponding DFT orbitals. The accuracy of these approaches will be examined against many-body methods of GW/BSE and quantum Monte Carlo (QMC). The PI will also work on improving the accuracy and efficiency of the GW/BSE and QMC methods in electronic excitation computations by using better KS orbitals obtained from orbital-dependent DFT as inputs. Then an extended QMC database of ground- and excited-state properties will be developed, and this will be spot checked and supplemented with data from GW/BSE calculations. The investigation will subsequently focus on the development of an improved exchange-correlation (XC) density functional beyond the current generalized gradient approximation (GGA) level of parameterization, with parameters fitted to the QMC database. This will allow

  1. Swarming Mechanisms in the Yellow Fever Mosquito: Aggregation Pheromones are Involved in the Mating Behavior of Aedes aegypti

    Science.gov (United States)

    2014-12-01

    behavior of Aedes aegypti Emadeldin Y. Fawaz1, Sandra A. Allan2, Ulrich R. Bernier2, Peter J. Obenauer3, and Joseph W. Diclaro II1 1Vector Biology... Aedes aegypti swarming behavior and identified associated chemical cues. Novel evidence is provided that Ae. aegypti females aggregate by means of...the isolated aggregation pheromones in controlling Ae. aegypti. Journal of Vector Ecology 39 (2): 347-354. 2014. Keyword Index: Aedes aegypti, swarm

  2. RATIONAL AGGREGATION OF THE PRODUCTION LIST OF THE ECONOMIC MODEL WITH THE DETAILED TIMBER COMPLEX (ASSESSMENT ON THE BASE OF THE EXPERIMENTAL CALCULATIONS

    Directory of Open Access Journals (Sweden)

    Mkrtchyan G. M.

    2015-09-01

    Full Text Available The main principle of developing specialized model complexes is based on the approach when the detailed description of the object (the core, the main body is added by the description of the context. In addition to the above, the core of the system can be made up in turns by objects picked up from the context. Developing the models on separate subsystems of the economy, presented in details in the basic model, leads to creation of problems (equations with many variables and parameters where for the specific goals of analysis (and forecasting it is not at all obligatory to use the full-scale model. Such redundancy is unnecessary while using this model for scenario calculations in the context of “branch ” problems. The authors provide experimental calculations which allow evaluating the influence of aggregation on resulting information. Average year growth rates of production by branches of timber complex are considered as resulting information. Closeness of decisions on these indicators proves the hypothesis about possibility and rationality of such aggregation of the economic context for the timber complex.

  3. Computing Analysis of Bearing Elements of Launch Complex Aggregates for Space Rocket "Soyuz-2.1v"

    Directory of Open Access Journals (Sweden)

    V. A. Zverev

    2014-01-01

    Full Text Available The research is devoted to the computational analysis of bearing structures of launch system aggregates, which are designed for the prelaunch preparation and launch security of space rocket (SR "SOYUZ-2" of 1B stage. The bearing structures taken under consideration are the following: supporting trusses (ST, bearing arms (BA, the upper cable girder (UCG, the umbilical mast (UM. The SR “SOYUZ-2" of 1B stage has the characteristics of the propulsion unit (PU thrust, different from those of the "Soyuz" family space rockets exploited before.The paper presents basic modeling principles to calculate units and their operating loadings. The body self-weight and the influence of a gas-dynamic jet of "SOYUZ-2.1B" propulsion unit have been considered as a load of units. Parameters of this influence are determined on the basis of impulse stream fields and of deceleration temperatures calculated for various SR positions according to the specified path of its ascent and demolition.Physical models of the aggregates and calculations are based on the finite elements method and super-elements method using “SADAS” software package developed at the chair SM8 of Bauman Moscow State Technical University.Fields of nodal temperatures distribution in the ST, BA, UCG, UM models, and fields of tension in finite elements as well represent the calculation results.Obtained results revealed the most vulnerable of considered starting system aggregates, namely UM, which was taken for local durability calculation. As an example, this research considers calculation of local durability in the truss branches junction of UM rotary part, for which the constructive strengthening has been offered. For this node a detailed finite-element model built in the model of UM rotary part has been created. Calculation results of local durability testify that the strengthened node meets durability conditions.SR developers used calculation results of launch system aggregates for the space

  4. Mechanisms of the priming effect of low doses of lipopoly-saccharides on leukocyte-dependent platelet aggregation in whole blood.

    Science.gov (United States)

    Montrucchio, Giuseppe; Bosco, Ornella; Del Sorbo, Lorenzo; Fascio Pecetto, Paolo; Lupia, Enrico; Goffi, Alberto; Omedè, Paola; Emanuelli, Giorgio; Camussi, Giovanni

    2003-11-01

    Several studies focused on the ability of bacterial lipopolysac-charides (LPS) in triggering platelet and/or leukocyte activation. The aim of this study was to investigate the molecular mechanisms involved in the aggregation of platelets and in their interaction with leukocytes in whole blood after stimulation with low doses of LPS. LPS did not directly induce platelet aggregation in whole blood, but they primed the aggregation of platelets induced by epinephrine, adenosine diphosphate and arachidonic acid. As shown by cytofluorimetry, platelets neither bind FITC-LPS, nor express the LPS-receptors CD14 and toll-like receptor 4 (TLR4). On the contrary, LPS primed monocytes and to a lesser extent polymorphonuclear neutrophils to adhere to platelets. Both platelet-leukocyte interaction and platelet aggregation in whole blood were inhibited by blockade of CD14 and TLR4. Moreover, the interaction between platelets and leukocytes was inhibited by P-selectin, and by blockade of PAF and reactive oxygen species, suggesting a role of P-selectin and of leukocyte-derived mediators. In conclusion, these results elucidate the mechanisms leading to platelet activation and interaction with leukocytes triggered by LPS. They suggest that the activation of platelets by LPS is mainly dependent on leukocytes and especially monocytes as a result of CD14 and TLR4 engagement. Moreover, we found that leukocyte-platelet interaction was triggered by the synthesis of PAF and the generation of oxygen radicals that induced upregulation of surface expression of P-selectin.

  5. Effect of Coarse Aggregate and Slag Type on the Mechanical Behavior of High and Normal Weight Concrete Used at Barrage Structure

    Directory of Open Access Journals (Sweden)

    Muhammad Sanaullah

    2017-04-01

    Full Text Available Present study is an effort to assess the composite effect of limestone aggregate and blast furnace slag on the mechanical characteristics of normal and high weight concrete at various structural units (barrage girders, main weir and block apron of New Khanki Barrage Project, Punjab. Mix designs for different concrete classes falling under the domain of high and normal weight concrete were prepared after aggregate quality testing. On attaining satisfactory results of quality testing nine concrete mixes were designed (three for each class: A1, A and B by absolute volume method (ACI- 211.1. The required compressive strength of normal and high strength was set at 6200, 5200 and 4200 Psi for the concrete types A1, A and B respectively after 28 days (ACI -318. For compressive strength assessment, a total 27 concrete cylinders were casted (9-cylinders for each mix and were water cured. The achieved average UCS of cylinder concrete specimens at 3, 7 and 28 days are 5170, 6338 and 7320 Psi for A1 – type, 3210, 4187 and 5602 Psi for A-type and 2650, 3360 and 4408 Psi for B- type mix. It has been found that all concrete mixes for suggested classes attained target strength at age of 7-days. The coarse aggregate (Margala Hill limestone and fine aggregates (from Lawrancepur /Qibla Bandi quarries used in all concrete mix designs have demonstrated a sound mechanical suitability for high and normal weight concrete.

  6. Quenching of chlorophyll a singlets and triplets by carotenoids in light-harvesting complex of photosystem II: comparison of aggregates with trimers

    Science.gov (United States)

    Naqvi, K. Razi; Melø, T. B.; Raju, B. Bangar; Jávorfi, Tamás; Simidjiev, Ilian; Garab, Gyözö

    1997-12-01

    Laser-induced changes in the absorption spectra of isolated light-harvesting chlorophyll a/ b complex (LHC II) associated with photosystem II of higher plants have been recorded under anaerobic conditions and at ambient temperature by using multichannel detection with sub-microsecond time resolution. Difference spectra (Δ A) of LHC II aggregates have been found to differ from the corresponding spectra of trimers on two counts: (i) in the aggregates, the carotenoid (Car) triplet-triplet absorption band (Δ A>0) is red-shifted and broader; and (ii) the features attributable to the perturbation of the Qy band of a chlorophyll a (Chl a) by a nearby Car triplet are more pronounced, than in trimers. Aggregation, which is known to be accompanied by a reduction in the fluorescence yield of Chl a, is shown to cause a parallel decline in the triplet formation yield of Chl a; on the other hand, the efficiency (100%) of Chl a-to-Car transfer of triplet energy and the lifetime (9.3 μs) of Car triplets are not affected by aggregation. These findings are rationalized by postulating that the antenna Cars transact, besides light-harvesting and photoprotection, a third process: energy dissipation within the antenna. The suggestion is advanced that luteins, which are buried inside the LHC II monomers, as well as the other, peripheral, xanthophylls (neoxanthin and violaxanthin) quench the excited singlet state of Chl a by catalyzing internal conversion, a decay channel that competes with fluorescence and intersystem crossing; support for this explanation is presented by recalling reports of similar behaviour in bichromophoric model compounds in which one moiety is a Car and the other a porphyrin or a pyropheophorbide.

  7. The effect of bond characteristics between steel slag fine aggregate and cement paste on mechanical properties of concrete and mortar

    International Nuclear Information System (INIS)

    Yuji, W.

    1988-01-01

    The ordinary fine aggregate in concrete has been replaced by ground and sieved steel slag fine aggregate, treated and exposed to air for three months. Compared with concrete made from natural sand, properties such as compressive strength, flexural strength, elastic modules, permeability and abrasion resistance are considerably improved. The improvement increases with a decrease in w/c ratio, an increase in curing time and an increase in the replacement weight of sand. These results are due to the fact that the steel slag contains some active minerals such as C/sub 3/S, C/sub 2/S, C/sub 4/AF, etc., and shows favorable surface physical characteristics that improve the bond between steel slag particles and cement paste. The results of XRD, SEM and EPM microhardness showed that there are heavier concentration of ions, with finer crystals and a lower degree of CH orientation at the interfacial zone between steel slag particles and cement paste. The study also found small cementitious and fibrous C-S-H crystals growing from the fine aggregate, which are linked with hydrated products form cement paste making the bond and structural characteristic more favorable with cement. The steel slag fine aggregate is an active mineral similar to cement. The bond between the aggregate and cement paste is strengthened both physically and chemically

  8. Surface rheological properties of liquid-liquid interfaces stabilized by protein fibrillar aggregates and protein-polysaccharide complexes

    NARCIS (Netherlands)

    Humblet-Hua, K.N.P.; Linden, van der E.; Sagis, L.M.C.

    2013-01-01

    In this study we have investigated the surface rheological properties of oil-water interfaces stabilized by fibrils from lysozyme (long and semi-flexible and short and rigid ones), fibrils from ovalbumin (short and semi-flexible), lysozyme-pectin complexes, or ovalbumin-pectin complexes. We have

  9. Population structure of manganese-oxidizing bacteria in stratified soils and properties of manganese oxide aggregates under manganese-complex medium enrichment.

    Directory of Open Access Journals (Sweden)

    Weihong Yang

    Full Text Available Manganese-oxidizing bacteria in the aquatic environment have been comprehensively investigated. However, little information is available about the distribution and biogeochemical significance of these bacteria in terrestrial soil environments. In this study, stratified soils were initially examined to investigate the community structure and diversity of manganese-oxidizing bacteria. Total 344 culturable bacterial isolates from all substrata exhibited Mn(II-oxidizing activities at the range of 1 µM to 240 µM of the equivalent MnO2. The high Mn(II-oxidizing isolates (>50 mM MnO2 were identified as the species of phyla Actinobacteria, Firmicutes and Proteobacteria. Seven novel Mn(II-oxidizing bacterial genera (species, namely, Escherichia, Agromyces, Cellulomonas, Cupriavidus, Microbacterium, Ralstonia, and Variovorax, were revealed via comparative phylogenetic analysis. Moreover, an increase in the diversity of soil bacterial community was observed after the combined enrichment of Mn(II and carbon-rich complex. The phylogenetic classification of the enriched bacteria represented by predominant denaturing gradient gel electrophoresis bands, was apparently similar to culturable Mn(II-oxidizing bacteria. The experiments were further undertaken to investigate the properties of the Mn oxide aggregates formed by the bacterial isolates with high Mn(II-oxidizing activity. Results showed that these bacteria were closely encrusted with their Mn oxides and formed regular microspherical aggregates under prolonged Mn(II and carbon-rich medium enrichment for three weeks. The biotic oxidation of Mn(II to Mn(III/IV by these isolates was confirmed by kinetic examinations. X-ray diffraction assays showed the characteristic peaks of several Mn oxides and rhodochrosite from these aggregates. Leucoberbelin blue tests also verified the Mn(II-oxidizing activity of these aggregates. These results demonstrated that Mn oxides were formed at certain amounts under the

  10. Mutation-based structural modification and dynamics study of amyloid beta peptide (1–42: An in-silico-based analysis to cognize the mechanism of aggregation

    Directory of Open Access Journals (Sweden)

    Pritam Kumar Panda

    2016-03-01

    Full Text Available Alzheimer's disease is the prevalent cause of premature senility, a progressive mental disorder due to degeneration in brain and deposition of amyloid β peptide (1–42, a misfolded protein in the form of aggregation that prevails for a prolonged time and obstructs every aspect of life. One of the primary hallmarks of the neuropathological disease is the accretion of amyloid β peptide in the brain that leads to Alzheimer's disease, but the mechanism is still a mystery. Several investigations have shown that mutations at specific positions have a significant impact in stability of the peptide as predicted from aggregation profiles. Here in our study, we have analyzed the mutations by substituting residues at position A22G, E22G, E22K, E22Q, D23N, L34V and molecular dynamics have been performed to check the deviation in stability and conformation of the peptide. The results validated that the mutations at specific positions lead to instability and the proline substitution at E22P and L34P stalled the aggregation of the peptide. Keywords: Amyloid β peptide, Alzheimer's disease, Aggregation, Mutational analysis, NAMD, UCSF Chimera, Discovery Studio Visualizer

  11. Mineralogical and chemical assessment of concrete damaged by the oxidation of sulfide-bearing aggregates: Importance of thaumasite formation on reaction mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, A. [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Duchesne, J., E-mail: josee.duchesne@ggl.ulaval.ca [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Fournier, B. [Centre de Recherche sur les Infrastructures en Beton (CRIB), Universite Laval, 1065 ave de la Medecine, Quebec, QC, Canada G1V 0A6 (Canada); Durand, B. [Institut de recherche d' Hydro-Quebec (IREQ), 1740 boul. Lionel-Boulet, Varennes, QC, Canada J3X 1S1 (Canada); Rivard, P. [Universite de Sherbrooke, Sherbrooke, QC, Canada J1K 2R1 (Canada); Shehata, M. [Ryerson University, 350 Victoria Street, Toronto, ON, Canada M5B 2K3 (Canada)

    2012-10-15

    Damages in concrete containing sulfide-bearing aggregates were recently observed in the Trois-Rivieres area (Quebec, Canada), characterized by rapid deterioration within 3 to 5 years after construction. A petrographic examination of concrete core samples was carried out using a combination of tools including: stereomicroscopic evaluation, polarized light microscopy, scanning electron microscopy, X-ray diffraction and electron microprobe analysis. The aggregate used to produce concrete was an intrusive igneous rock with different metamorphism degrees and various proportions of sulfide minerals. In the rock, sulfide minerals were often surrounded by a thin layer of carbonate minerals (siderite). Secondary reaction products observed in the damaged concrete include 'rust' mineral forms (e.g. ferric oxyhydroxides such as goethite, limonite (FeO (OH) nH{sub 2}O) and ferrihydrite), gypsum, ettringite and thaumasite. In the presence of water and oxygen, pyrrhotite oxidizes to form iron oxyhydroxides and sulphuric acid. The acid then reacts with the phases of the cement paste/aggregate and provokes the formation of sulfate minerals. Understanding both mechanisms, oxidation and internal sulfate attack, is important to be able to duplicate the damaging reaction in laboratory conditions, thus allowing the development of a performance test for evaluating the potential for deleterious expansion in concrete associated with sulfide-bearing aggregates.

  12. Mineralogical and chemical assessment of concrete damaged by the oxidation of sulfide-bearing aggregates: Importance of thaumasite formation on reaction mechanisms

    International Nuclear Information System (INIS)

    Rodrigues, A.; Duchesne, J.; Fournier, B.; Durand, B.; Rivard, P.; Shehata, M.

    2012-01-01

    Damages in concrete containing sulfide-bearing aggregates were recently observed in the Trois-Rivières area (Quebec, Canada), characterized by rapid deterioration within 3 to 5 years after construction. A petrographic examination of concrete core samples was carried out using a combination of tools including: stereomicroscopic evaluation, polarized light microscopy, scanning electron microscopy, X-ray diffraction and electron microprobe analysis. The aggregate used to produce concrete was an intrusive igneous rock with different metamorphism degrees and various proportions of sulfide minerals. In the rock, sulfide minerals were often surrounded by a thin layer of carbonate minerals (siderite). Secondary reaction products observed in the damaged concrete include “rust” mineral forms (e.g. ferric oxyhydroxides such as goethite, limonite (FeO (OH) nH 2 O) and ferrihydrite), gypsum, ettringite and thaumasite. In the presence of water and oxygen, pyrrhotite oxidizes to form iron oxyhydroxides and sulphuric acid. The acid then reacts with the phases of the cement paste/aggregate and provokes the formation of sulfate minerals. Understanding both mechanisms, oxidation and internal sulfate attack, is important to be able to duplicate the damaging reaction in laboratory conditions, thus allowing the development of a performance test for evaluating the potential for deleterious expansion in concrete associated with sulfide-bearing aggregates.

  13. Concrete produced with recycled aggregates

    Directory of Open Access Journals (Sweden)

    J. J. L. Tenório

    Full Text Available This paper presents the analysis of the mechanical and durable properties of recycled aggregate concrete (RAC for using in concrete. The porosity of recycled coarse aggregates is known to influence the fresh and hardened concrete properties and these properties are related to the specific mass of the recycled coarse aggregates, which directly influences the mechanical properties of the concrete. The recycled aggregates were obtained from construction and demolition wastes (CDW, which were divided into recycled sand (fine and coarse aggregates. Besides this, a recycled coarse aggregate of a specific mass with a greater density was obtained by mixing the recycled aggregates of the CDW with the recycled aggregates of concrete wastes (CW. The concrete was produced in laboratory by combining three water-cement ratios, the ratios were used in agreement with NBR 6118 for structural concretes, with each recycled coarse aggregates and recycled sand or river sand, and the reference concrete was produced with natural aggregates. It was observed that recycled aggregates can be used in concrete with properties for structural concrete. In general, the use of recycled coarse aggregate in combination with recycled sand did not provide good results; but when the less porous was used, or the recycled coarse aggregate of a specific mass with a greater density, the properties of the concrete showed better results. Some RAC reached bigger strengths than the reference concrete.

  14. Inclusion Mechanism and Heat Stability of the Complex of 4 ...

    African Journals Online (AJOL)

    The physicochemical properties of the complex were evaluated by Fourier transform infrared spectroscopy (FT-IR) and x-ray diffractometry (XRD) while the heat stability of the complex was measured by thermogravimetric/differential scanning calorimetry (TG/DSC). Results: The stability constants of the complexes were ...

  15. Experimental qualification of mechanical and electrical sub-systems of a complex mechanism against fatigue failure

    International Nuclear Information System (INIS)

    Patri, Sudheer; Vijayashree, R.; Rajan Babu, V.; Suresh Kumar, S.; Chandramouli, S.; Meikandamurthy, C.; Prakash, V.; Rajan, K.K.; Srinivasan, G.

    2016-01-01

    Absorber rod drive mechanisms (ARDM) play an important role in ensuring safety of a reactor by rapid insertion of an Absorber rod (AR) during abnormal conditions. Various components/sub-systems of ARDMs, both mechanical and electrical, are subjected to different cyclic loadings during service life. Thus, qualifying these systems against fatigue is an important step for gaining confidence in their safe operation for the design life. ASME in Sec. III, Div. 1, Appendices (Para II - 1500) provides guidelines for the experimental evaluation of the capability of components to withstand cyclic loading. These rules are developed for static components like pressure vessels. Since no such rules are available for moving components like mechanisms, the same were adopted for the ARDMs, with an understanding that the effect of inertia loads of a moving component are to be accounted in the experiments. In application of these rules to a complex mechanisms such as ARDM, various special cases arise which are not addressed explicitly in the code. The paper describes the intelligent adoption of the fatigue life rules given in ASME to various special cases and their extension to electrical systems. The paper also outlines the experiments carried out for qualifying the ARDM against fatigue. (author)

  16. Graph Aggregation

    NARCIS (Netherlands)

    Endriss, U.; Grandi, U.

    Graph aggregation is the process of computing a single output graph that constitutes a good compromise between several input graphs, each provided by a different source. One needs to perform graph aggregation in a wide variety of situations, e.g., when applying a voting rule (graphs as preference

  17. The Pathogenic A2V Mutant Exhibits Distinct Aggregation Kinetics, Metal Site Structure, and Metal Exchange of the Cu2+ -Aβ Complex

    DEFF Research Database (Denmark)

    Somavarapu, Arun Kumar; Shen, Fei; Teilum, Kaare

    2017-01-01

    2V. 1H NMR relaxation exhibits the same trend for the non-coordinating aromatic residues (A2T2V), and implies markedly faster inter-peptide Cu2+exchange for the A2V variant than for WT and A2T. We therefore hypothesize that component I of the Cu–Aβ complex is related to pathogenicity......A prominent current hypothesis is that impaired metal ion homeostasis may contribute to Alzheimer's disease (AD). We elucidate the interaction of Cu2+ with wild-type (WT) Aβ1–40 and the genetic variants A2T and A2V which display increasing pathogenicity as A2T2V. Cu2+ significantly extends...... the lag phase in aggregation kinetics, in particular for the pathogenic A2V variant. Additionally, a rapid, initial, low intensity ThT response is observed, possibly reflecting formation of Cu2+ induced amorphous aggregates, as supported by atomic force microscopy (AFM) and circular dichroism (CD...

  18. Influence of mechanical cell salvage on red blood cell aggregation, deformability, and 2,3-diphosphoglycerate in patients undergoing cardiac surgery with cardiopulmonary bypass.

    Science.gov (United States)

    Gu, Y John; Vermeijden, Wytze J; de Vries, Adrianus J; Hagenaars, J Ans M; Graaff, Reindert; van Oeveren, Willem

    2008-11-01

    Mechanical cell salvage is increasingly used during cardiac surgery. Although this procedure is considered safe, it is unknown whether it affects the red blood cell (RBC) function, especially the RBC aggregation, deformability, and the contents of 2,3-diphosphoglycerate (2,3-DPG). This study examines the following: (1) whether the cell salvage procedure influences RBC function; and (2) whether retransfusion of the salvaged blood affects RBC function in patients. Forty patients undergoing cardiac surgery with cardiopulmonary bypass were randomly allocated to a cell saver group (n = 20) or a control group (n = 20). In the cell saver group, the blood aspirated from the wound area and the residual blood from the heart-lung machine were processed with a continuous-flow cell saver before retransfusion. In the control group this blood was retransfused without processing. The RBC aggregation and deformability were measured with a laser-assisted optical rotational cell analyzer and 2,3,-DPG by conventional laboratory test. The cell saver procedure did not influence the RBC aggregation but significantly reduced the RBC deformability (p = 0.007) and the content of RBC 2,3-DPG (p = 0.032). However, in patients receiving the processed blood, their intraoperative and postoperative RBC aggregation, deformability, and 2,3-DPG content did not differ from those of the control patients. Both groups of patients had a postoperative drop of RBC function as a result of hemodilution. The mechanical cell salvage procedure reduces the RBC deformability and the cell 2,3-DPG content. Retransfusion of the processed blood by cell saver does not further compromise the RBC function in patients undergoing cardiac surgery with cardiopulmonary bypass.

  19. Mechanical Properties of High Strength Concrete Containing Coal Bottom Ash and Oil-Palm Boiler Clinker as Fine Aggregates

    Directory of Open Access Journals (Sweden)

    Soofinajafi Mahmood

    2016-01-01

    Full Text Available This research aims to utilize Coal Furnace Bottom ash (CBA and Oil-Palm Boiler Clinker (OPBC as fine aggregate in concrete mix proportions. They are solid wastes from power plant and Oil Palm industry, respectively. Since these by-products do not have any primary use and are pure waste, an opportunity to use them as aggregate in concrete industry not only is economical but also will be an environmental friendly opportunity leading towards a more sustainable production chain. CBA and OPBC sands had similar grading to normal sand but have lower density and higher water absorption. In a high strength concrete, normal sand was replaced up to 25% with either CBA or OPBC. Test results showed that although water absorption of these wastes was more than normal sand but the slump value of concrete containing each of these wastes showed that these concretes had good workability. All mixes containing these wastes had slightly lower compressive strength at early ages and equivalent or higher compressive strength at later ages compared to control mix. The 28-day compressive strength of these concretes was in the range of 69–76 MPa which can be categorized as high strength concrete. In general, the performance of OPBC was better than CBA at 25% replacement level. However, it is recommended that at least 12.5% of total volume of fine aggregate in a high strength concrete is used of CBA or OPBC.

  20. Rydberg aggregates

    Science.gov (United States)

    Wüster, S.; Rost, J.-M.

    2018-02-01

    We review Rydberg aggregates, assemblies of a few Rydberg atoms exhibiting energy transport through collective eigenstates, considering isolated atoms or assemblies embedded within clouds of cold ground-state atoms. We classify Rydberg aggregates, and provide an overview of their possible applications as quantum simulators for phenomena from chemical or biological physics. Our main focus is on flexible Rydberg aggregates, in which atomic motion is an essential feature. In these, simultaneous control over Rydberg-Rydberg interactions, external trapping and electronic energies, allows Born-Oppenheimer surfaces for the motion of the entire aggregate to be tailored as desired. This is illustrated with theory proposals towards the demonstration of joint motion and excitation transport, conical intersections and non-adiabatic effects. Additional flexibility for quantum simulations is enabled by the use of dressed dipole-dipole interactions or the embedding of the aggregate in a cold gas or Bose-Einstein condensate environment. Finally we provide some guidance regarding the parameter regimes that are most suitable for the realization of either static or flexible Rydberg aggregates based on Li or Rb atoms. The current status of experimental progress towards enabling Rydberg aggregates is also reviewed.

  1. Marine Synechococcus Aggregation

    Science.gov (United States)

    Neuer, S.; Deng, W.; Cruz, B. N.; Monks, L.

    2016-02-01

    Cyanobacteria are considered to play an important role in the oceanic biological carbon pump, especially in oligotrophic regions. But as single cells are too small to sink, their carbon export has to be mediated by aggregate formation and possible consumption by zooplankton producing sinking fecal pellets. Here we report results on the aggregation of the ubiquitous marine pico-cyanobacterium Synechococcus as a model organism. We first investigated the mechanism behind such aggregation by studying the potential role of transparent exopolymeric particles (TEP) and the effects of nutrient (nitrogen or phosphorus) limitation on the TEP production and aggregate formation of these pico-cyanobacteria. We further studied the aggregation and subsequent settling in roller tanks and investigated the effects of the clays kaolinite and bentonite in a series of concentrations. Our results show that despite of the lowered growth rates, Synechococcus in nutrient limited cultures had larger cell-normalized TEP production, formed a greater volume of aggregates, and resulted in higher settling velocities compared to results from replete cultures. In addition, we found that despite their small size and lack of natural ballasting minerals, Synechococcus cells could still form aggregates and sink at measureable velocities in seawater. Clay minerals increased the number and reduced the size of aggregates, and their ballasting effects increased the sinking velocity and carbon export potential of aggregates. In comparison with the Synechococcus, we will also present results of the aggregation of the pico-cyanobacterium Prochlorococcus in roller tanks. These results contribute to our understanding in the physiology of marine Synechococcus as well as their role in the ecology and biogeochemistry in oligotrophic oceans.

  2. Recovering protein-protein and domain-domain interactions from aggregation of IP-MS proteomics of coregulator complexes.

    Directory of Open Access Journals (Sweden)

    Amin R Mazloom

    2011-12-01

    Full Text Available Coregulator proteins (CoRegs are part of multi-protein complexes that transiently assemble with transcription factors and chromatin modifiers to regulate gene expression. In this study we analyzed data from 3,290 immuno-precipitations (IP followed by mass spectrometry (MS applied to human cell lines aimed at identifying CoRegs complexes. Using the semi-quantitative spectral counts, we scored binary protein-protein and domain-domain associations with several equations. Unlike previous applications, our methods scored prey-prey protein-protein interactions regardless of the baits used. We also predicted domain-domain interactions underlying predicted protein-protein interactions. The quality of predicted protein-protein and domain-domain interactions was evaluated using known binary interactions from the literature, whereas one protein-protein interaction, between STRN and CTTNBP2NL, was validated experimentally; and one domain-domain interaction, between the HEAT domain of PPP2R1A and the Pkinase domain of STK25, was validated using molecular docking simulations. The scoring schemes presented here recovered known, and predicted many new, complexes, protein-protein, and domain-domain interactions. The networks that resulted from the predictions are provided as a web-based interactive application at http://maayanlab.net/HT-IP-MS-2-PPI-DDI/.

  3. Influence of thylakoid membrane lipids on the structure of aggregated light-harvesting complexes of the diatom Thalassiosira pseudonana and the green alga Mantoniella squamata.

    Science.gov (United States)

    Schaller-Laudel, Susann; Latowski, Dariusz; Jemioła-Rzemińska, Małgorzata; Strzałka, Kazimierz; Daum, Sebastian; Bacia, Kirsten; Wilhelm, Christian; Goss, Reimund

    2017-07-01

    The study investigated the effect of the thylakoid membrane lipids monogalactosyldiacylglycerol (MGDG), digalactosyldiacylglycerol (DGDG), sulphoquinovosyldiacylglycerol (SQDG) and phosphatidylglycerol (PG) on the structure of two algal light-harvesting complexes (LHCs). In contrast to higher plants whose thylakoid membranes are characterized by an enrichment of the neutral galactolipids MGDG and DGDG, both the green alga Mantoniella squamata and the centric diatom Thalassiosira pseudonana contain membranes with a high content of the negatively charged lipids SQDG and PG. The algal thylakoids do not show the typical grana-stroma differentiation of higher plants but a regular arrangement. To analyze the effect of the membrane lipids, the fucoxanthin chlorophyll protein (FCP) complex of T. pseudonana and the LHC of M. squamata (MLHC) were prepared by successive cation precipitation using Triton X-100 as detergent. With this method, it is possible to isolate LHCs with a reduced amount of associated lipids in an aggregated state. The results from 77 K fluorescence and photon correlation spectroscopy show that neither the neutral galactolipids nor the negatively charged lipids are able to significantly alter the aggregation state of the FCP or the MLHC. This is in contrast to higher plants where SQDG and PG lead to a strong disaggregation of the LHCII whereas MGDG and DGDG induce the formation of large macroaggregates. The results indicate that LHCs which are integrated into thylakoid membranes with a high amount of negatively charged lipids and a regular arrangement are less sensitive to lipid-induced structural alterations than their counterparts in membranes enriched in neutral lipids with a grana-stroma differentiation. © 2017 Scandinavian Plant Physiology Society.

  4. Albumin is synthesized in epididymis and aggregates in a high molecular mass glycoprotein complex involved in sperm-egg fertilization.

    Directory of Open Access Journals (Sweden)

    Kélen Fabíola Arroteia

    Full Text Available The epididymis has an important role in the maturation of sperm for fertilization, but little is known about the epididymal molecules involved in sperm modifications during this process. We have previously described the expression pattern for an antigen in epididymal epithelial cells that reacts with the monoclonal antibody (mAb TRA 54. Immunohistochemical and immunoblotting analyses suggest that the epitope of the epididymal antigen probably involves a sugar moiety that is released into the epididymal lumen in an androgen-dependent manner and subsequently binds to luminal sperm. Using column chromatography, SDS-PAGE with in situ digestion and mass spectrometry, we have identified the protein recognized by mAb TRA 54 in mouse epididymal epithelial cells. The ∼65 kDa protein is part of a high molecular mass complex (∼260 kDa that is also present in the sperm acrosomal vesicle and is completely released after the acrosomal reaction. The amino acid sequence of the protein corresponded to that of albumin. Immunoprecipitates with anti-albumin antibody contained the antigen recognized by mAb TRA 54, indicating that the epididymal molecule recognized by mAb TRA 54 is albumin. RT-PCR detected albumin mRNA in the epididymis and fertilization assays in vitro showed that the glycoprotein complex containing albumin was involved in the ability of sperm to recognize and penetrate the egg zona pellucida. Together, these results indicate that epididymal-derived albumin participates in the formation of a high molecular mass glycoprotein complex that has an important role in egg fertilization.

  5. Complex numbers, quantum mechanics and the beginning of time

    International Nuclear Information System (INIS)

    Gibbons, G.W.; Pohle, H.J.

    1993-01-01

    A basic problem in quantizing a field in curved space is the decomposition of the classical modes in positive and negative frequency. The decomposition is equivalent to a choice of a complex structure in the space of classical solutions. In our construction the real tunneling geometries provide the link between this complex structure and analytic properties of the classical solutions in a riemannian section of space. This is related to the Osterwalder-Schrader approach to euclidean field theory. (orig.)

  6. Fractal Aggregates in Tennis Ball Systems

    Science.gov (United States)

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

    2009-01-01

    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…

  7. Effects of heavy weight waste glass recycled as fine aggregate on the mechanical properties of mortar specimens

    International Nuclear Information System (INIS)

    Choi, So Yeong; Choi, Yoon Suk; Yang, Eun Ik

    2017-01-01

    Highlights: • The properties of mortar used heavy weight waste glass as fine aggregate were compared. • Unit volume weight and shielding performance increased with the content of waste glass. • However, the strength decreased as the waste glass substitution increased. • The waste glass substitution affected on pores ranging from 10–100 nm. - Abstract: The quantities of heavy weight waste glass have increased over time due to rapid industrialization and changes in the quality of life. Moreover, most of this waste is not recycled. Concrete is the most widely used construction material, the huge amounts of natural resources are required to make concrete. Therefore, it is necessary to investigate the possibility of recycling of heavy weight waste glass as an ingredient in the manufacturing of concrete. In this study, the suitability of heavy weight waste glass as a fine aggregate material is considered. The results of flow test, unit volume weight, radiation shielding performance, compressive strength, flexural strength, and micropore and macropore distribution of mortar are compared and evaluated. It was found that when the heavy weight waste glass substitution ratio increases, the fluidity, unit volume weight and radiation shielding performance also increase. However, the compressive and flexural strength of mortar gradually decrease with an increase in the substitution ratio of heavy weight waste glass. Moreover, the micro pore size distribution is significantly affected by the substitution of heavy weight waste glass.

  8. Rumor Spreading Model with Trust Mechanism in Complex Social Networks

    International Nuclear Information System (INIS)

    Wang Ya-Qi; Yang Xiao-Yuan; Han Yi-Liang; Wang Xu-An

    2013-01-01

    In this paper, to study rumor spreading, we propose a novel susceptible-infected-removed (SIR) model by introducing the trust mechanism. We derive mean-field equations that describe the dynamics of the SIR model on homogeneous networks and inhomogeneous networks. Then a steady-state analysis is conducted to investigate the critical threshold and the final size of the rumor spreading. We show that the introduction of trust mechanism reduces the final rumor size and the velocity of rumor spreading, but increases the critical thresholds on both networks. Moreover, the trust mechanism not only greatly reduces the maximum rumor influence, but also postpones the rumor terminal time, which provides us with more time to take measures to control the rumor spreading. The theoretical results are confirmed by sufficient numerical simulations. (interdisciplinary physics and related areas of science and technology)

  9. Rumor Spreading Model with Trust Mechanism in Complex Social Networks

    Science.gov (United States)

    Wang, Ya-Qi; Yang, Xiao-Yuan; Han, Yi-Liang; Wang, Xu-An

    2013-04-01

    In this paper, to study rumor spreading, we propose a novel susceptible-infected-removed (SIR) model by introducing the trust mechanism. We derive mean-field equations that describe the dynamics of the SIR model on homogeneous networks and inhomogeneous networks. Then a steady-state analysis is conducted to investigate the critical threshold and the final size of the rumor spreading. We show that the introduction of trust mechanism reduces the final rumor size and the velocity of rumor spreading, but increases the critical thresholds on both networks. Moreover, the trust mechanism not only greatly reduces the maximum rumor influence, but also postpones the rumor terminal time, which provides us with more time to take measures to control the rumor spreading. The theoretical results are confirmed by sufficient numerical simulations.

  10. Exponential complexity and ontological theories of quantum mechanics

    International Nuclear Information System (INIS)

    Montina, A.

    2008-01-01

    Ontological theories of quantum mechanics describe a single system by means of well-defined classical variables and attribute the quantum uncertainties to our ignorance about the underlying reality represented by these variables. We consider the general class of ontological theories describing a quantum system by a set of variables with Markovian (either deterministic or stochastic) evolution. We provide proof that the number of continuous variables cannot be smaller than 2N-2, N being the Hilbert-space dimension. Thus, any ontological Markovian theory of quantum mechanics requires a number of variables which grows exponentially with the physical size. This result is relevant also in the framework of quantum Monte Carlo methods

  11. Mechanism of water oxidation by trivalent ruthenium trisdipyridyl complex

    International Nuclear Information System (INIS)

    Moravskij, A.P.; Khannanov, N.K.; Khramov, A.V.; Shafirovich, V.Ya.

    1983-01-01

    Results of kinetic investigation of water oxidation reaction with photogenerated single-electron oxidizer-trisdipyridyl complex of Ru(3) are presented. CoCl 2 x6H 2 O within the concentration range of [Co 2+ ] 0 =5x10 -7 - 5x10 -5 M was used as a reaction catalyst. The method of stopped flow with spectrophotometric recording was used in order to control the reaction kinetics

  12. Decaying states as complex energy eigenvectors in generalized quantum mechanics

    International Nuclear Information System (INIS)

    Sudarshan, E.C.G.; Chiu, C.B.; Gorini, V.

    1977-04-01

    The problem of particle decay is reexamined within the Hamiltonian formalism. By deforming contours of integration, the survival amplitude is expressed as a sum of purely exponential contributions arising from the simple poles of the resolvent on the second sheet plus a background integral along a complex contour GAMMA running below the location of the poles. One observes that the time dependence of the survival amplitude in the small time region is strongly correlated to the asymptotic behaviour of the energy spectrum of the system; one computes the small time behavior of the survival amplitude for a wide variety of asymptotic behaviors. In the special case of the Lee model, using a formal procedure of analytic continuation, it is shown that a complete set of complex energy eigenvectors of the Hamiltonian can be associated with the poles of the resolvent of the background contour GAMMA. These poles and points along GAMMA correspond to the discrete and the continuum states respectively. In this context, each unstable particle is associated with a well defined object, which is a discrete generalized eigenstate of the Hamiltonian having a complex eigenvalue, with its real and negative imaginary parts being the mass and half width of the particle respectively. Finally, one briefly discusses the analytic continuation of the scattering amplitude within this generalized scheme, and notes the appearance of ''redundant poles'' which do not correspond to discrete solutions of the modified eigenvalue problem

  13. Production compilation : A simple mechanism to model complex skill acquisition

    NARCIS (Netherlands)

    Taatgen, N.A.; Lee, F.J.

    2003-01-01

    In this article we describe production compilation, a mechanism for modeling skill acquisition. Production compilation has been developed within the ACT-Rational (ACT-R; J. R. Anderson, D. Bothell, M. D. Byrne, & C. Lebiere, 2002) cognitive architecture and consists of combining and specializing

  14. Topics in Probabilistic Judgment Aggregation

    Science.gov (United States)

    Wang, Guanchun

    2011-01-01

    This dissertation is a compilation of several studies that are united by their relevance to probabilistic judgment aggregation. In the face of complex and uncertain events, panels of judges are frequently consulted to provide probabilistic forecasts, and aggregation of such estimates in groups often yield better results than could have been made…

  15. Ductile fracture mechanics methodology for complex cracks in nuclear piping

    Energy Technology Data Exchange (ETDEWEB)

    Zahoor, A.

    1988-02-01

    Limit load and J-integral estimation solutions are developed for circumferentially complex-cracked pipes in bending. The limit load solution is developed using thick-walled cylinder analysis which included the effects of flaw depth accurately. J-integral estimation solutions are developed that are suitable for a wide range of loading from linear elastic, elastic-plastic to net-section yielding of the flawed section. Mode I stress intensity factor solution is developed from experimental compliance data. Two types of J solutions are developed. First, J solutions for determining the J-resistance curve from single load-displacement record are presented. Next, elastic-plastic J solution in the format of EPRI J estimation scheme is presented. The latter solution was used to predict the load carrying capacity of complex-cracked pipes made of Type-304 stainless steel, Inconel 600, and A106 GrB materials. Predictions were compared against pipe tests to demonstrate the accuracy of the limit load and J estimation solutions.

  16. Ductile fracture mechanics methodology for complex cracks in nuclear piping

    International Nuclear Information System (INIS)

    Zahoor, A.

    1988-01-01

    Limit load and J-integral estimation solutions are developed for circumferentially complex-cracked pipes in bending. The limit load solution is developed using thick-walled cylinder analysis which included the effects of flaw depth accurately. J-integral estimation solutions are developed that are suitable for a wide range of loading from linear elastic, elastic-plastic to net-section yielding of the flawed section. Mode I stress intensity factor solution is developed from experimental compliance data. Two types of J solutions are developed. First, J solutions for determining the J-resistance curve from single load-displacement record are presented. Next, elastic-plastic J solution in the format of EPRI J estimation scheme is presented. The latter solution was used to predict the load carrying capacity of complex-cracked pipes made of Type-304 stainless steel, Inconel 600, and A106 GrB materials. Predictions were compared against pipe tests to demonstrate the accuracy of the limit load and J estimation solutions. (orig.)

  17. Value of the Debris of Reduction Sculpture: Thiol Etching of Au Nanoclusters for Preparing Water-Soluble and Aggregation-Induced Emission-Active Au(I) Complexes as Phosphorescent Copper Ion Sensor.

    Science.gov (United States)

    Shu, Tong; Su, Lei; Wang, Jianxing; Lu, Xin; Liang, Feng; Li, Chenzhong; Zhang, Xueji

    2016-06-07

    Chemical etching of gold by thiols has been known to be capable of generating nonluminescent gold(I) complexes, e.g., in size-focusing synthesis of atomically precise gold nanoclusters (GNCs). These nonluminescent gold(I) complexes have usually been considered as useless or worthless byproducts. This study shows a promising potential of thiol etching of GNCs to prepare novel water-soluble and phosphorescent gold(I) materials for sensing application. First, cysteamine-induced etching of GNCs is used to produce nonluminescent oligomeric gold(I)-thiolate complexes. Then, cadmium ion induces the aggregation of these oligomeric complexes to produce highly water-soluble ultrasmall intra-aggregates. These intra-aggregates can phosphoresce both in dilute aqueous solutions and in the solid phase. Studies on the effect of pH on their phosphorescent emission reveal the importance of the interaction between the amino groups of the ligands and cadmium ion for their phosphorescent emission property. Furthermore, Cu(2+) ion is found to quickly quench the phosphorescent emission of the intra-aggregates and simultaneously cause a Cu(2+)-concentration-dependent peak wavelength shift, enabling the establishment of a novel colorimetric sensor for sensitive and selective visual sensing of Cu(2+).

  18. Inhibition of neutrophil migration by aggregated immunoglobulin attached to micropore membranes.

    Science.gov (United States)

    Kemp, A S; Brown, S

    1980-01-01

    The effect of substrate-bound immunoglobulin on neutrophil migration was examined. Immunoglobulin aggregates bound to micropore membranes inhibited the neutrophil response to a chemotactic stimulus. This inhibition was reversed by the presence of aggregates in suspension suggesting competition between substrate-bound and free aggregates for neutrophil surface binding sites. The immobilization of neutrophils by substrate-bound aggregated immunoglobulin suggests a mechanism for the accumulation of neutrophils at sites of immune complex deposition and tissue-bound antibodies in vivo. PMID:7380477

  19. Statistical mechanics of complex neural systems and high dimensional data

    International Nuclear Information System (INIS)

    Advani, Madhu; Lahiri, Subhaneil; Ganguli, Surya

    2013-01-01

    Recent experimental advances in neuroscience have opened new vistas into the immense complexity of neuronal networks. This proliferation of data challenges us on two parallel fronts. First, how can we form adequate theoretical frameworks for understanding how dynamical network processes cooperate across widely disparate spatiotemporal scales to solve important computational problems? Second, how can we extract meaningful models of neuronal systems from high dimensional datasets? To aid in these challenges, we give a pedagogical review of a collection of ideas and theoretical methods arising at the intersection of statistical physics, computer science and neurobiology. We introduce the interrelated replica and cavity methods, which originated in statistical physics as powerful ways to quantitatively analyze large highly heterogeneous systems of many interacting degrees of freedom. We also introduce the closely related notion of message passing in graphical models, which originated in computer science as a distributed algorithm capable of solving large inference and optimization problems involving many coupled variables. We then show how both the statistical physics and computer science perspectives can be applied in a wide diversity of contexts to problems arising in theoretical neuroscience and data analysis. Along the way we discuss spin glasses, learning theory, illusions of structure in noise, random matrices, dimensionality reduction and compressed sensing, all within the unified formalism of the replica method. Moreover, we review recent conceptual connections between message passing in graphical models, and neural computation and learning. Overall, these ideas illustrate how statistical physics and computer science might provide a lens through which we can uncover emergent computational functions buried deep within the dynamical complexities of neuronal networks. (paper)

  20. Interaction between holo transferrin and HSA-PPIX complex in the presence of lomefloxacin: An evaluation of PPIX aggregation in protein-protein interactions

    Science.gov (United States)

    Sattar, Zohreh; Iranfar, Hediye; Asoodeh, Ahmad; Saberi, Mohammad Reza; Mazhari, Mahboobeh; Chamani, Jamshidkhan

    2012-11-01

    Human serum albumin (HSA) and holo transferrin (TF) are two serum carrier proteins that are able to interact with each other, thereby altering their binding behavior toward their ligands. During the course of this study, the interaction between HSA-PPIX and TF, in the presence and absence of lomefloxacin (LMF), was for the first time investigated using different spectroscopic and molecular modeling techniques. Fluorescence spectroscopy experiments were performed in order to study conformational changes of proteins. The RLS technique was utilized to investigate the effect of LMF on J-aggregation of PPIX, which is the first report of its kind. Our findings present clear-cut evidence for the alteration of interactions between HSA and TF in the presence of PPIX and changes in drug-binding to HSA and HSA-PPIX complex upon interaction with TF. Moreover, molecular modeling studies suggested that the binding site for LMF became switched in the presence of PPIX, and that LMF bound to the site IIA of HSA. The obtained results should give new insight into research in this field and may cast some light on the dynamics of drugs in biological systems.

  1. Mechanisms mediating the perception of complex acoustic patterns

    Science.gov (United States)

    Warren, Richard M.

    1990-11-01

    Five studies were completed: (1) It was found that, following repetition, long period (500 ms) random waveforms excised from Gaussian noise could be identified when embedded in longer segments of Gaussian noise even when the inter-stimulus interval exceeded the limits of echoic memory; (2) It was demonstrated that some spectral regions of these long-period random waveforms could be recognized with greater accuracy than others; (3) Experiments with three consecutive odd-numbered harmonics demonstrated that triads with low harmonic numbers have a pitch corresponding to the fundamental of the harmonic series, but triads centered at the 9th or 11th harmonic had pitches roughly one octave higher. Deviations from the octave were consistent with the waveform pseudoperiodicities. These pitch judgements have implications for theories concerning the bases from the dominant region of complex tones. Two series of experiments involving (4) the vowel conversion effect and (5) dichotic verbal transformations, which compared the rules governing perceptual organization of speech in Japanese and English, were carried out by the principal investigator during May and June at the Basic Research Laboratories of the Nippon Telegraph and Telephone Co., Tokyo.

  2. Orofacial complex regional pain syndrome: pathophysiologic mechanisms and functional MRI.

    Science.gov (United States)

    Lee, Yeon-Hee; Lee, Kyung Mi; Kim, Hyug-Gi; Kang, Soo-Kyung; Auh, Q-Schick; Hong, Jyung-Pyo; Chun, Yang-Hyun

    2017-08-01

    Complex regional pain syndrome (CRPS) is one of the most challenging chronic pain conditions and is characterized by burning pain, allodynia, hyperalgesia, autonomic changes, trophic changes, edema, and functional loss involving mainly the extremities. Until recently, very few reports have been published concerning CRPS involving the orofacial area. We report on a 50-year-old female patient who presented with unbearable pain in all of her teeth and hypersensitivity of the facial skin. She also reported intractable pain in both extremities accompanied by temperature changes and orofacial pain that increased when the other pains were aggravated. In the case of CRPS with trigeminal neuropathic pain, protocols for proper diagnosis and prompt treatment have yet to be established in academia or in the clinical field. We performed functional magnetic resonance imaging for a thorough analysis of the cortical representation of the affected orofacial area immediately before and immediately after isolated light stimulus of the affected hand and foot and concluded that CRPS can be correlated with trigeminal neuropathy in the orofacial area. Furthermore, the patient was treated with carbamazepine administration and stellate ganglion block, which can result in a rapid improvement of pain in the trigeminal region. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Some applications of magnetic resonance imaging in fluid mechanics: Complex flows and complex fluids

    NARCIS (Netherlands)

    Bonn, Daniel; Rodts, Stephane; Groenink, Maarten; Rafai, Salima; Shahidzadeh-Bonn, Noushine; Coussot, Philippe

    2008-01-01

    The review deals with applications of magnetic resonance imaging (MRI) techniques to study flow. We first briefly discuss the principles of flow measurement by MRI and give examples of some applications, such as multiphase flows, the MRI rheology of complex fluid flows, and blood flows in the human

  4. Research on Evolutionary Mechanism of Agile Supply Chain Network via Complex Network Theory

    Directory of Open Access Journals (Sweden)

    Nai-Ru Xu

    2016-01-01

    Full Text Available The paper establishes the evolutionary mechanism model of agile supply chain network by means of complex network theory which can be used to describe the growth process of the agile supply chain network and analyze the complexity of the agile supply chain network. After introducing the process and the suitability of taking complex network theory into supply chain network research, the paper applies complex network theory into the agile supply chain network research, analyzes the complexity of agile supply chain network, presents the evolutionary mechanism of agile supply chain network based on complex network theory, and uses Matlab to simulate degree distribution, average path length, clustering coefficient, and node betweenness. Simulation results show that the evolution result displays the scale-free property. It lays the foundations of further research on agile supply chain network based on complex network theory.

  5. Super-quenched Molecular Probe Based on Aggregation-Induced Emission and Photoinduced Electron Transfer Mechanisms for Formaldehyde Detection in Human Serum.

    Science.gov (United States)

    Yang, Haitao; Wang, Fujia; Zheng, Jilin; Lin, Hao; Liu, Bin; Tang, Yi-Da; Zhang, Chong-Jing

    2018-06-04

    Energy transfer between fluorescent dyes and quenchers is widely used in the design of light-up probes. Although dual quenchers are more effective in offering lower background signals and higher turn-on ratios than one quencher, such probes are less explored in practice as they require both quenchers to be within the proximity of the fluorescent core. In this contribution, we utilized intramolecular motion and photoinduced electron transfer (PET) as quenching mechanisms to build super-quenched light-up probes based on fluorogens with aggregation-induced emission. The optimized light-up probe possesses negligible background and is able to detect not only free formaldehyde (FA) but also polymeric FA, with an unprecedented turn-on ratio of >4900. We envision that this novel dual quenching strategy will help to develop various light-up probes for analyte sensing. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Swarming mechanisms in the yellow fever mosquito: aggregation pheromones involved in the mating behavior of Aedes aegypti

    Science.gov (United States)

    Mosquitoes of various species mate in swarms comprised of tens to thousands flying males. Yet little information is known about mosquito swarming mechanism. Discovering chemical cues involved in mosquito biology leads to better adaptation of disease control interventions. In this study, we aimed ...

  7. Modulating the aggregation behaviour to restore the mechanical response of acid induced mixed gels of sodium caseinate and soy proteins

    NARCIS (Netherlands)

    Martin, Anneke H.; Los Reyes Jiménez, De Marta L.; Pouvreau, Laurice

    2016-01-01

    Partial replacement of milk proteins with plant proteins is a challenge due to the reported negative effect on physical and sensory properties. Understanding of how the mechanical properties of acidified milk gels can be restored when 30% casein is replaced with soy proteins is therefore

  8. Modulating the aggregation behaviour to restore the mechanical response of acid induced mixed gels of sodium caseinate and soy proteins

    NARCIS (Netherlands)

    Martin, A.H.; Reyes Jiménez, M. L. de los; Pouvreau, L.

    2016-01-01

    Partial replacement of milk proteins with plant proteins is a challenge due to the reported negative effect on physical and sensory properties. Understanding of how the mechanical properties of acidified milk gels can be restored when 30% casein is replaced with soy proteins is therefore explored.

  9. CONTROLLING AS A MECHANISM TO INCREASE THE EFFICIENCY OF MANAGEMENT ENTERPRISES OF FUEL-ENERGY COMPLEX

    Directory of Open Access Journals (Sweden)

    M. A. Ostashkin

    2013-01-01

    Full Text Available This article discusses the possibility of application of controlling as mechanism of increasing the efficiency of management of enterprises of fuel- energy complex. The research was conducted on the materials of the JSC «Gazprom».

  10. Application of Bipartite Entangled States to Quantum Mechanical Version of Complex Wavelet Transforms

    International Nuclear Information System (INIS)

    Fan Hongyi; Lu Hailiang; Xu Xuefen

    2006-01-01

    We introduce the bipartite entangled states to present a quantum mechanical version of complex wavelet transform. Using the technique of integral within an ordered product of operators we show that the complex wavelet transform can be studied in terms of various quantum state vectors in two-mode Fock space. In this way the creterion for mother wavelet can be examined quantum-mechanically and therefore more deeply.

  11. Mechanism of management of competitiveness of production of agrarian and industrial complex

    Directory of Open Access Journals (Sweden)

    Buryak E. A.

    2016-04-01

    Full Text Available the concept of competitiveness and mechanisms of management of competitiveness of production is considered. Major factors of ensuring competitiveness of production of agrarian and industrial complex are allocated. The main problems of production of wheat in the Republic of Crimea making negative impact on the level of her competitiveness are revealed. The mechanism of management of competitiveness of production of agrarian and industrial complex is developed.

  12. Mobility and Position Error Analysis of a Complex Planar Mechanism with Redundant Constraints

    Science.gov (United States)

    Sun, Qipeng; Li, Gangyan

    2018-03-01

    Nowadays mechanisms with redundant constraints have been created and attracted much attention for their merits. The mechanism of the redundant constraints in a mechanical system is analyzed in this paper. A analysis method of Planar Linkage with a repetitive structure is proposed to get the number and type of constraints. According to the difference of applications and constraint characteristics, the redundant constraints are divided into the theoretical planar redundant constraints and the space-planar redundant constraints. And the calculation formula for the number of redundant constraints and type of judging method are carried out. And a complex mechanism with redundant constraints is analyzed of the influence about redundant constraints on mechanical performance. With the combination of theoretical derivation and simulation research, a mechanism analysis method is put forward about the position error of complex mechanism with redundant constraints. It points out the direction on how to eliminate or reduce the influence of redundant constraints.

  13. CEC mechanism in electrochemical oxidation of nitrocatechol-boric acid complexes

    International Nuclear Information System (INIS)

    Rafiee, Mohammad; Nematollahi, Davood; Salehzadeh, Hamid

    2011-01-01

    Graphical abstract: Display Omitted Highlights: → Nitrochetechol and its anionic form undergo complex reaction with boric acid. → The electron transfer of complex is coupled with both proceeding and following chemical reactions. → Electrochemical behavior of complex is resolved by diagnostic criteria and digital simulation. - Abstract: The electrochemical behavior of nitrocatechols-boric acid complexes in aqueous solution has been studied using cyclic voltammetry. The results indicate that nitrocatechol-boric acid complex derivatives are involved in the CEC mechanism. In this work, the impact of empirical parameters on the shape of the voltammograms is examined based on a CEC mechanism. In addition, homogeneous rate constants of both the preceding and the following reactions were estimated by comparing the experimental cyclic voltammograms with the digitally simulated results. The calculated dissociation constants for the complexes (K d ) and for ring cleavage of nitroquinone (k f2 ) were found to vary in the following order: 4-nitrocatechol > 3-methylnitrocatechol > 3-metoxynitrocatechol.

  14. Fluid Mechanics and Complex Variable Theory: Getting Past the 19th Century

    Science.gov (United States)

    Newton, Paul K.

    2017-01-01

    The subject of fluid mechanics is a rich, vibrant, and rapidly developing branch of applied mathematics. Historically, it has developed hand-in-hand with the elegant subject of complex variable theory. The Westmont College NSF-sponsored workshop on the revitalization of complex variable theory in the undergraduate curriculum focused partly on…

  15. An Experimental Investigation of Mechanical Properties in Clay Brick Masonry by Partial Replacement of Fine Aggregate with Clay Brick Waste

    Science.gov (United States)

    Kumavat, Hemraj Ramdas

    2016-09-01

    The compressive stress-strain behavior and mechanical properties of clay brick masonry and its constituents clay bricks and mortar, have been studied by several laboratory tests. Using linear regression analysis, a analytical model has been proposed for obtaining the stress-strain curves for masonry that can be used in the analysis and design procedures. The model requires only the compressive strengths of bricks and mortar as input data, which can be easily obtained experimentally. Development of analytical model from the obtained experimental results of Young's modulus and compressive strength. Simple relationships have been identified for obtaining the modulus of elasticity of bricks, mortar, and masonry from their corresponding compressive strengths. It was observed that the proposed analytical model clearly demonstrates a reasonably good prediction of the stress-strain curves when compared with the experimental curves.

  16. Mechanisms Underlying the Formation of Complexes between Maize Starch and Lipids.

    Science.gov (United States)

    Chao, Chen; Yu, Jinglin; Wang, Shuo; Copeland, Les; Wang, Shujun

    2018-01-10

    This study aimed to reveal the mechanism of formation of complexes between native maize starch (NMS) and different types of lipids, namely palmitic acid (PA), monopalmitate glycerol (MPG), dipalmitate glycerol (DPG), and tripalmitate glycerol (TPG). The complexing index followed the order of MPG (96.3%) > PA (41.8%) > TPG (8.3%) > DPG (1.1%), indicating that MPG formed more complexes with NMS than PA, and that few complexes were formed between NMS and DPG and TPG. The NMS-PA complex presented higher thermal transition temperatures and lower enthalpy change than the NMS-MPG complex, indicating that although MPG formed more starch complexes, they had less stable crystalline structures than the complex between NMS and PA. X-ray diffraction (XRD) and Raman spectroscopy showed that both MPG and PA formed V-type crystalline structures with NMS, and confirmed that no complexes were formed between NMS and DPG and TPG. We conclude that the monoglyceride formed more starch-lipid complex with maize starch than PA, but that the monoglyceride complex had a less stable structure than that formed with PA. The di- and triglycerides did not form complexes with maize starch.

  17. An Approach to Implementing A Threshold Adjusting Mechanism in Very Complex Negotiations : A Preliminary Result

    OpenAIRE

    Fujita, Katsuhide; Ito, Takayuki; Hattori, Hiromitsu; Klein, Mark

    2007-01-01

    In this paper, we propose a threshold adjusting mechanism in very complex negotiations among software agents. The proposed mechanism can facilitate agents to reach an agreement while keeping their private information as much as possible. Multi-issue negotiation protocols have been studied widely and represent a promising field since most negotiation problems in the real world involve interdependent multiple issues. We have proposed negotiation protocols where a bidding-based mechanism is used...

  18. Studies on recycled aggregates-based concrete.

    Science.gov (United States)

    Rakshvir, Major; Barai, Sudhirkumar V

    2006-06-01

    Reduced extraction of raw materials, reduced transportation cost, improved profits, reduced environmental impact and fast-depleting reserves of conventional natural aggregates has necessitated the use of recycling, in order to be able to conserve conventional natural aggregate. In this study various physical and mechanical properties of recycled concrete aggregates were examined. Recycled concrete aggregates are different from natural aggregates and concrete made from them has specific properties. The percentages of recycled concrete aggregates were varied and it was observed that properties such as compressive strength showed a decrease of up to 10% as the percentage of recycled concrete aggregates increased. Water absorption of recycled aggregates was found to be greater than natural aggregates, and this needs to be compensated during mix design.

  19. Studies on densification, mechanical, micro-structural and structure–properties relationship of magnesium aluminate spinel refractory aggregates prepared from Indian magnesite

    International Nuclear Information System (INIS)

    Ghosh, Chandrima; Ghosh, Arup; Haldar, Manas Kamal

    2015-01-01

    The present work intends to study the development of magnesium aluminate spinel aggregates from Indian magnesite in a single firing stage. The raw magnesite has been evaluated in terms of chemical analysis, differential thermal analysis, thermogravimetric analysis, infrared spectroscopy, and X-ray diffraction. The experimental batch containing Indian magnesite and calcined alumina has been sintered in the temperature range of 1550 °C–1700 °C. The sintered material has been characterized in terms of physico-chemical properties like bulk density, apparent porosity, true density, relative density and thermo-mechanical/mechanical properties like hot modulus of rupture, thermal shock resistance, cold modulus of rupture and structural properties by X-ray diffraction in terms of phase identification and evaluation of crystal structure parameters of corresponding phases by Rietveld analysis. The microstructures developed at different temperatures have been analyzed by field emission scanning electron microscope study and compositional analysis of the developed phase has been carried out by energy dispersive X-ray study. - Highlights: • The studies have been done to characterize the developed magnesium aluminate spinel. • The studies reveal correlation between refractory behavior of spinel and developed microstructures. • The studies show the values of lattice parameters of developed phases

  20. Influence of the micro- and nanoscale local mechanical properties of the interfacial transition zone on impact behavior of concrete made with different aggregates

    International Nuclear Information System (INIS)

    Erdem, Savaş; Dawson, Andrew Robert; Thom, Nicholas Howard

    2012-01-01

    The influence of the microscale local mechanical properties of the interfacial transition zone (ITZ) on macro-level mechanical response and impact behavior is studied for concretes made with copper slag and gravel aggregates. 3D nanotech vertical scanning interferometry, scanning electron microscopy coupled with energy dispersive X-ray micro-analysis, digital image analysis, and 3D X-ray computed tomography were used to characterize the microstructures and the ITZs. It was deduced that a stronger and denser ITZ in the copper slag specimen would reduce its vulnerability to stiffness loss and contribute to its elastic and more ductile response under impact loading. The analysis also indicated that a significant degeneration in the pore structure of the gravel specimen associated with a relatively weaker and non-homogeneous ITZ occurred under impact. Finally, it was also concluded that increased roughness of ITZ may contribute to the load-carrying capacity of concrete under impact by improving contact point interactions and energy dissipation.

  1. [Composition and stability of soil aggregates in hedgerow-crop slope land].

    Science.gov (United States)

    Pu, Yu-Lin; Lin, Chao-Wen; Xie, De-Ti; Wei, Chao-Fu; Ni, Jiu-Pai

    2013-01-01

    Based on a long-term experiment of using hedgerow to control soil and water loss, this paper studied the composition and stability of soil aggregates in a hedgerow-crop slope land. Compared with those under routine contour cropping, the contents of > 0.25 mm soil mechanical-stable and water-stable aggregates under the complex mode hedgerow-crop increased significantly by 13.3%-16.1% and 37.8% -55.6%, respectively. Under the complex mode, the contents of > 0.25 mm soil water-stable aggregates on each slope position increased obviously, and the status of > 0.25 mm soil water-stable aggregates being relatively rich at low slope and poor at top slope was improved. Planting hedgerow could significantly increase the mean mass diameter and geometric mean diameter of soil aggregates, decrease the fractal dimension of soil aggregates and the destruction rate of > 0.25 mm soil aggregates, and thus, increase the stability and erosion-resistance of soil aggregates in slope cropland. No significant effects of slope and hedgerow types were observed on the composition, stability and distribution of soil aggregates.

  2. The activation mechanism of Ru-indenylidene complexes in olefin metathesis

    KAUST Repository

    Urbina-Blanco, César A.

    2013-05-08

    Olefin metathesis is a powerful tool for the formation of carbon-carbon double bonds. Several families of well-defined ruthenium (Ru) catalysts have been developed during the past 20 years; however, the reaction mechanism for all such complexes was assumed to be the same. In the present study, the initiation mechanism of Ru-indenylidene complexes was examined and compared with that of benzylidene counterparts. It was discovered that not all indenylidene complexes followed the same mechanism, highlighting the importance of steric and electronic properties of so-called spectator ligands, and that there is no single mechanism for the Ru-based olefin metathesis reaction. The experimental findings are supported quantitatively by DFT calculations. © 2013 American Chemical Society.

  3. The activation mechanism of Ru-indenylidene complexes in olefin metathesis

    KAUST Repository

    Urbina-Blanco, Cé sar A.; Poater, Albert; Lé bl, Tomá š; Manzini, Simone; Slawin, Alexandra M. Z.; Cavallo, Luigi; Nolan, Steven P.

    2013-01-01

    Olefin metathesis is a powerful tool for the formation of carbon-carbon double bonds. Several families of well-defined ruthenium (Ru) catalysts have been developed during the past 20 years; however, the reaction mechanism for all such complexes was assumed to be the same. In the present study, the initiation mechanism of Ru-indenylidene complexes was examined and compared with that of benzylidene counterparts. It was discovered that not all indenylidene complexes followed the same mechanism, highlighting the importance of steric and electronic properties of so-called spectator ligands, and that there is no single mechanism for the Ru-based olefin metathesis reaction. The experimental findings are supported quantitatively by DFT calculations. © 2013 American Chemical Society.

  4. Recycled aggregates concrete: aggregate and mix properties

    Directory of Open Access Journals (Sweden)

    González-Fonteboa, B.

    2005-09-01

    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

  5. Elucidating the Aβ42 Anti-Aggregation Mechanism of Action of Tramiprosate in Alzheimer's Disease: Integrating Molecular Analytical Methods, Pharmacokinetic and Clinical Data.

    Science.gov (United States)

    Kocis, Petr; Tolar, Martin; Yu, Jeremy; Sinko, William; Ray, Soumya; Blennow, Kaj; Fillit, Howard; Hey, John A

    2017-06-01

    Amyloid beta (Aβ) oligomers play a critical role in the pathogenesis of Alzheimer's disease (AD) and represent a promising target for drug development. Tramiprosate is a small-molecule Aβ anti-aggregation agent that was evaluated in phase III clinical trials for AD but did not meet the primary efficacy endpoints; however, a pre-specified subgroup analysis revealed robust, sustained, and clinically meaningful cognitive and functional effects in patients with AD homozygous for the ε4 allele of apolipoprotein E4 (APOE4/4 homozygotes), who carry an increased risk for the disease. Therefore, to build on this important efficacy attribute and to further improve its pharmaceutical properties, we have developed a prodrug of tramiprosate ALZ-801 that is in advanced stages of clinical development. To elucidate how tramiprosate works, we investigated its molecular mechanism of action (MOA) and the translation to observed clinical outcomes. The two main objectives of this research were to (1) elucidate and characterize the MOA of tramiprosate via an integrated application of three independent molecular methodologies and (2) present an integrated translational analysis that links the MOA, conformation of the target, stoichiometry, and pharmacokinetic dose exposure to the observed clinical outcome in APOE4/4 homozygote subjects. We used three molecular analytical methods-ion mobility spectrometry-mass spectrometry (IMS-MS), nuclear magnetic resonance (NMR), and molecular dynamics-to characterize the concentration-related interactions of tramiprosate versus Aβ42 monomers and the resultant conformational alterations affecting aggregation into oligomers. The molecular stoichiometry of the tramiprosate versus Aβ42 interaction was further analyzed in the context of clinical pharmacokinetic dose exposure and central nervous system Aβ42 levels (i.e., pharmacokinetic-pharmacodynamic translation in humans). We observed a multi-ligand interaction of tramiprosate with monomeric Aβ42

  6. The influence of the coarse aggregates from different mineralogy on the mechanical properties of the high-performance concrete; A influencia de agregados graudos de diferentes mineralogias nas propriedades mecanicas do concreto de alto desempenho

    Energy Technology Data Exchange (ETDEWEB)

    Magalhaes, A.G.; Calixto, J.M. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia de Estruturas], e-mail: aldo@dees.ufmg.br; Franca, E.P. [Centro Federal de Educacao Tecnologica de Minas Gerais (CEFET-MG), Belo Horizonte, MG (Brazil). Dept. de Materiais de Construcao; Aguilar, M.T.P. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Materiais de Construcao; Vasconcelos, W.L. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Metalurgica e de Materiais

    2006-07-01

    Concrete in normal conditions is a versatile and strong construction material. However under certain environmental conditions it may deteriorate in a short period of time. This fact has led researchers in recent times to develop the high-performance concrete. In this scenario, the aim of this paper is to present the effects of the different types of coarse aggregate on the mechanical properties of high performance concrete. Limestone, granite, gneiss and basalt were used as coarse aggregates. Their characterization consisted of chemical analysis, x-ray diffraction and optical microscopy. The compressive strength and the modulus of elasticity were the investigated mechanical properties. The test results indicate expressively the better performance of the concretes fabricated with basalt, granite and gneiss aggregates. (author)

  7. Algebra of Complex Vectors and Applications in Electromagnetic Theory and Quantum Mechanics

    Directory of Open Access Journals (Sweden)

    Kundeti Muralidhar

    2015-08-01

    Full Text Available A complex vector is a sum of a vector and a bivector and forms a natural extension of a vector. The complex vectors have certain special geometric properties and considered as algebraic entities. These represent rotations along with specified orientation and direction in space. It has been shown that the association of complex vector with its conjugate generates complex vector space and the corresponding basis elements defined from the complex vector and its conjugate form a closed complex four dimensional linear space. The complexification process in complex vector space allows the generation of higher n-dimensional geometric algebra from (n — 1-dimensional algebra by considering the unit pseudoscalar identification with square root of minus one. The spacetime algebra can be generated from the geometric algebra by considering a vector equal to square root of plus one. The applications of complex vector algebra are discussed mainly in the electromagnetic theory and in the dynamics of an elementary particle with extended structure. Complex vector formalism simplifies the expressions and elucidates geometrical understanding of the basic concepts. The analysis shows that the existence of spin transforms a classical oscillator into a quantum oscillator. In conclusion the classical mechanics combined with zeropoint field leads to quantum mechanics.

  8. A Redox-Active, Compact Molecule for Cross-Linking Amyloidogenic Peptides into Nontoxic, Off-Pathway Aggregates: In Vitro and In Vivo Efficacy and Molecular Mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Derrick, Jeffrey S.; Kerr, Richard A.; Nam, Younwoo; Oh, Shin Bi; Lee, Hyuck Jin; Earnest, Kaylin G.; Suh, Nayoung; Peck, Kristy L.; Ozbil, Mehmet; Korshavn, Kyle J.; Ramamoorthy, Ayyalusamy; Prabhakar, Rajeev; Merino, Edward J.; Shearer, Jason; Lee, Joo-Yong; Ruotolo, Brandon T.; Lim, Mi Hee

    2015-11-25

    Chemical reagents targeting and controlling amyloidogenic peptides have received much attention for helping identify their roles in the pathogenesis of protein-misfolding disorders. Herein, we report a novel strategy for redirecting amyloidogenic peptides into nontoxic, off-pathway aggregates, which utilizes redox properties of a small molecule (DMPD, N,N-dimethyl-p-phenylenediamine) to trigger covalent adduct formation with the peptide. In addition, for the first time, biochemical, biophysical, and molecular dynamics simulation studies have been performed to demonstrate a mechanistic understanding for such an interaction between a small molecule (DMPD) and amyloid-β (Aβ) and its subsequent anti-amyloidogenic activity, which, upon its transformation, generates ligand–peptide adducts via primary amine-dependent intramolecular cross-linking correlated with structural compaction. Furthermore, in vivo efficacy of DMPD toward amyloid pathology and cognitive impairment was evaluated employing 5xFAD mice of Alzheimer’s disease (AD). Such a small molecule (DMPD) is indicated to noticeably reduce the overall cerebral amyloid load of soluble Aβ forms and amyloid deposits as well as significantly improve cognitive defects in the AD mouse model. Overall, our in vitro and in vivo studies of DMPD toward Aβ with the first molecular-level mechanistic investigations present the feasibility of developing new, innovative approaches that employ redox-active compounds without the structural complexity as next-generation chemical tools for amyloid management.

  9. Reality and dimension of space and the complexity of quantum mechanics

    International Nuclear Information System (INIS)

    Mirman, R.

    1988-01-01

    The dimension (and signature) of space is a result of distances being real numbers and quantum mechanical state functions being complex ones; it is an inescapable consequence of quantum mechanics and group theory. So nonrelativistic quantum mechanics cannot be complete (it requires ad hoc additional assumptions) and consistent (nor can classical physics), leading to relativity, quantum mechanics, and field theory. Implications of the constraints of consistency and physical reasonableness and of group theory for the structure of these theories are considered. It appears that there are simple, perhaps unavoidable reasons for the laws of physics, the nature of the world they describe, and the space in which they act

  10. Characterization of fine aggregates in concrete by different experimental approaches

    OpenAIRE

    He, Huan; Courard, Luc; Pirard, Eric; Michel, Frédéric

    2011-01-01

    Being its major component, aggregate can occupy up to three-quarter of the volume of concrete. The structure of aggregate formed in hardened state impacts largely on mechanical and durability properties of concrete. On another hand, physical characteristics of aggregate are primarily assumed to be relevant to granular behavior of aggregate. Therefore, characterization of aggregate is of high relevance to concrete studies. In this study, different types of fine aggregate used in concrete, name...

  11. Mechanisms of reactions of organoaluminium compounds with alkenes and alkynes catalyzed by Zr complexes

    International Nuclear Information System (INIS)

    Parfenova, L V; Khalilov, Leonard M; Dzhemilev, Usein M

    2012-01-01

    The results of studies dealing with mechanisms of hydro-, carbo- and cycloalumination of alkenes and alkynes catalyzed by zirconium complexes are generalized and systematized for the first time. Data about the structures of intermediates responsible for the formation of the target compounds are presented and the available data on the effect of the structure of organoaluminium compounds and the electronic and steric factors determining the catalytic activity of metal complexes in these reactions are considered in detail. Much attention is paid to studies of the influence of reaction conditions on the chemo-, regio- and stereoselectivity of the Zr-containing complex catalysts. The bibliography includes 217 references.

  12. Mechanical properties of the normal human cartilage-bone complex in relation to age

    DEFF Research Database (Denmark)

    Ding, Ming; Dalstra, M; Linde, F

    1998-01-01

    OBJECTIVE: This study investigates the age-related variations in the mechanical properties of the normal human tibial cartilage-bone complex and the relationships between cartilage and bone. DESIGN: A novel technique was applied to assess the mechanical properties of the cartilage and bone by mea...... that are of importance for the understanding of the etiology and pathogenesis of degenerative joint diseases, such as arthrosis....

  13. Kinetic and mechanism formation reaction of complex compound Cu with di-n-buthildithiocarbamate (dbdtc) ligand

    Science.gov (United States)

    Haryani, S.; Kurniawan, C.; Kasmui

    2018-04-01

    Synthesis of complex compound is one field of research which intensively studied. Metal-dithiocarbamate complexes find wide-ranging applications in nanomaterial and metal separation science, and have potential use as chemotherapeutic, pesticides, and as additives to lubricants. However, the information about is reaction kinetic and mechanism are very much lacking. The research and analyzes results show that reaction synthesis ligand DBDTC and complex compounds Cu-DBDTC. Optimum reaction condition of formation of complex compounds Cu with DBDTC at pH=3, [DBDTC] = 4.10-3 M, and the time of reaction 5 minutes. Based the analysis varian reaction of complex compounds at pH 3 and 4, diffrence significance at the other pH: 5; 5,5; 6; 6,5 ; 7; and 8. The various of mole with reactants comosition difference sigbificance, those the time reaction for 5 and 6 minutes diffrence by significance with the other time, it is 3,4,8, and 10 minutes. The great product to at condition pH 6, the time optimum at 5 minutes and molar ratio of logam: ligand = 1:2. The reaction kinetic equation of complex compound Cu with chelathing ligand DBDTC is V=0.917106 [Cu2+]0.87921 [DBDTC]2.03021. Based on the kinetic data, and formed complex compounds estimation, the mechanism explaining by 2 stages. In the first stage formation of [Cu(DBDTC)], and then [Cu(DBDTC)2] with the last structure geomethry planar rectangle. The result of this research will be more useful if an effort is being done in reaction mechanism by chemical computation method for obtain intermediate, and for constant “k” in same stage, k1.k2. and compound complex constanta (β).

  14. Deciphering deterioration mechanisms of complex diseases based on the construction of dynamic networks and systems analysis

    Science.gov (United States)

    Li, Yuanyuan; Jin, Suoqin; Lei, Lei; Pan, Zishu; Zou, Xiufen

    2015-03-01

    The early diagnosis and investigation of the pathogenic mechanisms of complex diseases are the most challenging problems in the fields of biology and medicine. Network-based systems biology is an important technique for the study of complex diseases. The present study constructed dynamic protein-protein interaction (PPI) networks to identify dynamical network biomarkers (DNBs) and analyze the underlying mechanisms of complex diseases from a systems level. We developed a model-based framework for the construction of a series of time-sequenced networks by integrating high-throughput gene expression data into PPI data. By combining the dynamic networks and molecular modules, we identified significant DNBs for four complex diseases, including influenza caused by either H3N2 or H1N1, acute lung injury and type 2 diabetes mellitus, which can serve as warning signals for disease deterioration. Function and pathway analyses revealed that the identified DNBs were significantly enriched during key events in early disease development. Correlation and information flow analyses revealed that DNBs effectively discriminated between different disease processes and that dysfunctional regulation and disproportional information flow may contribute to the increased disease severity. This study provides a general paradigm for revealing the deterioration mechanisms of complex diseases and offers new insights into their early diagnoses.

  15. From First Principles: The Application of Quantum Mechanics to Complex Molecules and Solvated Systems

    Energy Technology Data Exchange (ETDEWEB)

    Freitag, Mark A. [Iowa State Univ., Ames, IA (United States)

    2001-12-31

    The major title of this dissertation, 'From first principles,' is a phase often heard in the study of thermodynamics and quantum mechanics. These words embody a powerful idea in the physical sciences; namely, that it is possible to distill the complexities of nature into a set of simple, well defined mathematical laws from which specific relations can then be derived . In thermodynamics, these fundamental laws are immediately familiar to the physical scientist by their numerical order: the First, Second and Third Laws. However, the subject of the present volume is quantum mechanics-specifically, non-relativistic quantum mechanics, which is appropriate for most systems of chemical interest.

  16. Two different mechanisms of immune-complex trapping in the mouse spleen during immune responses

    NARCIS (Netherlands)

    Yoshida, K.; van den Berg, T. K.; Dijkstra, C. D.

    1993-01-01

    The capacity of immune-complex (IC) trapping was examined using purified horse radish peroxidase (HRP)-anti-HRP (PAP) on frozen sections of mouse spleen in vitro. We investigated the trapping mechanisms by applying the IC with or without fresh mouse serum added on the spleen sections of naive as

  17. Thermal, dielectric characteristics and conduction mechanism of azodyes derived from quinoline and their copper complexes.

    Science.gov (United States)

    El-Ghamaz, N A; Diab, M A; El-Bindary, A A; El-Sonbati, A Z; Nozha, S G

    2015-05-15

    A novel series of (5-(4'-derivatives phenyl azo)-8-hydroxy-7-quinolinecarboxaldehyde) (AQLn) (n=1, p-OCH3; n=2, R=H; and n=3; p-NO2) and their complexes [Cu(AQLn)2]·5H2O are synthesized and investigated. The optimized bond lengths, bond angles and the calculated quantum chemical parameters for AQLn are investigated. HOMO-LUMO energy gap, absolute electronegativities, chemical potentials, and absolute hardness are also calculated. The thermal properties, dielectric properties, alternating current conductivity (σac) and conduction mechanism are investigated in the frequency range 0.1-100kHz and temperature range 293-568K for AQL1-3 and 318-693K for [Cu(AQL1-3)2]·5H2O complexes. The thermal properties are of ligands (AQLn) and their Cu(II) complexes investigated by thermogravimetric analysis (TGA). The temperature and frequency dependence of the real and the imaginary part of the dielectric constant are studied. The values of the thermal activation energy of conduction mechanism for AQLn and their complexes [Cu(AQLn)2]·5H2O under investigation are calculated at different test frequencies. The values of thermal activation energies ΔE1 and ΔE2 for AQLn and [Cu(AQLn)2]·5H2O decrease with increasing the values of frequency. The ac conductivity is found to be depending on the chemical structure of the compounds. Different conduction mechanisms have been proposed to explain the obtained experimental data. The small polaron tunneling (SPT) is the dominant conduction mechanism for AQL1 and its complex [Cu(AQL1)2]·5H2O. The quantum mechanical tunneling (QMT) is the dominant conduction mechanism for AQL2 and its complex [Cu(AQL2)2]·5H2O. The correlated barrier hopping (CBH) is the dominant conduction mechanism for AQL3 and its complex [Cu(AQL3)2]·5H2O, and the values of the maximum barrier height (Wm) are calculated. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Complex Teichmüller Space below the Planck Length for the Interpretation of Quantum Mechanics

    Science.gov (United States)

    Winterberg, Friedwardt

    2014-03-01

    As Newton's mysterious action at a distance law of gravity was explained as a Riemannian geometry by Einstein, it is proposed that the likewise mysterious non-local quantum mechanics is explained by the analytic continuation below the Planck length into a complex Teichmüller space. Newton's theory worked extremely well, as does quantum mechanics, but no satisfactory explanation has been given for quantum mechanics. In one space dimension, sufficient to explain the EPR paradox, the Teichmüller space is reduced to a space of complex Riemann surfaces. Einstein's curved space-time theory of gravity was confirmed by a tiny departure from Newton's theory in the motion of the planet Mercury, and an experiment is proposed to demonstrate the possible existence of a Teichmüller space below the Planck length.

  19. A Complexity-Aware Video Adaptation Mechanism for Live Streaming Systems

    Directory of Open Access Journals (Sweden)

    Chen Homer H

    2007-01-01

    Full Text Available The paradigm shift of network design from performance-centric to constraint-centric has called for new signal processing techniques to deal with various aspects of resource-constrained communication and networking. In this paper, we consider the computational constraints of a multimedia communication system and propose a video adaptation mechanism for live video streaming of multiple channels. The video adaptation mechanism includes three salient features. First, it adjusts the computational resource of the streaming server block by block to provide a fine control of the encoding complexity. Second, as far as we know, it is the first mechanism to allocate the computational resource to multiple channels. Third, it utilizes a complexity-distortion model to determine the optimal coding parameter values to achieve global optimization. These techniques constitute the basic building blocks for a successful application of wireless and Internet video to digital home, surveillance, IPTV, and online games.

  20. A Complexity-Aware Video Adaptation Mechanism for Live Streaming Systems

    Science.gov (United States)

    Lu, Meng-Ting; Yao, Jason J.; Chen, Homer H.

    2007-12-01

    The paradigm shift of network design from performance-centric to constraint-centric has called for new signal processing techniques to deal with various aspects of resource-constrained communication and networking. In this paper, we consider the computational constraints of a multimedia communication system and propose a video adaptation mechanism for live video streaming of multiple channels. The video adaptation mechanism includes three salient features. First, it adjusts the computational resource of the streaming server block by block to provide a fine control of the encoding complexity. Second, as far as we know, it is the first mechanism to allocate the computational resource to multiple channels. Third, it utilizes a complexity-distortion model to determine the optimal coding parameter values to achieve global optimization. These techniques constitute the basic building blocks for a successful application of wireless and Internet video to digital home, surveillance, IPTV, and online games.

  1. Model-based flaw localization from perturbations in the dynamic response of complex mechanical structures

    Energy Technology Data Exchange (ETDEWEB)

    Chambers, D H

    2009-02-24

    A new method of locating structural damage using measured differences in vibrational response and a numerical model of the undamaged structure has been presented. This method is particularly suited for complex structures with little or no symmetry. In a prior study the method successively located simulated damage from measurements of the vibrational response on two simple structures. Here we demonstrate that it can locate simulated damage in a complex structure. A numerical model of a complex structure was used to calculate the structural response before and after the introduction of a void. The method can now be considered for application to structures of programmatic interest. It could be used to monitor the structural integrity of complex mechanical structures and assemblies over their lifetimes. This would allow early detection of damage, when repair is relatively easy and inexpensive. It would also allow one to schedule maintenance based on actual damage instead of a time schedule.

  2. Resolving the paradox for protein aggregation diseases: NMR structure and dynamics of the membrane-embedded P56S-MSP causing ALS imply a common mechanism for aggregation-prone proteins to attack membranes [v2; ref status: indexed, http://f1000r.es/3zl

    Directory of Open Access Journals (Sweden)

    Haina Qin

    2014-07-01

    Full Text Available Paradoxically, aggregation of specific proteins is characteristic of many human diseases and aging, yet aggregates have increasingly been found to be unnecessary for initiating pathogenesis. Here we determined the NMR topology and dynamics of a helical mutant in a membrane environment transformed from the 125-residue cytosolic all-β MSP domain of vesicle-associated membrane protein-associated protein B (VAPB by the ALS-causing P56S mutation. Despite its low hydrophobicity, the P56S major sperm protein (MSP domain becomes largely embedded in the membrane environment with high backbone rigidity. Furthermore it is composed of five helices with amphiphilicity comparable to those of the partly-soluble membrane toxin mellitin and α-synuclein causing Parkinson's disease. Consequently, the mechanism underlying this chameleon transformation becomes clear: by disrupting the specific tertiary interaction network stabilizing the native all-β MSP fold to release previously-locked amphiphilic segments, the P56S mutation acts to convert the classic MSP fold into a membrane-active protein that is fundamentally indistinguishable from mellitin and α-synuclein which are disordered in aqueous solution but spontaneously partition into membrane interfaces driven by hydrogen-bond energetics gained from forming α-helix in the membrane environments. As segments with high amphiphilicity exist in all proteins, our study successfully resolves the paradox by deciphering that the proteins with a higher tendency to aggregate have a stronger potential to partition into membranes through the same mechanism as α-synuclein to initially attack membranes to trigger pathogenesis without needing aggregates. This might represent the common first step for various kinds of aggregated proteins to trigger familiar, sporadic and aging diseases. Therefore the homeostasis of aggregated proteins in vivo is the central factor responsible for a variety of human diseases including aging

  3. Structural requirements for the assembly of LINC complexes and their function in cellular mechanical stiffness

    International Nuclear Information System (INIS)

    Stewart-Hutchinson, P.J.; Hale, Christopher M.; Wirtz, Denis; Hodzic, Didier

    2008-01-01

    The evolutionary-conserved interactions between KASH and SUN domain-containing proteins within the perinuclear space establish physical connections, called LINC complexes, between the nucleus and the cytoskeleton. Here, we show that the KASH domains of Nesprins 1, 2 and 3 interact promiscuously with luminal domains of Sun1 and Sun2. These constructs disrupt endogenous LINC complexes as indicated by the displacement of endogenous Nesprins from the nuclear envelope. We also provide evidence that KASH domains most probably fit a pocket provided by SUN domains and that post-translational modifications are dispensable for that interaction. We demonstrate that the disruption of endogenous LINC complexes affect cellular mechanical stiffness to an extent that compares to the loss of mechanical stiffness previously reported in embryonic fibroblasts derived from mouse lacking A-type lamins, a mouse model of muscular dystrophies and cardiomyopathies. These findings support a model whereby physical connections between the nucleus and the cytoskeleton are mediated by interactions between diverse combinations of Sun proteins and Nesprins through their respective evolutionary-conserved domains. Furthermore, they emphasize, for the first time, the relevance of LINC complexes in cellular mechanical stiffness suggesting a possible involvement of their disruption in various laminopathies, a group of human diseases linked to mutations of A-type lamins

  4. Balancing energy flexibilities through aggregation

    DEFF Research Database (Denmark)

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

    2014-01-01

    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...... aggregation aim at balancing flexibilities in production and consumption to reduce the probability of congestions and reduce the complexity of scheduling. We present results of our extensive experiments....

  5. Mechanisms of browning development in aggregates of marine organic matter formed under anoxic conditions: A study by mid-infrared and near-infrared spectroscopy

    Science.gov (United States)

    Mecozzi, Mauro; Acquistucci, Rita; Nisini, Laura; Conti, Marcelo Enrique

    2014-03-01

    In this paper we analyze some chemical aspects concerning the browning development associated to the aggregation of marine organic matter (MOM) occurring in anoxic conditions. Organic matter samples obtained by the degradation of different algal samples were daily taken to follow the evolution of the aggregation process and the associated browning process. These samples were examined by Fourier transform mid infrared (FTIR) and Fourier transform near infrared (FTNIR) spectroscopy and the colour changes occurring during the above mentioned aggregation process were measured by means of Colour Indices (CIs). Spectral Cross Correlation Analysis (SCCA) was applied to correlate changes in CI values to the structural changes of MOM observed by FTIR and FTNIR spectra which were also submitted to Two-Dimensional Hetero Correlation Analysis (2HDCORR). SCCA results showed that all biomolecules present in MOM aggregates such as carbohydrates, proteins and lipids are involved in the browning development. In particular, SCCA results of algal mixtures suggest that the observed yellow-brown colour can be linked to the development of non enzymatic (i.e. Maillard) browning reactions. SCCA results for MOM furthermore suggest that aggregates coming from brown algae also showed evidence of browning related to enzymatic reactions. In the end 2HDCORR results indicate that hydrogen bond interactions among different molecules of MOM can play a significant role in the browning development.

  6. RELATIONSHIPS BETWEEN SOIL MICROBIAL BIOMASS, AGGREGATE STABILITY AND AGGREGATE ASSOCIATED-C: A MECHANISTIC APPROACH

    Directory of Open Access Journals (Sweden)

    Patrizia Guidi

    2014-01-01

    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.

  7. AMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics

    Science.gov (United States)

    Labbé, Céline M.; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O.; Pajeva, Ilza

    2017-01-01

    Abstract AMMOS2 is an interactive web server for efficient computational refinement of protein–small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein–ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein–ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein–ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein–ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein–ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein–ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. PMID:28486703

  8. AMMOS2: a web server for protein-ligand-water complexes refinement via molecular mechanics.

    Science.gov (United States)

    Labbé, Céline M; Pencheva, Tania; Jereva, Dessislava; Desvillechabrol, Dimitri; Becot, Jérôme; Villoutreix, Bruno O; Pajeva, Ilza; Miteva, Maria A

    2017-07-03

    AMMOS2 is an interactive web server for efficient computational refinement of protein-small organic molecule complexes. The AMMOS2 protocol employs atomic-level energy minimization of a large number of experimental or modeled protein-ligand complexes. The web server is based on the previously developed standalone software AMMOS (Automatic Molecular Mechanics Optimization for in silico Screening). AMMOS utilizes the physics-based force field AMMP sp4 and performs optimization of protein-ligand interactions at five levels of flexibility of the protein receptor. The new version 2 of AMMOS implemented in the AMMOS2 web server allows the users to include explicit water molecules and individual metal ions in the protein-ligand complexes during minimization. The web server provides comprehensive analysis of computed energies and interactive visualization of refined protein-ligand complexes. The ligands are ranked by the minimized binding energies allowing the users to perform additional analysis for drug discovery or chemical biology projects. The web server has been extensively tested on 21 diverse protein-ligand complexes. AMMOS2 minimization shows consistent improvement over the initial complex structures in terms of minimized protein-ligand binding energies and water positions optimization. The AMMOS2 web server is freely available without any registration requirement at the URL: http://drugmod.rpbs.univ-paris-diderot.fr/ammosHome.php. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  9. Heating of Porous Icy Dust Aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Sirono, Sin-iti [Earth and Environmental Sciences, Nagoya University, Tikusa-ku, Furo-cho, Nagoya 464-8601 (Japan)

    2017-06-10

    At the beginning of planetary formation, highly porous dust aggregates are formed through coagulation of dust grains. Outside the snowline, the main component of an aggregate is H{sub 2}O ice. Because H{sub 2}O ice is formed in amorphous form, its thermal conductivity is extremely small. Therefore, the thermal conductivity of an icy dust aggregate is low. There is a possibility of heating inside an aggregate owing to the decay of radionuclides. It is shown that the temperature increases substantially inside an aggregate, leading to crystallization of amorphous ice. During the crystallization, the temperature further increases sufficiently to continue sintering. The mechanical properties of icy dust aggregates change, and the collisional evolution of dust aggregates is affected by the sintering.

  10. Biogenetic mechanisms predisposing to complex phenotypes in parents may function differently in their children

    DEFF Research Database (Denmark)

    Kulminski, Alexander M; Arbeev, Konstantin G; Christensen, Kaare

    2013-01-01

    rule. Our findings suggest that biogenetic mechanisms underlying relationships among different phenotypes, even if they are causally related, can function differently in successive generations or in different age groups of biologically related individuals. The results suggest that the role of aging-related......This study focuses on the participants of the Long Life Family Study to elucidate whether biogenetic mechanisms underlying relationships among heritable complex phenotypes in parents function in the same way for the same phenotypes in their children. Our results reveal 3 characteristic groups...

  11. Research on a scheduling mechanism in a complex system based on TOC

    International Nuclear Information System (INIS)

    Wen, Zhang; Ya-Ming, Zhang; Jinbo, Chen; Kaijun, Leng

    2016-01-01

    Under the condition where there is no seasonal demand fluctuation, short life cycle product supply chain should confront the market environment such as the decreasing of product value, the launch of substitutes and the appearance of competitors’ similar products, and the supply chain will become a very complex system. In this paper, the authors consider a TOC-based scheduling mechanism in this complex supply chain system. under the constant total production cost, it is more important to improve the availability of the wanted product in order to enhance the overall supply chain competitiveness so to obtain more effective output(profit rate) for the supply chain in a long period. Especially we try to apply the SDBR concept into a schedule mechanism in a particular supply chain system, and use numerical analysis to test the efficiency of the proposed method.

  12. Mechanism of S-oxygenation by a cysteine dioxygenase model complex

    OpenAIRE

    Kumar, Devesh; Sastry, G. Narahari; Goldberg, David P.; de Visser, Sam P.

    2011-01-01

    In this work we present the first computational study on a biomimetic cysteine dioxygenase model complex, [FeII(LN3S)]+ where LN3S is a tetradentate ligand with a bis(imino)pyridyl scaffold and a pendant arylthiolate group. The reaction mechanism of sulfur dioxygenation with O2 was examined by density functional theory (DFT) methods, and compared to results obtained for cysteine dioxygenase. The reaction proceeds via multistate reactivity patterns on competing singlet, triplet and quintet spi...

  13. Complex Reaction Kinetics in Chemistry: A Unified Picture Suggested by Mechanics in Physics

    Directory of Open Access Journals (Sweden)

    Elena Agliari

    2018-01-01

    Full Text Available Complex biochemical pathways can be reduced to chains of elementary reactions, which can be described in terms of chemical kinetics. Among the elementary reactions so far extensively investigated, we recall the Michaelis-Menten and the Hill positive-cooperative kinetics, which apply to molecular binding and are characterized by the absence and the presence, respectively, of cooperative interactions between binding sites. However, there is evidence of reactions displaying a more complex pattern: these follow the positive-cooperative scenario at small substrate concentration, yet negative-cooperative effects emerge as the substrate concentration is increased. Here, we analyze the formal analogy between the mathematical backbone of (classical reaction kinetics in Chemistry and that of (classical mechanics in Physics. We first show that standard cooperative kinetics can be framed in terms of classical mechanics, where the emerging phenomenology can be obtained by applying the principle of least action of classical mechanics. Further, since the saturation function plays in Chemistry the same role played by velocity in Physics, we show that a relativistic scaffold naturally accounts for the kinetics of the above-mentioned complex reactions. The proposed formalism yields to a unique, consistent picture for cooperative-like reactions and to a stronger mathematical control.

  14. Inhibition Mechanism of Uranyl Reduction Induced by Calcium-Carbonato Complexes

    Science.gov (United States)

    Jones, M. E.; Bargar, J.; Fendorf, S. E.

    2015-12-01

    Uranium mobility in the subsurface is controlled by the redox state and chemical speciation, generally as minimally soluble U(IV) or soluble U(VI) species. In the presence of even low carbonate concentrations the uranyl-carbonato complex quickly becomes the dominant aqueous species; they are, in fact, the primary aqueous species in most groundwaters. Calcium in groundwater leads to ternary calcium-uranyl-carbonato complexes that limit the rate and extent of U(VI) reduction. This decrease in reduction rate has been attributed to surface processes, thermodynamic limitations, and kinetic factors. Here we present a new mechanism for the inhibition of ferrous iron reduction of uranyl-carbonato species in the presence of calcium. A series of experiments under variable Ca conditions were preformed to determine the role of Ca in the inhibition of U reduction by ferrous iron. Calcium ions in the Ca2UO2(CO3)3 complex sterically prevent the interaction of Fe(II) with U(VI), in turn preventing the Fe(II)-U(VI) distance required for electron transfer. The mechanism described here helps to predict U redox transformations in suboxic environments and clarifies the role of Ca in the fate and mobility of U. Electrochemical measurements further show the decrease of the U(VI) to U(V) redox potential of the uranyl-carbonato complex with decreasing pH suggesting the first electron transfer is critical determining the rate and extent of uranium reduction.

  15. A blood-brain barrier (BBB) disrupter is also a potent α-synuclein (α-syn) aggregation inhibitor: a novel dual mechanism of mannitol for the treatment of Parkinson disease (PD).

    Science.gov (United States)

    Shaltiel-Karyo, Ronit; Frenkel-Pinter, Moran; Rockenstein, Edward; Patrick, Christina; Levy-Sakin, Michal; Schiller, Abigail; Egoz-Matia, Nirit; Masliah, Eliezer; Segal, Daniel; Gazit, Ehud

    2013-06-14

    The development of disease-modifying therapy for Parkinson disease has been a main drug development challenge, including the need to deliver the therapeutic agents to the brain. Here, we examined the ability of mannitol to interfere with the aggregation process of α-synuclein in vitro and in vivo in addition to its blood-brain barrier-disrupting properties. Using in vitro studies, we demonstrated the effect of mannitol on α-synuclein aggregation. Although low concentration of mannitol inhibited the formation of fibrils, high concentration significantly decreased the formation of tetramers and high molecular weight oligomers and shifted the secondary structure of α-synuclein from α-helical to a different structure, suggesting alternative potential pathways for aggregation. When administered to a Parkinson Drosophila model, mannitol dramatically corrected its behavioral defects and reduced the amount of α-synuclein aggregates in the brains of treated flies. In the mThy1-human α-synuclein transgenic mouse model, a decrease in α-synuclein accumulation was detected in several brain regions following treatment, suggesting that mannitol promotes α-synuclein clearance in the cell bodies. It appears that mannitol has a general neuroprotective effect in the transgenic treated mice, which includes the dopaminergic system. We therefore suggest mannitol as a basis for a dual mechanism therapeutic agent for the treatment of Parkinson disease.

  16. Self-assembly of caseinomacropeptide as a potential key mechanism in the formation of visible storage induced aggregates in acidic whey protein isolate dispersions

    DEFF Research Database (Denmark)

    Villumsen, Nanna Stengaard; Jensen, Hanne Bak; Thu Le, Thao Thi

    2015-01-01

    Visible aggregates formed during storage in acidic whey protein isolate (WPI) dispersions represent a challenge to the beverage industry. Batch-to-batch variations are observed that prevents consistent quality and shelf-life prediction. Heat-treatment of WPI dispersions at 120°C for 20s instead...

  17. Improvement of Bearing Capacity in Recycled Aggregates Suitable for Use as Unbound Road Sub-Base

    Directory of Open Access Journals (Sweden)

    Laura Garach

    2015-12-01

    Full Text Available Recycled concrete aggregates and mixed recycled aggregates are specified as types of aggregates with lower densities, higher water absorption capacities, and lower mechanical strength than natural aggregates. In this paper, the mechanical behaviour and microstructural properties of natural aggregates, recycled concrete aggregates and mixed recycled aggregates were compared. Different specimens of unbound recycled mixtures demonstrated increased resistance properties. The formation of new cement hydrated particles was observed, and pozzolanic reactions were discovered by electronon microscopy in these novel materials. The properties of recycled concrete aggregates and mixed recycled aggregates suggest that these recycled materials can be used in unbound road layers to improve their mechanical behaviour in the long term.

  18. Universal timescales in the rheology of spheroid cell aggregates

    Science.gov (United States)

    Yu, Miao; Mahtabfar, Aria; Beleen, Paul; Foty, Ramsey; Zahn, Jeffrey; Shreiber, David; Liu, Liping; Lin, Hao

    2017-11-01

    The rheological properties of tissue play important roles in key biological processes including embryogenesis, cancer metastasis, and wound healing. Spheroid cell aggregate is a particularly interesting model system for the study of these phenomena. In the long time, they behave like drops with a surface tension. In the short, viscoelasticity also needs to be considered. In this work, we discover two coupled and universal timescales for spheroid aggregates. A total of 12 aggregate types (total aggregate number n =290) derived from L and GBM (glioblastoma multiforme) cells are studied with microtensiometer to obtain their surface tension. They are also allowed to relax upon release of the compression forces. The two timescales are observed during the relaxation process; their values do not depend on compression time nor the degree of deformation, and are consistent among all 12 types. Following prior work (Yu et al., Phys. Rev. Lett., 115:128303; Liu et al., J. Mech. Phys. Solids, 98:309-329) we use a rigorous mathematical theory to interpret the results, which reveals intriguing properties of the aggregates on both tissue and cellular levels. The mechanics of multicellular organization reflects both complexity and regularity due to strong active regulation.

  19. Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

    Directory of Open Access Journals (Sweden)

    Jha Prashant

    2009-08-01

    Full Text Available Abstract Background Quantum mechanical calculations were performed on a variety of uranium species representing U(VI, U(V, U(IV, U-carbonates, U-phosphates, U-oxalates, U-catecholates, U-phosphodiesters, U-phosphorylated N-acetyl-glucosamine (NAG, and U-2-Keto-3-doxyoctanoate (KDO with explicit solvation by H2O molecules. These models represent major U species in natural waters and complexes on bacterial surfaces. The model results are compared to observed EXAFS, IR, Raman and NMR spectra. Results Agreement between experiment and theory is acceptable in most cases, and the reasons for discrepancies are discussed. Calculated Gibbs free energies are used to constrain which configurations are most likely to be stable under circumneutral pH conditions. Reduction of U(VI to U(IV is examined for the U-carbonate and U-catechol complexes. Conclusion Results on the potential energy differences between U(V- and U(IV-carbonate complexes suggest that the cause of slower disproportionation in this system is electrostatic repulsion between UO2 [CO3]35- ions that must approach one another to form U(VI and U(IV rather than a change in thermodynamic stability. Calculations on U-catechol species are consistent with the observation that UO22+ can oxidize catechol and form quinone-like species. In addition, outer-sphere complexation is predicted to be the most stable for U-catechol interactions based on calculated energies and comparison to 13C NMR spectra. Outer-sphere complexes (i.e., ion pairs bridged by water molecules are predicted to be comparable in Gibbs free energy to inner-sphere complexes for a model carboxylic acid. Complexation of uranyl to phosphorus-containing groups in extracellular polymeric substances is predicted to favor phosphonate groups, such as that found in phosphorylated NAG, rather than phosphodiesters, such as those in nucleic acids.

  20. 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)....

  1. The Role of Aggregates of Therapeutic Protein Products in Immunogenicity: An Evaluation by Mathematical Modeling

    Directory of Open Access Journals (Sweden)

    Liusong Yin

    2015-01-01

    Full Text Available Therapeutic protein products (TPP have been widely used to treat a variety of human diseases, including cancer, hemophilia, and autoimmune diseases. However, TPP can induce unwanted immune responses that can impact both drug efficacy and patient safety. The presence of aggregates is of particular concern as they have been implicated in inducing both T cell-independent and T cell-dependent immune responses. We used mathematical modeling to evaluate several mechanisms through which aggregates of TPP could contribute to the development of immunogenicity. Modeling interactions between aggregates and B cell receptors demonstrated that aggregates are unlikely to induce T cell-independent immune responses by cross-linking B cell receptors because the amount of signal transducing complex that can form under physiologically relevant conditions is limited. We systematically evaluate the role of aggregates in inducing T cell-dependent immune responses using a recently developed multiscale mechanistic mathematical model. Our analysis indicates that aggregates could contribute to T cell-dependent immune response by inducing high affinity epitopes which may not be present in the nonaggregated TPP and/or by enhancing danger signals to break tolerance. In summary, our computational analysis is suggestive of novel insights into the mechanisms underlying aggregate-induced immunogenicity, which could be used to develop mitigation strategies.

  2. Possible Function of Molecular Chaperones in Diseases Caused by Propagating Amyloid Aggregates

    Directory of Open Access Journals (Sweden)

    Vladimir F. Lazarev

    2017-05-01

    Full Text Available The vast majority of neurodegenerative pathologies stem from the formation of toxic oligomers and aggregates composed of wrongly folded proteins. These protein complexes can be released from pathogenic cells and enthralled by other cells, causing the formation of new aggregates in a prion-like manner. By this mechanism, migrating complexes can transmit a disorder to distant regions of the brain and promote gradually transmitting degenerative processes. Molecular chaperones can counteract the toxicity of misfolded proteins. In this review, we discuss recent data on the possible cytoprotective functions of chaperones in horizontally transmitting neurological disorders.

  3. PREFACE: Counting Complexity: An international workshop on statistical mechanics and combinatorics

    Science.gov (United States)

    de Gier, Jan; Warnaar, Ole

    2006-07-01

    On 10-15 July 2005 the conference `Counting Complexity: An international workshop on statistical mechanics and combinatorics' was held on Dunk Island, Queensland, Australia in celebration of Tony Guttmann's 60th birthday. Dunk Island provided the perfect setting for engaging in almost all of Tony's life-long passions: swimming, running, food, wine and, of course, plenty of mathematics and physics. The conference was attended by many of Tony's close scientific friends from all over the world, and most talks were presented by his past and present collaborators. This volume contains the proceedings of the meeting and consists of 24 refereed research papers in the fields of statistical mechanics, condensed matter physics and combinatorics. These papers provide an excellent illustration of the breadth and scope of Tony's work. The very first contribution, written by Stu Whittington, contains an overview of the many scientific achievements of Tony over the past 40 years in mathematics and physics. The organizing committee, consisting of Richard Brak, Aleks Owczarek, Jan de Gier, Emma Lockwood, Andrew Rechnitzer and Ole Warnaar, gratefully acknowledges the Australian Mathematical Society (AustMS), the Australian Mathematical Sciences Institute (AMSI), the ARC Centre of Excellence for Mathematics and Statistics of Complex Systems (MASCOS), the ARC Complex Open Systems Research Network (COSNet), the Institute of Physics (IOP) and the Department of Mathematics and Statistics of The University of Melbourne for financial support in organizing the conference. Tony, we hope that your future years in mathematics will be numerous. Count yourself lucky! Tony Guttman

  4. Interest of uranium complexes for the mechanism study of the McMurry reaction

    International Nuclear Information System (INIS)

    Maury, O.

    1997-01-01

    The reducing coupling reactions of ketones in diols and olefins are generally carried out with titanium or samarium compounds. In this work uranium complexes have been used. They have allowed to study the chemical reaction mechanism. This thesis is divided into three parts: 1) the reduction mechanism of uranium tetrachloride by cyclic voltametry has been studied at first. It has been shown that this reduction is followed by a transfer reaction of chlorides between the reduced specie of the higher electronic density and UCl . 2) In the second part is described: the synthesis, the crystal structure, the reactivity of the chemical agents, the stereochemistry of diols and alkenes formation and the pinacolisation reaction catalysis. 3) In the last part, the limits of the McMurry reaction are given by the study of the aromatic ketones pinacolisation reaction by-products. The obtained results show that the complexes of the metals which present a high reducing and oxo-philic (Ti, Sm, U..) character react in a similar way with the carbonyl compounds. If the uranium compounds are less used than those of the titanium in the field of the organic synthesis applications, they are precious auxiliaries and excellent models for reactions mechanisms study and for the synthesis methods optimization. (O.M.)

  5. Mechanics of metal-catecholate complexes: The roles of coordination state and metal types

    Science.gov (United States)

    Xu, Zhiping

    2013-01-01

    There have been growing evidences for the critical roles of metal-coordination complexes in defining structural and mechanical properties of unmineralized biological materials, including hardness, toughness, and abrasion resistance. Their dynamic (e.g. pH-responsive, self-healable, reversible) properties inspire promising applications of synthetic materials following this concept. However, mechanics of these coordination crosslinks, which lays the ground for predictive and rational material design, has not yet been well addressed. Here we present a first-principles study of representative coordination complexes between metals and catechols. The results show that these crosslinks offer stiffness and strength near a covalent bond, which strongly depend on the coordination state and type of metals. This dependence is discussed by analyzing the nature of bonding between metals and catechols. The responsive mechanics of metal-coordination is further mapped from the single-molecule level to a networked material. The results presented here provide fundamental understanding and principles for material selection in metal-coordination-based applications. PMID:24107799

  6. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  7. Fluorometric detection of nitroaromatics by fluorescent lead complexes: A spectroscopic assessment of detection mechanism

    Science.gov (United States)

    Chattopadhyay, Tanmay; Chatterjee, Sourav; Majumder, Ishani; Ghosh, Soumen; Yoon, Sangee; Sim, Eunji

    2018-04-01

    Three Schiff base ligands such as 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL1), 2-[(2-Hydroxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL2), 2-[(3,5-Dichloro-2-hydroxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL3) have been synthesized by condensation of aldehydes (such as 3,5-Dichloro-2-hydroxy benzaldehyde, 2-Hydroxy-benzaldehyde, and 2-Hydroxy-3-methoxy-benzaldehyde) with Tris-(hydroxymethyl)amino methane and characterized by IR, UV-vis and 1H NMR spectroscopy. Then all these three ligands have been used to prepare Pb(II) complexes by reaction with lead(II) acetate tri-hydrate in methanol. In view of analytical and spectral (IR, UV-vis and Mass) studies, it has been concluded that, except HL2, other two ligands form 1:1 metal complexes (1 and 3) with lead. Between two complexes, complex 3 is highly fluorescent and this property has been used to identify the pollutant nitroaromatics. Finally, the quenching mechanism has been established by means of spectroscopic investigation.

  8. Mechanism of wavelength conversion in polystyrene doped with benzoxanthene: emergence of a complex.

    Science.gov (United States)

    Nakamura, Hidehito; Shirakawa, Yoshiyuki; Kitamura, Hisashi; Sato, Nobuhiro; Shinji, Osamu; Saito, Katashi; Takahashi, Sentaro

    2013-01-01

    Fluorescent guest molecules doped in polymers have been used to convert ultraviolet light into visible light for applications ranging from optical fibres to filters for the cultivation of plants. The wavelength conversion process involves the absorption of light at short wavelengths followed by fluorescence emission at a longer wavelength. However, a precise understanding of the light conversion remains unclear. Here we show light responses for a purified polystyrene base substrates doped with fluorescent benzoxanthene in concentrations varied over four orders of magnitude. The shape of the excitation spectrum for fluorescence emission changes significantly with the concentration of the benzoxanthene, indicating formation of a base substrate/fluorescent molecule complex. Furthermore, the wavelength conversion light yield increases in three stages depending on the nature of the complex. These findings identify a mechanism that will have many applications in wavelength conversion materials.

  9. Identifying partial topology of complex dynamical networks via a pinning mechanism

    Science.gov (United States)

    Zhu, Shuaibing; Zhou, Jin; Lu, Jun-an

    2018-04-01

    In this paper, we study the problem of identifying the partial topology of complex dynamical networks via a pinning mechanism. By using the network synchronization theory and the adaptive feedback controlling method, we propose a method which can greatly reduce the number of nodes and observers in the response network. Particularly, this method can also identify the whole topology of complex networks. A theorem is established rigorously, from which some corollaries are also derived in order to make our method more cost-effective. Several numerical examples are provided to verify the effectiveness of the proposed method. In the simulation, an approach is also given to avoid possible identification failure caused by inner synchronization of the drive network.

  10. A molecular mechanics (MM3(96)) force field for metal-amide complexes

    International Nuclear Information System (INIS)

    Hay, B.P.; Clement, O.; Sandrone, G.; Dixon, D.A.

    1998-01-01

    A molecular mechanics (MM3(96)) force field is reported for modeling metal complexes of amides in which the amide is coordinated through oxygen. This model uses a points-on-a-sphere approach which involves the parameterization of the Msingle bondO stretch, the Msingle bondO double-bond C bend, and the Msingle bondO double-bond Csingle bondX (X = C, H, N) torsion interactions. Relationships between force field parameters and metal ion properties (charge, ionic radius, and electronegativity) are presented that allow the application of this model to a wide range of metal ions. The model satisfactorily reproduces the structures of over fifty amide complexes with the alkaline earths, transition metals, lanthanides, and actinides

  11. Path coupling and aggregate path coupling

    CERN Document Server

    Kovchegov, Yevgeniy

    2018-01-01

    This book describes and characterizes an extension to the classical path coupling method applied to statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, the aggregate path coupling method is used to prove rapid mixing of Glauber dynamics for a large class of statistical mechanical models, including models that exhibit discontinuous phase transitions which have traditionally been more difficult to analyze rigorously. The book shows how the parameter regions for rapid mixing for several classes of statistical mechanical models are derived using the aggregate path coupling method.

  12. Transferability of MCR-1/2 Polymyxin Resistance: Complex Dissemination and Genetic Mechanism.

    Science.gov (United States)

    Feng, Youjun

    2018-03-09

    Polymyxins, a group of cationic antimicrobial polypeptides, act as a last-resort defense against lethal infections by carbapenem-resistant Gram-negative pathogens. Recent emergence and fast spread of mobilized colistin resistance determinant mcr-1 argue the renewed interest of colistin in clinical therapies, threatening global public health and agriculture production. This mini-review aims to present an updated overview of mcr-1, covering its global dissemination, the diversity of its hosts/plasmid reservoirs, the complexity in the genetic environment adjacent to mcr-1, the appearance of new mcr-like genes, and the molecular mechanisms for mobilized colistin resistance determinant 1/2 (MCR-1/2).

  13. A complex network for studying the transmission mechanisms in stock market

    Science.gov (United States)

    Long, Wen; Guan, Lijing; Shen, Jiangjian; Song, Linqiu; Cui, Lingxiao

    2017-10-01

    This paper introduces a new complex network to describe the volatility transmission mechanisms in stock market. The network can not only endogenize stock market's volatility but also figure out the direction of volatility spillover. In this model, we first use BEKK-GARCH to estimate the volatility spillover effects among Chinese 18 industry sectors. Then, based on the ARCH coefficients and GARCH coefficients, the directional shock networks and variance networks in different stages are constructed separately. We find that the spillover effects and network structures changes in different stages. The results of the topological stability test demonstrate that the connectivity of networks becomes more fragile to selective attacks than stochastic attacks.

  14. Information Aggregation in Organizations

    OpenAIRE

    Schulte, Elisabeth

    2006-01-01

    This dissertation contributes to the analysis of information aggregation procedures within organizations. Facing uncertainty about the consequences of a collective decision, information has to be aggregated before making a choice. Two main questions are addressed. Firstly, how well is an organization suited for the aggregation of decision-relevant information? Secondly, how should an organization be designed in order to aggregate information efficiently? The main part deals with information a...

  15. Low Complexity Signed Response Based Sybil Attack Detection Mechanism in Wireless Sensor Networks

    Directory of Open Access Journals (Sweden)

    M. Saud Khan

    2016-01-01

    Full Text Available Security is always a major concern in wireless sensor networks (WSNs. Identity based attacks such as spoofing and sybil not only compromise the network but also slow down its performance. This paper proposes a low complexity sybil attack detection scheme, that is, based on signed response (SRES authentication mechanism developed for Global System for Mobile (GSM communications. A probabilistic model is presented which analyzes the proposed authentication mechanism for its probability of sybil attack. The paper also presents a simulation based comparative analysis of the existing sybil attack schemes with respect to the proposed scheme. It is observed that the proposed sybil detection scheme exhibits lesser computational cost and power consumption as compared to the existing schemes for the same sybil detection performance.

  16. Classical treatments of quantum mechanical effects in collisions of weakly bound complexes

    International Nuclear Information System (INIS)

    Lopez, Jose G.; McCoy, Anne B.

    2005-01-01

    Classical and quantum simulations of Ne + Ar 2 collision dynamics are performed in order to investigate where quantum mechanical effects are most important and where classical simulations provide good descriptions of the dynamics. It is found that when Ar 2 is in a low-lying vibrational state, the differences between the results of quantum and quasiclassical simulations are profound. However, excellent agreement between the results of the quantum and classical simulations can be achieved when the initial conditions for the classical trajectories are sampled from the quantum phase space distribution given by the Wigner function. These effects are largest when collisions occur under constrained geometries or when Ar 2 is in its ground vibrational state. The results of this work suggest that sampling the initial conditions using the Wigner function provides a straightforward way to incorporate the most important quantum mechanical effects in simulations of collisions involving very cold weakly bound complexes

  17. ADAPTATION OF N-HEPTANE AUTOIGNITION TABULATION FOR COMPLEX CHEMISTRY MECHANISMS

    Directory of Open Access Journals (Sweden)

    Neven Duić

    2011-01-01

    Full Text Available The adaptation of auto-ignition tabulation for effective use of complex chemical mechanisms will be presented in this paper. Taking cool flame ignition phenomenon into account could improve numerical simulations of combustion in compression ignition engines. Current approaches of successful simulation of this phenomenon are based on the extraction of ignition delay times, heat releases and also reaction rates from tabulated data dependant on four parameters: temperature, pressure, equivalence ratio and exhaust gasses mass fraction. The methods described here were used to create lookup tables including cool flame using a comprehensive chemical mechanism without including reaction rates data (as used by other authors. The method proved to be stable for creating tables and these results will be shown, as well as initial implementation results using the tables in computational fluid dynamics software.

  18. IgG Fab Fragments Forming Bivalent Complexes by a Conformational Mechanism That Is Reversible by Osmolytes*

    Science.gov (United States)

    Nelson, Alfreda D.; Hoffmann, Michele M.; Parks, Christopher A.; Dasari, Surendra; Schrum, Adam G.; Gil, Diana

    2012-01-01

    Generated by proteolytic cleavage of immunoglobulin, Fab fragments possess great promise as blocking reagents, able to bind receptors or other targets without inducing cross-linking. However, aggregation of Fab preparations is a common occurrence, which generates intrinsic stimulatory capacity and thwarts signal blockade strategies. Using a panel of biochemical approaches, including size exclusion chromatography, SDS-PAGE, mass spectrometry, and cell stimulation followed by flow cytometry, we have measured the oligomerization and acquisition of stimulatory capacity that occurs in four monoclonal IgG Fabs specific for TCR/CD3. Unexpectedly, we observed that all Fabs spontaneously formed complexes that were precisely bivalent, and these bivalent complexes possessed most of the stimulatory activity of each Fab preparation. Fabs composing bivalent complexes were more susceptible to proteolysis than monovalent Fabs, indicating a difference in conformation between the Fabs involved in these two different states of valency. Because osmolytes represent a class of compounds that stabilize protein folding and conformation, we sought to determine the extent to which the amino acid osmolyte l-proline might impact bivalent Fab complexation. We found that l-proline (i) inhibited the adoption of the conformation associated with bivalent complexation, (ii) preserved Fab monovalency, (iii) reversed the conformation of preformed bivalent Fabs to that of monovalent Fabs, and (iv) separated a significant percentage of preformed bivalent complexes into monovalent species. Thus, Fab fragments can adopt a conformation that is compatible with folding or packing of a bivalent complex in a process that can be inhibited by osmolytes. PMID:23109335

  19. Piperine Inhibits the Activities of Platelet Cytosolic Phospholipase A2 and Thromboxane A2 Synthase without Affecting Cyclooxygenase-1 Activity: Different Mechanisms of Action Are Involved in the Inhibition of Platelet Aggregation and Macrophage Inflammatory Response

    Directory of Open Access Journals (Sweden)

    Dong Ju Son

    2014-08-01

    Full Text Available PURPOSE: Piperine, a major alkaloid of black pepper (Piper nigrum and long pepper (Piper longum, was shown to have anti-inflammatory activity through the suppression of cyclooxygenase (COX-2 gene expression and enzyme activity. It is also reported to exhibit anti-platelet activity, but the mechanism underlying this action remains unknown. In this study, we investigated a putative anti-platelet aggregation mechanism involving arachidonic acid (AA metabolism and how this compares with the mechanism by which it inhibits macrophage inflammatory responses; METHODS: Rabbit platelets and murine macrophage RAW264.7 cells were treated with piperine, and the effect of piperine on the activity of AA-metabolizing enzymes, including cytosolic phospholipase A2 (cPLA2, COX-1, COX-2, and thromboxane A2 (TXA2 synthase, as well as its effect on AA liberation from the plasma membrane components, were assessed using isotopic labeling methods and enzyme immunoassay kit; RESULTS: Piperine significantly suppressed AA liberation by attenuating cPLA2 activity in collagen-stimulated platelets. It also significantly inhibited the activity of TXA2 synthase, but not of COX-1, in platelets. These results suggest that piperine inhibits platelet aggregation by attenuating cPLA2 and TXA2 synthase activities, rather than through the inhibition of COX-1 activity. On the other hand, piperine significantly inhibited lipopolysaccharide-induced generation of prostaglandin (PGE2 and PGD2 in RAW264.7 cells by suppressing the activity of COX-2, without effect on cPLA2; CONCLUSION: Our findings indicate that piperine inhibits platelet aggregation and macrophage inflammatory response by different mechanisms.

  20. Hydrogen-Bonded Polymer-Small Molecule Complexes with Tunable Mechanical Properties.

    Science.gov (United States)

    Liu, Tianqi; Peng, Xin; Chen, Ya-Nan; Bai, Qing-Wen; Shang, Cong; Zhang, Lin; Wang, Huiliang

    2018-03-13

    A novel type of polymeric material with tunable mechanical properties is fabricated from polymers and small molecules that can form hydrogen-bonded intermolecular complexes (IMCs). In this work, poly(vinyl alcohol) (PVA)-glycerol hydrogels are first prepared, and then they are dried to form IMCs. The tensile strengths and moduli of IMCs decrease dramatically with increasing glycerol content, while the elongations increase gradually. The mechanical properties are comparable with or even superior to those of common engineering plastics and rubbers. The IMCs with high glycerol content also show excellent flexibility and cold-resistance at subzero temperatures. Cyclic tensile and stress relaxation tests prove that there is an effective energy dissipation mechanism in IMCs and dynamic mechanical analysis confirms their physical crosslinking nature. FTIR and NMR characterizations prove the existence of hydrogen bonding between glycerol and PVA chains, which suppresses the crystallization of PVA from X-ray diffraction measurement. These PVA-glycerol IMCs may find potential applications in barrier films, biomedical packaging, etc., in the future. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Self-assembly behaviours of peptide-drug conjugates: influence of multiple factors on aggregate morphology and potential self-assembly mechanism

    Science.gov (United States)

    Fan, Qin; Ji, Yujie; Wang, Jingjing; Wu, Li; Li, Weidong; Chen, Rui; Chen, Zhipeng

    2018-04-01

    Peptide-drug conjugates (PDCs) as self-assembly prodrugs have the unique and specific features to build one-component nanomedicines. Supramolecular structure based on PDCs could form various morphologies ranging from nanotube, nanofibre, nanobelt to hydrogel. However, the assembly process of PDCs is too complex to predict or control. Herein, we investigated the effects of extrinsic factors on assembly morphology and the possible formation of nanostructures based on PDCs. To this end, we designed a PDC consisting of hydrophobic drug (S)-ketoprofen (Ket) and valine-glutamic acid dimeric repeats peptide (L-VEVE) to study their assembly behaviour. Our results showed that the critical assembly concentration of Ket-L-VEVE was 0.32 mM in water to form various nanostructures which experienced from micelle, nanorod, nanofibre to nanoribbon. The morphology was influenced by multiple factors including molecular design, assembly time, pH and hydrogen bond inhibitor. On the basis of experimental results, we speculated the possible assembly mechanism of Ket-L-VEVE. The π-π stacking interaction between Ket molecules could serve as an anchor, and hydrogen bonded-induced β-sheets and hydrophilic/hydrophobic balance between L-VEVE peptide play structure-directing role in forming filament-like or nanoribbon morphology. This work provides a new sight to rationally design and precisely control the nanostructure of PDCs based on aromatic fragment.

  2. Role of Multicellular Aggregates in Biofilm Formation

    Directory of Open Access Journals (Sweden)

    Kasper N. Kragh

    2016-03-01

    Full Text Available 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 markedly on the density of surrounding single cells, i.e., the level of competition for growth resources. When competition between aggregates and single cells is low, an aggregate has a growth disadvantage because the aggregate interior has poor access to growth resources. However, if competition is high, aggregates exhibit higher fitness, because extending vertically above the surface gives cells at the top of aggregates better access to growth resources. Other advantages of seeding by aggregates, such as earlier switching to a biofilm-like phenotype and enhanced resilience toward antibiotics and immune 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.

  3. Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes

    Science.gov (United States)

    Jastrzebski, Robin; Quesne, Matthew G; Weckhuysen, Bert M; de Visser, Sam P; Bruijnincx, Pieter C A

    2014-01-01

    Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron(III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron(III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron complex. The iron(III) superoxide complex that is formed subsequently attacks the carbon atom of the substrate by a rate-determining C=O bond formation step. PMID:25322920

  4. Influence of complexing agents on the mechanical performances of the cement conditioning matrix

    International Nuclear Information System (INIS)

    Nicu, M.; Mihai, F.; Turcanu, C.

    1998-01-01

    The safety of the radioactive waste disposal is a priority demand concerning the protection of the environment and population. For this reason, an engineering multi-barrier system is studied in order to be improved. This study aims to establish the influence of the complexing agents on the mechanical performances of the cement conditioning matrix. Radioactive effluents which contain agents as oxalic and citric acids are generated during the radioactive decontamination operation using chemical methods. The conditioning of these wastes by cementing process imposed the experimental determination of the mechanical performances of the matrix and the upper permissible level of complexing agent concentration. To determine the influence of complexing agents on the mechanical performances of cement conditioning matrix, cubic samples (20 mm x 20 mm x 20 mm) were prepared using commercial Portland cement and solutions of organic complexing acids or salts (citric acid, oxalic acid, tartaric acid, sodium citrate and ammonium oxalate). The complexation concentration varied between 0.25% and 1% in distilled and drinking water, respectively. The selected cement/water ratio was 0.5. The experiments were focused on: - establishing the firmness of the Pa 35 cement pastes and mortars in dependence on the water/cement ratio, by classical methods (Tetmeyer probe for pastes and standard cone for mortars) and by triclinic time through a funnel with 15 mm aperture; - studying the influence of the tartaric, oxalic, citric acids, ammonium oxalate and sodium citrate solution concentrations on water quantities used to obtain pastes with normal firmness and on Pa 35 cement setting; - the influence of oxalic acid, tartaric acid and ammonium oxalate solution concentrations on the strength of compression of the pastes with normal firmness; - for testing, standard test bar cubes with 20 mm sides were used and the strength of compression was tested at 28 days; - establishing the behaviour in time of

  5. Fracture mechanics and residual fatigue life analysis for complex stress fields. Technical report

    International Nuclear Information System (INIS)

    Besuner, P.M.

    1975-07-01

    This report reviews the development and application of an influence function method for calculating stress intensity factors and residual fatigue life for two- and three-dimensional structures with complex stress fields and geometries. Through elastic superposition, the method properly accounts for redistribution of stress as the crack grows through the structure. The analytical methods used and the computer programs necessary for computation and application of load independent influence functions are presented. A new exact solution is obtained for the buried elliptical crack, under an arbitrary Mode I stress field, for stress intensity factors at four positions around the crack front. The IF method is then applied to two fracture mechanics problems with complex stress fields and geometries. These problems are of current interest to the electric power generating industry and include (1) the fatigue analysis of a crack in a pipe weld under nominal and residual stresses and (2) fatigue analysis of a reactor pressure vessel nozzle corner crack under a complex bivariate stress field

  6. Amblypygids: Model Organisms for the Study of Arthropod Navigation Mechanisms in Complex Environments?

    Directory of Open Access Journals (Sweden)

    Daniel D Wiegmann

    2016-03-01

    Full Text Available Navigation is an ideal behavioral model for the study of sensory system integration and the neural substrates associated with complex behavior. For this broader purpose, however, it may be profitable to develop new model systems that are both tractable and sufficiently complex to ensure that information derived from a single sensory modality and path integration are inadequate to locate a goal. Here, we discuss some recent discoveries related to navigation by amblypygids, nocturnal arachnids that inhabit the tropics and sub-tropics. Nocturnal displacement experiments under the cover of a tropical rainforest reveal that these animals possess navigational abilities that are reminiscent, albeit on a smaller spatial scale, of true-navigating vertebrates. Specialized legs, called antenniform legs, which possess hundreds of olfactory and tactile sensory hairs, and vision appear to be involved. These animals also have enormous mushroom bodies, higher-order brain regions that, in insects, integrate contextual cues and may be involved in spatial memory. In amblypygids, the complexity of a nocturnal rainforest may impose navigational challenges that favor the integration of information derived from multimodal cues. Moreover, the movement of these animals is easily studied in the laboratory and putative neural integration sites of sensory information can be manipulated. Thus, amblypygids could serve as a model system for the discovery of neural substrates associated with a unique and potentially sophisticated navigational capability. The diversity of habitats in which amblypygids are found also offers an opportunity for comparative studies of sensory integration and ecological selection pressures on navigation mechanisms.

  7. Substrate-Na{sup +} complex formation: Coupling mechanism for {gamma}-aminobutyrate symporters

    Energy Technology Data Exchange (ETDEWEB)

    Pallo, Anna; Simon, Agnes [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary); Bencsura, Akos [Department of Theoretical Chemistry, Institute of Structural Chemistry, Chemical Research Center, Hungarian Academy of Sciences, Budapest (Hungary); Heja, Laszlo [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary); Kardos, Julianna, E-mail: jkardos@chemres.hu [Department of Neurochemistry, Institute of Biomolecular Chemistry, Chemical Research Center, Hungarian Academy of Sciences (Hungary)

    2009-07-24

    Crystal structures of transmembrane transport proteins belonging to the important families of neurotransmitter-sodium symporters reveal how they transport neurotransmitters across membranes. Substrate-induced structural conformations of gated neurotransmitter-sodium symporters have been in the focus of research, however, a key question concerning the mechanism of Na{sup +} ion coupling remained unanswered. Homology models of human glial transporter subtypes of the major inhibitory neurotransmitter {gamma}-aminobutyric acid were built. In accordance with selectivity data for subtype 2 vs. 3, docking and molecular dynamics calculations suggest similar orthosteric substrate (inhibitor) conformations and binding crevices but distinguishable allosteric Zn{sup 2+} ion binding motifs. Considering the occluded conformational states of glial human {gamma}-aminobutyric acid transporter subtypes, we found major semi-extended and minor ring-like conformations of zwitterionic {gamma}-aminobutyric acid in complex with Na{sup +} ion. The existence of the minor ring-like conformation of {gamma}-aminobutyric acid in complex with Na{sup +} ion may be attributed to the strengthening of the intramolecular H-bond by the electrostatic effect of Na{sup +} ion. Coupling substrate uptake into cells with the thermodynamically favorable Na{sup +} ion movement through substrate-Na{sup +} ion complex formation may be a mechanistic principle featuring transmembrane neurotransmitter-sodium symporter proteins.

  8. Mechanisms of charge-state determination in hydrogen-based impurity complexes in crystalline germanium

    International Nuclear Information System (INIS)

    Oliva, J.

    1984-01-01

    Recent experiments suggest that hydrogen may become bound to, and then tunnel around, substitutional carbon, silicon, or oxygen impurities in crystalline germanium. All these complexes are electrically active; [H,C] and [H,Si] are shallow acceptors, while [H,O] is a shallow donor. This paper attempts to elucidate the basic physical mechanisms controlling the charge state of such complexes as a function of the choice of the substitutional atom. A minimal-basis Bethe-cluster approach is used with the cluster comprising the ten-atom tetrahedral cage (including the substitutional atom) and enclosed H site, the latter coupled to all ten atoms of the cage. The important local correlation effect which tends to favor single occupation of the H site is modeled with a Hubbard-type term at that site. The charge state of the [H,C], [H,Si], and [H,O] complexes is associated with double occupation of the H site. Four aspects of the model are involved in favoring double occupation: (1) a low value of the H-site energy, (2) a reduced local correlation effect at the H site, (3) small hybridization between the H site and cage, and (4) a low value of the substitutional-site energy relative to that of the host. Results for the charge state for H at the cage center and for H near the substitutional atom are discussed in detail. Several useful formal results for local self-energies and local Green's functions are presented

  9. Modeling In-Network Aggregation in VANETs

    NARCIS (Netherlands)

    Dietzel, Stefan; Kargl, Frank; Heijenk, Geert; Schaub, Florian

    2011-01-01

    The multitude of applications envisioned for vehicular ad hoc networks requires efficient communication and dissemination mechanisms to prevent network congestion. In-network data aggregation promises to reduce bandwidth requirements and enable scalability in large vehicular networks. However, most

  10. Cellular strategies to cope with protein aggregation

    NARCIS (Netherlands)

    Scior, Annika; Juenemann, Katrin; Kirstein, Janine

    2016-01-01

    Nature has evolved several mechanisms to detoxify intracellular protein aggregates that arise upon proteotoxic challenges. These include the controlled deposition of misfolded proteins at distinct cellular sites, the protein disaggregation and refolding by molecular chaperones and/or degradation of

  11. Quantum mechanics of excitation transport in photosynthetic complexes: a key issues review.

    Science.gov (United States)

    Levi, Federico; Mostarda, Stefano; Rao, Francesco; Mintert, Florian

    2015-07-01

    For a long time microscopic physical descriptions of biological processes have been based on quantum mechanical concepts and tools, and routinely employed by chemical physicists and quantum chemists. However, the last ten years have witnessed new developments on these studies from a different perspective, rooted in the framework of quantum information theory. The process that more, than others, has been subject of intense research is the transfer of excitation energy in photosynthetic light-harvesting complexes, a consequence of the unexpected experimental discovery of oscillating signals in such highly noisy systems. The fundamental interdisciplinary nature of this research makes it extremely fascinating, but can also constitute an obstacle to its advance. Here in this review our objective is to provide an essential summary of the progress made in the theoretical description of excitation energy dynamics in photosynthetic systems from a quantum mechanical perspective, with the goal of unifying the language employed by the different communities. This is initially realized through a stepwise presentation of the fundamental building blocks used to model excitation transfer, including protein dynamics and the theory of open quantum system. Afterwards, we shall review how these models have evolved as a consequence of experimental discoveries; this will lead us to present the numerical techniques that have been introduced to quantitatively describe photo-absorbed energy dynamics. Finally, we shall discuss which mechanisms have been proposed to explain the unusual coherent nature of excitation transport and what insights have been gathered so far on the potential functional role of such quantum features.

  12. Two mechanisms for dissipation of excess light in monomeric and trimeric light-harvesting complexes

    Energy Technology Data Exchange (ETDEWEB)

    Dall' Osto, Luca [Univ. di Verona, Verona (Italy). Dipartimento di Biotecnologie; Cazzaniga, Stefano [Univ. di Verona, Verona (Italy). Dipartimento di Biotecnologie; Bressan, Mauro [Univ. di Verona, Verona (Italy). Dipartimento di Biotecnologie; Paleček, David [Lund Univ. (Sweden). Dept. of Chemical Physics; Židek, Karel [Lund Univ. (Sweden). Dept. of Chemical Physics; Niyogi, Krishna K. [Univ. of California, Berkeley, CA (United States). Howard Hughes Medical Inst., Dept. of Plant and Microbial Biology; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics and Integrated Bioimaging Division; Fleming, Graham R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Biophysics and Integrated Bioimaging Division; Univ. of California, Berkeley, CA (United States). Dept. of Chemistry, Graduate Group in Applied Science and Technology; Zigmantas, Donatas [Lund Univ. (Sweden). Dept. of Chemical Physics; Bassi, Roberto [Univ. di Verona, Verona (Italy). Dipartimento di Biotecnologie; Consiglio Nazionale delle Ricerche (CNR), Firenze (Italy). Istituto per la Protezione delle Piante (IPP)

    2017-04-10

    Oxygenic photoautotrophs require mechanisms for rapidly matching the level of chlorophyll excited states from light harvesting with the rate of electron transport from water to carbon dioxide. These photoprotective reactions prevent formation of reactive excited states and photoinhibition. The fastest response to excess illumination is the so-called non-photochemical quenching which, in higher plants, requires the luminal pH sensor PsbS and other yet unidentified components of the photosystem II antenna. Both trimeric light-harvesting complex II (LHCII) and monomeric LHC proteins have been indicated as site(s) of the heat-dissipative reactions. Different mechanisms have been proposed: Energy transfer to a lutein quencher in trimers, formation of a zeaxanthin radical cation in monomers. Here, we report on the construction of a mutant lacking all monomeric LHC proteins but retaining LHCII trimers. Its non-photochemical quenching induction rate was substantially slower with respect to the wild type. A carotenoid radical cation signal was detected in the wild type, although it was lost in the mutant. Here, we conclude that non-photochemical quenching is catalysed by two independent mechanisms, with the fastest activated response catalysed within monomeric LHC proteins depending on both zeaxanthin and lutein and on the formation of a radical cation. Trimeric LHCII was responsible for the slowly activated quenching component whereas inclusion in supercomplexes was not required. Finally, this latter activity does not depend on lutein nor on charge transfer events, whereas zeaxanthin was essential.

  13. Complexity of mechanisms among human proprotein convertase subtilisin-kexin type 9 variants.

    Science.gov (United States)

    Dron, Jacqueline S; Hegele, Robert A

    2017-04-01

    There are many reports of human variants in proprotein convertase subtilisin-kexin type 9 (PCSK9) that are either gain-of-function (GOF) or loss-of-function (LOF), with downstream effects on LDL cholesterol and cardiovascular disease (CVD) risk. However, data on particular mechanisms have only been minimally curated. GOF variants are individually ultrarare, affect all domains of the protein, act to reduce LDL receptor expression through several mechanisms, are a minor cause of familial hypercholesterolemia, have been reported mainly within families, have variable LDL cholesterol-raising effects, and are associated with increased CVD risk mainly through observational studies in families and small cohorts. In contrast, LOF variants can be either ultrarare mutations or relatively more common polymorphisms seen in populations, affect all domains of the protein, act to increase LDL receptor expression through several mechanisms, have variable LDL cholesterol-lowering effects, and have been associated with decreased CVD risk mainly through Mendelian randomization studies in epidemiologic populations. There is considerable complexity underlying the clinical concept of both LOF and GOF variants of PCSK9. But despite the underlying mechanistic heterogeneity, altered PCSK9 secretion or function is ultimately correlated with plasma LDL cholesterol level, which is also the driver of CVD outcomes.

  14. SHAPE CHARACTERIZATION OF CONCRETE AGGREGATE

    Directory of Open Access Journals (Sweden)

    Jing Hu

    2011-05-01

    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

  15. Prediction of thermal and mechanical stress-strain responses of TMC's subjected to complex TMF histories

    Science.gov (United States)

    Johnson, W. S.; Mirdamadi, M.

    1994-01-01

    This paper presents an experimental and analytical evaluation of cross-plied laminates of Ti-15V-3Cr-3Al-3Sn (Ti-15-3) matrix reinforced with continuous silicon-carbide fibers (SCS-6) subjected to a complex TMF loading profile. Thermomechanical fatigue test techniques were developed to conduct a simulation of a generic hypersonic flight profile. A micromechanical analysis was used. The analysis predicts the stress-strain response of the laminate and of the constituents in each ply during thermal and mechanical cycling by using only constituent properties as input. The fiber was modeled as elastic with transverse orthotropic and temperature-dependent properties. The matrix was modeled using a thermoviscoplastic constitutive relation. The fiber transverse modulus was reduced in the analysis to simulate the fiber-matrix interface failures. Excellent correlation was found between measured and predicted laminate stress-strain response due to generic hypersonic flight profile when fiber debonding was modeled.

  16. Lightweight concrete with Algerian limestone dust: Part I: Study on 30% replacement to normal aggregate at early age

    Directory of Open Access Journals (Sweden)

    S. Kitouni

    2013-12-01

    Full Text Available The mechanical characteristics of the lightweight aggregate concretes (LWAC strongly depend on the proportions of aggregates in the formulation. In particular, because of their strong porosity, the lightweight aggregates are much more deformable than the cementations matrix and their influence on concrete strength is complex. This paper focuses on studying the physical performance of concrete formulated with substitution of 30% of coarse aggregates by limestone dust. In this article an attempt is made to provide information on the elastic properties of lightweight concrete (LWC from tests carried out under uniaxial compression conditions. The results of Young modulus, Poisson's ratio, and compressive and flexural tensile strength tests on concrete are presented. The concretes obtained present good mechanical performances reaching 34.99 MPa compressive strength, 6.39 MPa flexural tensile strength and in front of 36 MPa Young modulus.

  17. Single-molecule exploration of photoprotective mechanisms in light-harvesting complexes

    Science.gov (United States)

    Yang, Hsiang-Yu; Schlau-Cohen, Gabriela S.; Gwizdala, Michal; Krüger, Tjaart; Xu, Pengqi; Croce, Roberta; van Grondelle, Rienk; Moerner, W. E.

    2015-03-01

    Plants harvest sunlight by converting light energy to electron flow through the primary events in photosynthesis. One important question is how the light harvesting machinery adapts to fluctuating sunlight intensity. As a result of various regulatory processes, efficient light harvesting and photoprotection are balanced. Some of the biological steps in the photoprotective processes have been extensively studied and physiological regulatory factors have been identified. For example, the effect of lumen pH in changing carotenoid composition has been explored. However, the importance of photophysical dynamics in the initial light-harvesting steps and its relation to photoprotection remain poorly understood. Conformational and excited-state dynamics of multi-chromophore pigment-protein complexes are often difficult to study and limited information can be extracted from ensemble-averaged measurements. To address the problem, we use the Anti-Brownian ELectrokinetic (ABEL) trap to investigate the fluorescence from individual copies of light-harvesting complex II (LHCII), the primary antenna protein in higher plants, in a solution-phase environment. Perturbative surface immobilization or encapsulation schemes are avoided, and therefore the intrinsic dynamics and heterogeneity in the fluorescence of individual proteins are revealed. We perform simultaneous measurements of fluorescence intensity (brightness), excited-state lifetime, and emission spectrum of single trapped proteins. By analyzing the correlated changes between these observables, we identify forms of LHCII with different fluorescence intensities and excited-state lifetimes. The distinct forms may be associated with different energy dissipation mechanisms in the energy transfer chain. Changes of relative populations in response to pH and carotenoid composition are observed, which may extend our understanding of the molecular mechanisms of photoprotection.

  18. Tools for Accurate and Efficient Analysis of Complex Evolutionary Mechanisms in Microbial Genomes. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Nakhleh, Luay

    2014-03-12

    I proposed to develop computationally efficient tools for accurate detection and reconstruction of microbes' complex evolutionary mechanisms, thus enabling rapid and accurate annotation, analysis and understanding of their genomes. To achieve this goal, I proposed to address three aspects. (1) Mathematical modeling. A major challenge facing the accurate detection of HGT is that of distinguishing between these two events on the one hand and other events that have similar "effects." I proposed to develop a novel mathematical approach for distinguishing among these events. Further, I proposed to develop a set of novel optimization criteria for the evolutionary analysis of microbial genomes in the presence of these complex evolutionary events. (2) Algorithm design. In this aspect of the project, I proposed to develop an array of e cient and accurate algorithms for analyzing microbial genomes based on the formulated optimization criteria. Further, I proposed to test the viability of the criteria and the accuracy of the algorithms in an experimental setting using both synthetic as well as biological data. (3) Software development. I proposed the nal outcome to be a suite of software tools which implements the mathematical models as well as the algorithms developed.

  19. Mechanism and kinetics of thermal decomposition of ammoniacal complex of copper oxalate

    International Nuclear Information System (INIS)

    Prasad, R.

    2003-01-01

    A complex precursor has been synthesized by dissolving copper oxalate in liquor ammonia followed by drying. The thermal decomposition of the precursor has been studied in different atmospheres, air/nitrogen. The mechanism of decomposition of the precursor in air is not as simple one as in nitrogen. In nitrogen, it involves endothermic deammoniation followed by decomposition to finely divided elemental particles of copper. Whereas in air, decomposition and simultaneous oxidation of the residual products (oxidative decomposition), make the process complex and relatively bigger particle of cupric oxide are obtained as final product. The products of decomposition in different atmospheres have been characterized by X-ray diffraction and particle size analysis. The stoichiometric formula, Cu(NH 3 ) 2 C 2 O 4 of the precursor is established from elemental analysis and TG measurements, and it is designated as copper amino oxalate (CAO). In nitrogen atmosphere, the deammoniation and decomposition have been found to be zero and first order, respectively. The values of activation energy have been found to be 102.52 and 95.38 kJ/mol for deammoniation and decomposition, respectively

  20. The Conceptual Mechanism for Viable Organizational Learning Based on Complex System Theory and the Viable System Model

    Science.gov (United States)

    Sung, Dia; You, Yeongmahn; Song, Ji Hoon

    2008-01-01

    The purpose of this research is to explore the possibility of viable learning organizations based on identifying viable organizational learning mechanisms. Two theoretical foundations, complex system theory and viable system theory, have been integrated to provide the rationale for building the sustainable organizational learning mechanism. The…

  1. Mechanical and physical simulation of complex 3-D bulk forming processes with Forge3

    International Nuclear Information System (INIS)

    Chenot, J-L.; Chastel, Y.

    2000-01-01

    To-day there is a growing need to predict numerically not only the mechanical parameters, but also the final microstructure of the work-piece. On the other hand, the use of simulation codes to analyze complex laboratory experiments can be viewed as a powerful way to improve the analysis of physical data. We outline basic methods for developing a finite element model of unsteady metal forming processes. At first the thermal and mechanical equations are recalled with several integral formulations. The most important issues are discussed, including time integration, evolving contact with rigid or deformable tools, meshing, remeshing, and parallel computing. Physical coupling is presented with the two possible approaches: introduction of internal parameters describing the evolution of microstructure and coupling with constitutive equations; multi-scale computation illustrated by the texture prediction. Finally it is shown that the inverse approach can be successfully applied to improve parameters identification from data acquisition of laboratory tests, or possibly from industrial experiments. This methodology can be utilized for: constitutive modeling, friction behavior, or even for internal parameters laws describing physical evolution. (author)

  2. Oxidation mechanism of diethyl ether: a complex process for a simple molecule.

    Science.gov (United States)

    Di Tommaso, Stefania; Rotureau, Patricia; Crescenzi, Orlando; Adamo, Carlo

    2011-08-28

    A large number of organic compounds, such as ethers, spontaneously form unstable peroxides through a self-propagating process of autoxidation (peroxidation). Although the hazards of organic peroxides are well known, the oxidation mechanisms of peroxidizable compounds like ethers reported in the literature are vague and often based on old experiments, carried out in very different conditions (e.g. atmospheric, combustion). With the aim to (partially) fill the lack of information, in this paper we present an extensive Density Functional Theory (DFT) study of autoxidation reaction of diethyl ether (DEE), a chemical that is largely used as solvent in laboratories, and which is considered to be responsible for various accidents. The aim of the work is to investigate the most probable reaction paths involved in the autoxidation process and to identify all potential hazardous intermediates, such as peroxides. Beyond the determination of a complex oxidation mechanism for such a simple molecule, our results suggest that the two main reaction channels open in solution are the direct decomposition (β-scission) of DEE radical issued of the initiation step and the isomerization of the peroxy radical formed upon oxygen attack (DEEOO˙). A simple kinetic evaluation of these two competing reaction channels hints that radical isomerization may play an unexpectedly important role in the global DEE oxidation process. Finally industrial hazards could be related to the hydroperoxide formation and accumulation during the chain propagation step. The resulting information may contribute to the understanding of the accidental risks associated with the use of diethyl ether.

  3. Analysis the complex interaction among flexible nanoparticles and materials surface in the mechanical polishing process

    Energy Technology Data Exchange (ETDEWEB)

    Han Xuesong, E-mail: hanxuesongphd@yahoo.com.cn [School of Mechanical Engineering, Tianjin University, 300072 (China); Gan, Yong X. [Department of Mechanical, Industrial and Manufacturing Engineering, University of Toledo, OH 43606 (United States)

    2011-02-01

    Mechanical polishing (MP), being the important technique of realizing the surface planarization, has already been widely applied in the area of microelectronic manufacturing and computer manufacturing technology. The surface planarization in the MP is mainly realized by mechanical process which depended on the microdynamic behavior of nanoparticle. The complex multibody interaction among nanoparticles and materials surface is different from interaction in the macroscopic multibody system which makes the traditional classical materials machining theory cannot accurately uncover the mystery of the surface generation in the MP. Large-scale classical molecular dynamic (MD) simulation of interaction among nanoparticles and solid surface has been carried out to investigate the physical essence of surface planarization. The particles with small impact angle can generate more uniform global planarization surface but the materials removal rate is lower. The shear interaction between particle and substrate may induce large friction torque and lead to the rotation of particle. The translation plus rotation makes the nanoparticle behaved like micro-milling tool. The results show that the nanoparticles may aggregrate together and form larger cluster thus deteriorate surface the quality. This MD simulation results illuminate that the f inal planarized surface can only be acquired by synergic behavior of all particles using various means such as cutting, impacting, scratching, indentation and so on.

  4. Programming spiders, bots, and aggregators in Java

    CERN Document Server

    Heaton, Jeff

    2006-01-01

    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

  5. Photoacoustic signal amplification through plasmonic nanoparticle aggregation

    OpenAIRE

    Bayer, Carolyn L.; Nam, Seung Yun; Chen, Yun-Sheng; Emelianov, Stanislav Y.

    2013-01-01

    Photoacoustic imaging, using targeted plasmonic metallic nanoparticles, is a promising noninvasive molecular imaging method. Analysis of the photoacoustic signal generated by plasmonic metallic nanoparticles is complex because of the dependence upon physical properties of both the nanoparticle and the surrounding environment. We studied the effect of the aggregation of gold nanoparticles on the photoacoustic signal amplitude. We found that the photoacoustic signal from aggregated silica-coate...

  6. Patterns of [PSI+] aggregation allow insights into cellular organization of yeast prion aggregates

    Science.gov (United States)

    Tyedmers, Jens

    2012-01-01

    The yeast prion phenomenon is very widespread and mounting evidence suggests that it has an impact on cellular regulatory mechanisms related to phenotypic responses to changing environments. Studying the aggregation patterns of prion amyloids during different stages of the prion life cycle is a first key step to understand major principles of how and where cells generate, organize and turn-over prion aggregates. The induction of the [PSI+] state involves the actin cytoskeleton and quality control compartments such as the Insoluble Protein Deposit (IPOD). An initially unstable transitional induction state can be visualized by overexpression of the prion determinant and displays characteristic large ring- and ribbon-shaped aggregates consisting of poorly fragmented bundles of very long prion fibrils. In the mature prion state, the aggregation pattern is characterized by highly fragmented, shorter prion fibrils that form aggregates, which can be visualized through tagging with fluorescent proteins. The number of aggregates formed varies, ranging from a single large aggregate at the IPOD to multiple smaller ones, depending on several parameters discussed. Aggregate units below the resolution of light microscopy that are detectable by fluorescence correlation spectroscopy are in equilibrium with larger aggregates in this stage and can mediate faithful inheritance of the prion state. Loss of the prion state is often characterized by reduced fragmentation of prion fibrils and fewer, larger aggregates. PMID:22449721

  7. Orthogonal flexible Rydberg aggregates

    Science.gov (United States)

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

    2016-02-01

    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.

  8. Platelet activation and aggregation

    DEFF Research Database (Denmark)

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

    2013-01-01

    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...

  9. A temporal comparison of sex-aggregation pheromone gland content and dynamics of release in three members of the Lutzomyia longipalpis (Diptera: Psychodidae species complex.

    Directory of Open Access Journals (Sweden)

    Mikel A González

    2017-12-01

    Full Text Available Lutzomyia longipalpis is the South American vector of Leishmania infantum, the etiologic agent of visceral leishmaniasis (VL. Male L. longipalpis produce a sex-aggregation pheromone that is critical in mating, yet very little is known about its accumulation over time or factors involved in release. This laboratory study aimed to compare accumulation of pheromone over time and determine factors that might influence release in three members of the L. longipalpis species complex.We investigated male sex-aggregation pheromone gland content at different ages and the release rate of pheromone in the presence or absence of females under different light conditions by gas chromatography-mass spectrometry (GC-MS. Pheromone gland content was determined by extraction of whole males and pheromone release rate was determined by collection of headspace volatiles. Pheromone gland content appeared age-related and pheromone began to accumulate between 6 to 12 h post eclosion and gradually increased until males were 7-9 days old. The greatest amount was detected in 9-day old Campo Grande males ((S-9-methylgermacrene-B; X ± SE: 203.5 ± 57.4 ng/male followed by Sobral 2S males (diterpene; 199.9 ± 34.3 and Jacobina males ((1S,3S,7R-3-methyl-α-himachalene; 128.8 ± 30.3 at 7 days old. Pheromone release was not continuous over time. During a 4-hour period, the greatest quantities of pheromone were released during the first hour, when wing beating activity was most intense. It was then substantially diminished for the remainder of the time. During a 24 h period, 4-5 day old male sand flies released approximately 63 ± 11% of the pheromone content of their glands, depending on the chemotype. The presence of females significantly increased pheromone release rate. The light regime under which the sand flies were held had little influence on pheromone release except on Sobral 2S chemotype.Accumulation of pheromone appears to occur at different rates in the different

  10. A temporal comparison of sex-aggregation pheromone gland content and dynamics of release in three members of the Lutzomyia longipalpis (Diptera: Psychodidae) species complex.

    Science.gov (United States)

    González, Mikel A; Bandi, Krishna K; Bell, Melissa J; Brazil, Reginaldo P; Dilger, Erin; Guerrero, Angel; Courtenay, Orin; Hamilton, James G C

    2017-12-01

    Lutzomyia longipalpis is the South American vector of Leishmania infantum, the etiologic agent of visceral leishmaniasis (VL). Male L. longipalpis produce a sex-aggregation pheromone that is critical in mating, yet very little is known about its accumulation over time or factors involved in release. This laboratory study aimed to compare accumulation of pheromone over time and determine factors that might influence release in three members of the L. longipalpis species complex. We investigated male sex-aggregation pheromone gland content at different ages and the release rate of pheromone in the presence or absence of females under different light conditions by gas chromatography-mass spectrometry (GC-MS). Pheromone gland content was determined by extraction of whole males and pheromone release rate was determined by collection of headspace volatiles. Pheromone gland content appeared age-related and pheromone began to accumulate between 6 to 12 h post eclosion and gradually increased until males were 7-9 days old. The greatest amount was detected in 9-day old Campo Grande males ((S)-9-methylgermacrene-B; X ± SE: 203.5 ± 57.4 ng/male) followed by Sobral 2S males (diterpene; 199.9 ± 34.3) and Jacobina males ((1S,3S,7R)-3-methyl-α-himachalene; 128.8 ± 30.3) at 7 days old. Pheromone release was not continuous over time. During a 4-hour period, the greatest quantities of pheromone were released during the first hour, when wing beating activity was most intense. It was then substantially diminished for the remainder of the time. During a 24 h period, 4-5 day old male sand flies released approximately 63 ± 11% of the pheromone content of their glands, depending on the chemotype. The presence of females significantly increased pheromone release rate. The light regime under which the sand flies were held had little influence on pheromone release except on Sobral 2S chemotype. Accumulation of pheromone appears to occur at different rates in the different chemotypes

  11. Aggregates from mineral wastes

    Directory of Open Access Journals (Sweden)

    Baic Ireneusz

    2016-01-01

    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.

  12. Identification of complex systems by artificial neural networks. Applications to mechanical frictions

    International Nuclear Information System (INIS)

    Dominguez, Manuel

    1998-01-01

    In the frame of complex systems modelization, we describe in this report the contribution of neural networks to mechanical friction modelization. This thesis is divided in three parts, each one corresponding to every stage of the realized work. The first part takes stock of the properties of neural networks by replacing them in the statistic frame of learning theory (particularly: non-linear and non-parametric regression models) and by showing the existing links with other more 'classic' techniques from automatics. We show then how identification models can be integrated in the neural networks description as a larger nonlinear model class. A methodology of neural networks use have been developed. We focused on validation techniques using correlation functions for non-linear systems, and on the use of regularization methods. The second part deals with the problematic of friction in mechanical systems. Particularly, we present the main current identified physical phenomena, which are integrated in advanced friction modelization. Characterization of these phenomena allows us to state a priori knowledge to be used in the identification stage. We expose some of the most well-known friction models: Dahl's model, Reset Integrator and Canuda's dynamical model, which are then used in simulation studies. The last part links the former one by illustrating a real-world application: an electric jack from SFIM-Industries, used in the Very Large Telescope (VLT) control scheme. This part begins with physical system presentation. The results are compared with more 'classic' methods. We finish using neural networks compensation scheme in closed-loop control. (author) [fr

  13. Formation mechanism of a silane-PVA/PVAc complex film on a glass fiber surface.

    Science.gov (United States)

    Repovsky, Daniel; Jane, Eduard; Palszegi, Tibor; Slobodnik, Marek; Velic, Dusan

    2013-10-21

    Mechanical properties of glass fiber reinforced composite materials are affected by fiber sizing. A complex film formation, based on a silane film and PVA/PVAc (polyvinyl alcohol/polyvinyl acetate) microspheres on a glass fiber surface is determined at 1) the nanoscale by using atomic force microscopy (AFM), and 2) the macroscale by using the zeta potential. Silane groups strongly bind through the Si-O-Si bond to the glass surface, which provides the attachment mechanism as a coupling agent. The silane groups form islands, a homogeneous film, as well as empty sites. The average roughness of the silanized surface is 6.5 nm, whereas it is only 0.6 nm for the non-silanized surface. The silane film vertically penetrates in a honeycomb fashion from the glass surface through the deposited PVA/PVAc microspheres to form a hexagonal close pack structure. The silane film not only penetrates, but also deforms the PVA/PVAc microspheres from the spherical shape in a dispersion to a ellipsoidal shape on the surface with average dimensions of 300/600 nm. The surface area value Sa represents an area of PVA/PVAc microspheres that are not affected by the silane penetration. The areas are found to be 0.2, 0.08, and 0.03 μm(2) if the ellipsoid sizes are 320/570, 300/610, and 270/620 nm for silane concentrations of 0, 3.8, and 7.2 μg mL(-1), respectively. The silane film also moves PVA/PVAc microspheres in the process of complex film formation, from the low silane concentration areas to the complex film area providing enough silane groups to stabilize the structure. The values for the residual silane honeycomb structure heights (Ha ) are 6.5, 7, and 12 nm for silane concentrations of 3.8, 7.2, and 14.3 μg mL(-1), respectively. The pH-dependent zeta-potential results suggest a specific role of the silane groups with effects on the glass fiber surface and also on the PVA/PVAc microspheres. The non-silanized glass fiber surface and the silane film have similar zeta potentials ranging

  14. Immunohistochemical and transcriptome analyses indicate complex breakdown of axonal transport mechanisms in canine distemper leukoencephalitis.

    Science.gov (United States)

    Spitzbarth, Ingo; Lempp, Charlotte; Kegler, Kristel; Ulrich, Reiner; Kalkuhl, Arno; Deschl, Ulrich; Baumgärtner, Wolfgang; Seehusen, Frauke

    2016-07-01

    CDV-DL (Canine distemper virus-induced demyelinating leukoencephalitis) represents a spontaneously occurring animal model for demyelinating disorders. Axonopathy represents a key pathomechanism in this disease; however, its underlying pathogenesis has not been addressed in detail so far. This study aimed at the characterization of axonal cytoskeletal, transport, and potential regenerative changes with a parallel focus upon Schwann cell remyelination. Immunohistochemistry of canine cerebellar tissue as well as a comparative analysis of genes from an independent microarray study were performed. Increased axonal immunoreactivity for nonphosphorylated neurofilament was followed by loss of cytoskeletal and motor proteins. Interestingly, a subset of genes encoding for neurofilament subunits and motor proteins was up-regulated in the chronic stage compared to dogs with subacute CDV-DL. However, immunohistochemically, hints for axonal regeneration were restricted to up-regulated axonal positivity of hypoxia-inducible factor 1 alpha, while growth-associated protein 43, erythropoietin and its receptor were not or even down-regulated. Periaxin-positive structures, indicative of Schwann cell remyelination, were only detected within few advanced lesions. The present findings demonstrate a complex sequence of axonal cytoskeletal breakdown mechanisms. Moreover, though sparse, this is the first report of Schwann cell remyelination in CDV-DL. Facilitation of these very limited endogenous regenerative responses represents an important topic for future research.

  15. Effects of major histocompatibility complex class II knockout on mouse bone mechanical properties during development

    Science.gov (United States)

    Simske, Steven J.; Bateman, Ted A.; Smith, Erin E.; Ferguson, Virginia L.; Chapes, Stephen K.

    2002-01-01

    We investigated the effect of major histocompatibility complex class II (MHC II) knockout on the development of the mouse peripheral skeleton. These C2D mice had less skeletal development at 8, 12 and 16 weeks of age compared to wild-type C57BL/6J (B6) male mice. The C2D mice had decreased femur mechanical, geometric and compositional measurements compared to wild type mice at each of these ages. C2D femur stiffness (S), peak force in 3-pt bending (Pm), and mineral mass (Min-M) were 74%, 64% and 66%, respectively, of corresponding B6 values at 8 weeks of age. Similar differences were measured at 12 weeks (for which C2D femoral S, Pm and Min-M were 71%, 72% and 73%, respectively, of corresponding B6 values) and at 16 weeks (for which C2D femoral S, Pm and Min-M were 80%, 66% and 61%, respectively, of corresponding B6 values). MHC II knockout delays the development of adult bone properties and is accompanied by lower body mass compared to wild-type controls.

  16. Iron complexes of tetramine ligands catalyse allylic hydroxyamination via a nitroso–ene mechanism

    Directory of Open Access Journals (Sweden)

    David Porter

    2015-12-01

    Full Text Available Iron(II complexes of the tetradentate amines tris(2-pyridylmethylamine (TPA and N,N′-bis(2-pyridylmethyl-N,N′-dimethylethane-1,2-diamine (BPMEN are established catalysts of C–O bond formation, oxidising hydrocarbon substrates via hydroxylation, epoxidation and dihydroxylation pathways. Herein we report the capacity of these catalysts to promote C–N bond formation, via allylic amination of alkenes. The combination of N-Boc-hydroxylamine with either FeTPA (1 mol % or FeBPMEN (10 mol % converts cyclohexene to the allylic hydroxylamine (tert-butyl cyclohex-2-en-1-yl(hydroxycarbamate in moderate yields. Spectroscopic studies and trapping experiments suggest the reaction proceeds via a nitroso–ene mechanism, with involvement of a free N-Boc-nitroso intermediate. Asymmetric induction is not observed using the chiral tetramine ligand (+-(2R,2′R-1,1′-bis(2-pyridylmethyl-2,2′-bipyrrolidine ((R,R′-PDP.

  17. Tribological coatings for complex mechanical elements produced by supersonic cluster beam deposition of metal dichalcogenide nanoparticles

    Science.gov (United States)

    Piazzoni, C.; Buttery, M.; Hampson, M. R.; Roberts, E. W.; Ducati, C.; Lenardi, C.; Cavaliere, F.; Piseri, P.; Milani, P.

    2015-07-01

    Fullerene-like MoS2 and WS2 nanoparticles can be used as building blocks for the fabrication of fluid and solid lubricants. Metal dichalcogenide films have a very low friction coefficient in vacuum, therefore they have mostly been used as solid lubricants in space and vacuum applications. Unfortunately, their use is significantly hampered by the fact that in the presence of humidity, oxygen and moisture, the low-friction properties of these materials rapidly degrade due to oxidation. The use of closed-cage MoS2 and WS2 nanoparticles may eliminate this problem, although the fabrication of lubricant thin films starting from dichalcogenide nanoparticles is, to date, a difficult task. Here we demonstrate the use of supersonic cluster beam deposition for the coating of complex mechanical elements (angular contact ball bearings) with nanostructured MoS2 and WS2 thin films. We report structural and tribological characterization of the coatings in view of the optimization of tribological performances for aerospace applications.

  18. Two mechanisms coordinate replication termination by the Escherichia coli Tus-Ter complex.

    Science.gov (United States)

    Pandey, Manjula; Elshenawy, Mohamed M; Jergic, Slobodan; Takahashi, Masateru; Dixon, Nicholas E; Hamdan, Samir M; Patel, Smita S

    2015-07-13

    The Escherichia coli replication terminator protein (Tus) binds to Ter sequences to block replication forks approaching from one direction. Here, we used single molecule and transient state kinetics to study responses of the heterologous phage T7 replisome to the Tus-Ter complex. The T7 replisome was arrested at the non-permissive end of Tus-Ter in a manner that is explained by a composite mousetrap and dynamic clamp model. An unpaired C(6) that forms a lock by binding into the cytosine binding pocket of Tus was most effective in arresting the replisome and mutation of C(6) removed the barrier. Isolated helicase was also blocked at the non-permissive end, but unexpectedly the isolated polymerase was not, unless C(6) was unpaired. Instead, the polymerase was blocked at the permissive end. This indicates that the Tus-Ter mechanism is sensitive to the translocation polarity of the DNA motor. The polymerase tracking along the template strand traps the C(6) to prevent lock formation; the helicase tracking along the other strand traps the complementary G(6) to aid lock formation. Our results are consistent with the model where strand separation by the helicase unpairs the GC(6) base pair and triggers lock formation immediately before the polymerase can sequester the C(6) base. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  19. Two mechanisms coordinate replication termination by the Escherichia coli Tus–Ter complex

    KAUST Repository

    Pandey, Manjula

    2015-07-13

    The Escherichia coli replication terminator protein (Tus) binds to Ter sequences to block replication forks approaching from one direction. Here, we used single molecule and transient state kinetics to study responses of the heterologous phage T7 replisome to the Tus–Ter complex. The T7 replisome was arrested at the non-permissive end of Tus–Ter in a manner that is explained by a composite mousetrap and dynamic clamp model. An unpaired C(6) that forms a lock by binding into the cytosine binding pocket of Tus was most effective in arresting the replisome and mutation of C(6) removed the barrier. Isolated helicase was also blocked at the non-permissive end, but unexpectedly the isolated polymerase was not, unless C(6) was unpaired. Instead, the polymerase was blocked at the permissive end. This indicates that the Tus–Ter mechanism is sensitive to the translocation polarity of the DNA motor. The polymerase tracking along the template strand traps the C(6) to prevent lock formation; the helicase tracking along the other strand traps the complementary G(6) to aid lock formation. Our results are consistent with the model where strand separation by the helicase unpairs the GC(6) base pair and triggers lock formation immediately before the polymerase can sequester the C(6) base.

  20. Catanionic aggregates stability and structure

    International Nuclear Information System (INIS)

    Vautrin, Claire

    2004-01-01

    The catanionic system cetyl-trimethyl-ammonium hydroxide - myristic acid - water studied here has the advantage to produce aggregates with controlled charge. So, the ternary phase diagram presents some interesting aggregates (micelle, vesicle, disc, lamellar phase). The study of the CMC put in evidence some strong interactions between monomers: the interaction parameter is equal to -10 kT. On a microscopic point of view, the alkyl chains packing is hexagonal and we proved by WAXS and WANS that the head groups are liquid ordered. Moreover, the hydrogen bonds participate to the bilayer cohesion. The mechanical properties of the catanionic membrane are similar to the properties of phospholipids. We estimated the Young modulus to 100 MPa by compressibility measurements (acoustic propagation and Langmuir trough). The thermodynamic properties studied by DSC showed that the chain melting transition depends on the sample composition. (author) [fr

  1. Aggregation and retention of human urokinase type plasminogen activator in the yeast endoplasmic reticulum

    Directory of Open Access Journals (Sweden)

    Smirnov Vladimir N

    2002-10-01

    Full Text Available Abstract Background Secretion of recombinant proteins in yeast can be affected by their improper folding in the endoplasmic reticulum and subsequent elimination of the misfolded molecules via the endoplasmic reticulum associated protein degradation pathway. Recombinant proteins can also be degraded by the vacuolar protease complex. Human urokinase type plasminogen activator (uPA is poorly secreted by yeast but the mechanisms interfering with its secretion are largely unknown. Results We show that in Hansenula polymorpha overexpression worsens uPA secretion and stimulates its intracellular aggregation. The absence of the Golgi modifications in accumulated uPA suggests that aggregation occurs within the endoplasmic reticulum. Deletion analysis has shown that the N-terminal domains were responsible for poor uPA secretion and propensity to aggregate. Mutation abolishing N-glycosylation decreased the efficiency of uPA secretion and increased its aggregation degree. Retention of uPA in the endoplasmic reticulum stimulates its aggregation. Conclusions The data obtained demonstrate that defect of uPA secretion in yeast is related to its retention in the endoplasmic reticulum. Accumulation of uPA within the endoplasmic reticulum disturbs its proper folding and leads to formation of high molecular weight aggregates.

  2. Curcumin inhibits aggregation of alpha-synuclein.

    Science.gov (United States)

    Pandey, Neeraj; Strider, Jeffrey; Nolan, William C; Yan, Sherry X; Galvin, James E

    2008-04-01

    Aggregation of amyloid-beta protein (Abeta) is a key pathogenic event in Alzheimer's disease (AD). Curcumin, a constituent of the Indian spice Turmeric is structurally similar to Congo Red and has been demonstrated to bind Abeta amyloid and prevent further oligomerization of Abeta monomers onto growing amyloid beta-sheets. Reasoning that oligomerization kinetics and mechanism of amyloid formation are similar in Parkinson's disease (PD) and AD, we investigated the effect of curcumin on alpha-synuclein (AS) protein aggregation. In vitro model of AS aggregation was developed by treatment of purified AS protein (wild-type) with 1 mM Fe3+ (Fenton reaction). It was observed that the addition of curcumin inhibited aggregation in a dose-dependent manner and increased AS solubility. The aggregation-inhibiting effect of curcumin was next investigated in cell culture utilizing catecholaminergic SH-SY5Y cell line. A model system was developed in which the red fluorescent protein (DsRed2) was fused with A53T mutant of AS and its aggregation examined under different concentrations of curcumin. To estimate aggregation in an unbiased manner, a protocol was developed in which the images were captured automatically through a high-throughput cell-based screening microscope. The obtained images were processed automatically for aggregates within a defined dimension of 1-6 microm. Greater than 32% decrease in mutant alpha-synuclein aggregation was observed within 48 h subsequent to curcumin addition. Our data suggest that curcumin inhibits AS oligomerization into higher molecular weight aggregates and therefore should be further explored as a potential therapeutic compound for PD and related disorders.

  3. Efficient clustering aggregation based on data fragments.

    Science.gov (United States)

    Wu, Ou; Hu, Weiming; Maybank, Stephen J; Zhu, Mingliang; Li, Bing

    2012-06-01

    Clustering aggregation, known as clustering ensembles, has emerged as a powerful technique for combining different clustering results to obtain a single better clustering. Existing clustering aggregation algorithms are applied directly to data points, in what is referred to as the point-based approach. The algorithms are inefficient if the number of data points is large. We define an efficient approach for clustering aggregation based on data fragments. In this fragment-based approach, a data fragment is any subset of the data that is not split by any of the clustering results. To establish the theoretical bases of the proposed approach, we prove that clustering aggregation can be performed directly on data fragments under two widely used goodness measures for clustering aggregation taken from the literature. Three new clustering aggregation algorithms are described. The experimental results obtained using several public data sets show that the new algorithms have lower computational complexity than three well-known existing point-based clustering aggregation algorithms (Agglomerative, Furthest, and LocalSearch); nevertheless, the new algorithms do not sacrifice the accuracy.

  4. Research on the Governance Mechanism of Aviation Complex Product Manufacturing Supply Chain Based on Dynamic Game Theory

    Directory of Open Access Journals (Sweden)

    Wang Nan

    2016-01-01

    Full Text Available In the manufacturing process of aeronautical complex products, for the following problems: develop long production cycle, a large number of ancillary products, a plurality of participating units, etc, and the status of the frequency of quality problems, using single-phase static game model in the case of asymmetric information, study on Supplier Quality insufficient investment, which resulting in opportunistic behaviour reasons. And using KMRW dynamic game model, we quantitative analysis the mechanism and crucial role of reputation mechanisms to ensure aeronautical complex product manufacturing supply chain and effective operation.

  5. Catecholase activity of dicopper(II)-bispidine complexes: stabilities and structures of intermediates, kinetics and reaction mechanism.

    Science.gov (United States)

    Born, Karin; Comba, Peter; Daubinet, André; Fuchs, Alexander; Wadepohl, Hubert

    2007-01-01

    A mechanism for the oxidation of 3,5-di-tert-butylcatechol (dtbc) with dioxygen to the corresponding quinone (dtbq), catalyzed by bispidine-dicopper complexes (bispidines are various mono- and dinucleating derivatives of 3,7-diazabicyclo[3.3.1]nonane with bis-tertiary-amine-bispyridyl or bis-tertiary-amine-trispyridyl donor sets), is proposed on the basis of (1) the stoichiometry of the reaction as well as the stabilities and structures [X-ray, density functional theory (B3LYP, TZV)] of the bispidine-dicopper(II)-3,4,5,6-tetrachlorcatechol intermediates, (2) formation kinetics and structures (molecular mechanics, MOMEC) of the end-on peroxo-dicopper(II) complexes and (3) kinetics of the stoichiometric (anaerobic) and catalytic (aerobic) copper-complex-assisted oxidation of dtbc. This involves (1) the oxidation of the dicopper(I) complexes with dioxygen to the corresponding end-on peroxo-dicopper(II) complexes, (2) coordination of dtbc as a bridging ligand upon liberation of H(2)O(2) and (3) intramolecular electron transfer to produce dtbq, which is liberated, and the dicopper(I) catalyst. Although the bispidine complexes have reactivities comparable to those of recently published catalysts with macrocyclic ligands, which seem to reproduce the enzyme-catalyzed process in various reaction sequences, a strikingly different oxidation mechanism is derived from the bispidine-dicopper-catalyzed reaction.

  6. PREFACE: DICE 2008 - From Quantum Mechanics through Complexity to Spacetime: the role of emergent dynamical structures

    Science.gov (United States)

    Diósi, Lajos; Elze, Hans-Thomas; Fronzoni, Leone; Halliwell, Jonathan; Vitiello, Giuseppe

    2009-07-01

    These proceedings present the Invited Lectures and Contributed Papers of the Fourth International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2008, held at Castello Pasquini, Castiglioncello (Tuscany), 22-26 September 2008. We deliver these proceedings as a means to document to the interested public, to the wider scientific community, and to the participants themselves the stimulating exchange of ideas at this conference. The steadily growing number of participants, among them acclaimed scientists in their respective fields, show its increasing attraction and a fruitful concept, based on bringing leading researchers together and in contact with a mix of advanced students and scholars. Thus, this series of meetings successfully continued from the beginning with DICE 2002, (Decoherence and Entropy in Complex Systems ed H-T Elze Lecture Notes in Physics 633 (Berlin: Springer, 2004)) followed by DICE 2004 (Proceedings of the Second International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2004 ed H-T Elze Braz. Journ. Phys. 35, 2A & 2B (2005) pp 205-529 free access at: www.sbfisica.org.br/bjp) and by DICE 2006, (Proceedings of the Third International Workshop on Decoherence, Information, Complexity and Entropy - DICE 2006 eds H-T Elze, L Diósi and G Vitiello Journal of Physics: Conference Series 67 (2007); free access at: http://www.iop.org/EJ/toc/1742-6596/67/1) uniting about one hundred participants from more than twenty different countries worldwide this time. It has been a great honour and inspiration for all of us to have Professor Sir Roger Penrose from the Mathematical Institute at the University of Oxford with us, who presented the lecture ``Black holes, quantum theory and cosmology'' (included in this volume). Discussions under the wider theme ``From Quantum Mechanics through Complexity to Spacetime: the role of emergent dynamical structures'' took place in the very pleasant and inspiring atmosphere of Castello

  7. Aggregated Computational Toxicology Online Resource

    Data.gov (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...

  8. Protein Colloidal Aggregation Project

    Science.gov (United States)

    Oliva-Buisson, Yvette J. (Compiler)

    2014-01-01

    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.

  9. Direct fitness correlates and thermal consequences of facultative aggregation in a desert lizard.

    Directory of Open Access Journals (Sweden)

    Alison R Davis Rabosky

    Full Text Available Social aggregation is a common behavioral phenomenon thought to evolve through adaptive benefits to group living. Comparing fitness differences between aggregated and solitary individuals in nature--necessary to infer an evolutionary benefit to living in groups--has proven difficult because communally-living species tend to be obligately social and behaviorally complex. However, these differences and the mechanisms driving them are critical to understanding how solitary individuals transition to group living, as well as how and why nascent social systems change over time. Here we demonstrate that facultative aggregation in a reptile (the Desert Night Lizard, Xantusia vigilis confers direct reproductive success and survival advantages and that thermal benefits of winter huddling disproportionately benefit small juveniles, which can favor delayed dispersal of offspring and the formation of kin groups. Using climate projection models, however, we estimate that future aggregation in night lizards could decline more than 50% due to warmer temperatures. Our results support the theory that transitions to group living arise from direct benefits to social individuals and offer a clear mechanism for the origin of kin groups through juvenile philopatry. The temperature dependence of aggregation in this and other taxa suggests that environmental variation may be a powerful but underappreciated force in the rapid transition between social and solitary behavior.

  10. Rich complex behaviour of self-assembled nanoparticles far from equilibrium.

    Science.gov (United States)

    Ilday, Serim; Makey, Ghaith; Akguc, Gursoy B; Yavuz, Özgün; Tokel, Onur; Pavlov, Ihor; Gülseren, Oguz; Ilday, F Ömer

    2017-04-26

    A profoundly fundamental question at the interface between physics and biology remains open: what are the minimum requirements for emergence of complex behaviour from nonliving systems? Here, we address this question and report complex behaviour of tens to thousands of colloidal nanoparticles in a system designed to be as plain as possible: the system is driven far from equilibrium by ultrafast laser pulses that create spatiotemporal temperature gradients, inducing Marangoni flow that drags particles towards aggregation; strong Brownian motion, used as source of fluctuations, opposes aggregation. Nonlinear feedback mechanisms naturally arise between flow, aggregate and Brownian motion, allowing fast external control with minimal intervention. Consequently, complex behaviour, analogous to those seen in living organisms, emerges, whereby aggregates can self-sustain, self-regulate, self-replicate, self-heal and can be transferred from one location to another, all within seconds. Aggregates can comprise only one pattern or bifurcated patterns can coexist, compete, endure or perish.

  11. Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

    Science.gov (United States)

    Marcus, R. A.

    1964-01-01

    In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced.

  12. Characterization of the population structure, drug resistance mechanisms and plasmids of the community-associated Enterobacter cloacae complex in China

    NARCIS (Netherlands)

    Zhou, Kai; Yu, Wei; Cao, Xiaoli; Shen, Ping; Lu, Haifeng; Luo, Qixia; Rossen, John W. A.; Xiao, Yonghong

    Objectives: To investigate the population structure, drug resistance mechanisms and plasmids of community-associated Enterobacter cloacae complex (CA-ECC) isolates in China. Methods: Sixty-two CA-ECC isolates collected from 31 hospitals across China were typed by hsp60 typing and MLST. ESBL and

  13. Analysis of mechanism of complex chemical reaction taking radiation chemical purification of gases from impurities as an example

    International Nuclear Information System (INIS)

    Gerasimov, G.Ya.; Makarov, V.N.

    1997-01-01

    Algorithm of selecting optimal mechanism of complex chemical reaction, enabling to reduce the number of its stages, is suggested. Main steps of constructing the kinetic model of the medium are considered, taking the radiation chemical purification (using fast electron radiation) of gases (N 2 , CO 2 , O 2 and others) from impurities as an example. 17 refs., 3 figs., 2 tabs

  14. Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes

    NARCIS (Netherlands)

    Jastrzebski, Robin; Quesne, Matthew G.; Weckhuysen, Bert M.; de Visser, Sam P.; Bruijnincx, Pieter C. A.

    2014-01-01

    Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and nonheme iron(III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational

  15. Complexity Science: A Mechanism for Strategic Foresight and Resiliency in National Security Decision-Making.

    Energy Technology Data Exchange (ETDEWEB)

    Ackermann, Mark R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hayden, Nancy Kay [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Backus, George A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-11-01

    Most national policy decisions are complex with a variety of stakeholders, disparate interests and the potential for unintended consequences. While a number of analytical tools exist to help decision makers sort through the mountains of data and myriad of options, decision support teams are increasingly turning to complexity science for improved analysis and better insight into the potential impact of policy decisions. While complexity science has great potential, it has only proven useful in limited case s and when properly applied. In advance of more widespread use, a national - level effort to refine complexity science and more rigorously establish its technical underpinnings is recommended.

  16. Fluorescent copper(II complexes: The electron transfer mechanism, interaction with bovine serum albumin (BSA and antibacterial activity

    Directory of Open Access Journals (Sweden)

    Madhumita Hazra

    2017-01-01

    Full Text Available Dinuclear copper(II complexes with formula [Cu2(L2(N32] (1 and [Cu2(L2(NCS2] (2 HL = (1-[(3-methyl-pyridine-2-ylimino-methyl]-naphthalen-2-ol were synthesized by controlling the molar ratio of Cu(OAC2·6H2O, HL, sodium azide (1 and ammonium thiocyanate (2. The end on bridges appear exclusively in azide and thiocyanate to copper complexes. The electron transfer mechanism of copper(II complexes is examined by cyclic voltammetry indicating copper(II complexes are Cu(II/Cu(I couple. The interactions of copper(II complexes towards bovine serum albumin (BSA were examined with the help of absorption and fluorescence spectroscopic tools. We report a superficial solution-based route for the synthesis of micro crystals of copper complexes with BSA. The antibacterial activity of the Schiff base and its copper complexes were investigated by the agar disc diffusion method against some species of pathogenic bacteria (Escherichia coli, Vibrio cholerae, Streptococcus pneumonia and Bacillus cereus. It has been observed that the antibacterial activity of all complexes is higher than the ligand.

  17. Wind energy aggregation: A coalitional game approach

    KAUST Repository

    Baeyens, E.

    2011-12-01

    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.

  18. Logic-based aggregation methods for ranking student applicants

    Directory of Open Access Journals (Sweden)

    Milošević Pavle

    2017-01-01

    Full Text Available In this paper, we present logic-based aggregation models used for ranking student applicants and we compare them with a number of existing aggregation methods, each more complex than the previous one. The proposed models aim to include depen- dencies in the data using Logical aggregation (LA. LA is a aggregation method based on interpolative Boolean algebra (IBA, a consistent multi-valued realization of Boolean algebra. This technique is used for a Boolean consistent aggregation of attributes that are logically dependent. The comparison is performed in the case of student applicants for master programs at the University of Belgrade. We have shown that LA has some advantages over other presented aggregation methods. The software realization of all applied aggregation methods is also provided. This paper may be of interest not only for student ranking, but also for similar problems of ranking people e.g. employees, team members, etc.

  19. Engineering Performance of Polyurethane Bonded Aggregates

    Directory of Open Access Journals (Sweden)

    Haimin WU

    2017-08-01

    Full Text Available In this paper the engineering performance of polyurethane (PUR bonded aggregate were studied. The engineering performance, including compressive and flexural mechanical properties, void ratio, and coefficient of permeability were determined through laboratory tests. Moreover, the effects of two different curing conditions on the compressive strength properties of a PUR bonded aggregate were also evaluated. The compressive strengths of PUR bonded aggregates were found to be lower than that of conventional porous concrete, which is a commonly used cushion material. However, experimental results indicated a higher void ratio and coefficient of permeability, lower elasticity modulus, better toughness, and stronger adaptability to flexural deformation compared to porous concrete. Consequently, PUR bonded aggregate is a better solution than porous concrete when used as the cushion material of a geomembrane surface barrier for a high rock-fill dam.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.15798

  20. WHAMM Directs the Arp2/3 Complex to the ER for Autophagosome Biogenesis through an Actin Comet Tail Mechanism.

    Science.gov (United States)

    Kast, David J; Zajac, Allison L; Holzbaur, Erika L F; Ostap, E Michael; Dominguez, Roberto

    2015-06-29

    Nucleation-promoting factors (NPFs) control the spatio-temporal activity of Arp2/3 complex in cells]. Thus, WASP and the WAVE complex direct the formation of branched actin networks at the leading edge during cell motility and endo/exocytosis, whereas the WASH complex is involved in endosomal transport. Less understood are WHAMM and JMY, two NPFs with similar domain architecture. JMY is found in the nucleus and the cytosol and is involved in transcriptional regulation, cell motility, and trans-Golgi transport. WHAMM was reported to bind microtubules and to be involved in ER to cis-Golgi transport. Here, we show that WHAMM directs the activity of Arp2/3 complex for autophagosome biogenesis through an actin-comet tail motility mechanism. Macroautophagy--the process by which cytosolic material is engulfed into autophagosomes for degradation and/or recycling--was recently shown to involve actin, but the mechanism is unknown. We found that WHAMM forms puncta that colocalize and comigrate with the autophagy markers LC3, DFCP1, and p62 through a WHAMM-dependent actin-comet tail mechanism. Under starvation, WHAMM and actin are observed at the interface between neighboring autophagosomes, whose number and size increase with WHAMM expression. Interfering with actin polymerization, inhibiting Arp2/3 complex, knocking down WHAMM, or blocking its interaction with Arp2/3 complex through mutagenesis all inhibit comet tail formation and reduce the size and number of autophagosomes. Finally, JMY shows similar localization to WHAMM and could be involved in similar processes. These results reveal a link between Arp2/3-complex-dependent actin assembly and autophagy. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Determination of Weight Suspension Rigidity in the Transport-Erector Aggregates

    Directory of Open Access Journals (Sweden)

    V. A. Zverev

    2016-01-01

    Full Text Available The aim is to determine weight suspension rigidity in aggregates designed to perform technological transport-erector operations at the miscellaneous launch complexes.We consider the weight suspension comprising the following distinctive structural components: the executive weight-lowering mechanism, polyspast mechanism, rope, traverse, and rods. A created structural dynamic model of suspension allowed us to define weight suspension rigidity. Within the framework of design analysis of a dynamic model we determined the rigidity of its structural units, i.e. traverse, rope, and polyspast.Known analytical relationships were used to calculate the rope rigidity. To determine rigidity of polyspast and traverse have been created special models based on the finite element method. For each model deformation in the specific points under the test load have been defined. Data obtained were used to determine trigidity of traverses and polyspast, and also rigidity of suspension in total. The rigidity models of polispast mechanism and traverse have been developed and calculated using the software complex "Zenit-95".As the research results, the paper presents a dynamic model of the weight suspension of the transport-erector aggregate, the finite element models of the polispast mechanism and traverse, an algorithm for determining the weight suspension rigidity and relevant analytical relationships.Independent calculation of weight suspension rigidity enables us to simplify further dynamic calculation of the aggregate-weight system because it allows attaining a simpler model of the aggregate-weight system that uses the weight suspension model as an element of equivalent rigidity. Despite this simplification the model allows us to determine correctly weight movement parameters and overloads in the aggregate-weight system in the process of technical operations.

  2. Mechanics of mass, energy and momentum transfer in complex textured materials at micro/nanoscales

    Science.gov (United States)

    Raman, Srikar

    The aim of this work is the investigation of the physical properties associated with nanostructured materials for various advanced applications which include controlled drug release, pressure driven nanofluidics, spray cooling etc. Polymer nanofibers (monolithic or core-shell) and turbostatic carbon nanotube bundles fabricated through electrospinning and co-electrospinning respectively were used as the key materials in this work. For controlled release applications, a model fluorescent dye Rhodamine 610 chloride, proteins, drugs or antigens encapsulated inside electrospun polymer nanofibers and its release to a buffer medium was analyzed. As a result of these experiments, it was discovered that the release process is limited by desorption process from nanopore surfaces. The experimental results were used as foundation as novel theory of release process and also allowed characterization of the relevant physical parameters of different compounds involved. In addition, thermal characterization of these electrospun polymer nanofibers was carried out to investigate their creep properties. The aim of this part was in the establishment of a detailed mechanism responsible for shrinkage of nanofiber mats at elevated temperatures and elucidation of its relation to the microscopic thermally-induced changes occurring in the polymer structure. In particular, thermal behavior of Poly(epsilon-caprolactone) (PCL), Poly(methylmethacrylate) (PMMA), Polyacrylonitrile (PAN) and Polyurethane (PU) in electrospun nanofibers and original pellets were studied using Differential Scanning Calorimetry (DSC) and linked to the onset of thermally-induced shrinkage of nanofiber mats. The elctrospinning setup was then extended to Co-electrospinning process for fabricating Turbostratic Carbon Nanotube Bundles, for pressure driven flow of suspensions. Using a model water soluble compound, fluorescent dye Rhodamine 610 chloride, it was shown that deposit buildup on the inner walls of the delivery

  3. Brucella BioR Regulator Defines a Complex Regulatory Mechanism for Bacterial Biotin Metabolism

    Science.gov (United States)

    Xu, Jie; Zhang, Huimin; Srinivas, Swaminath

    2013-01-01

    The enzyme cofactor biotin (vitamin H or B7) is an energetically expensive molecule whose de novo biosynthesis requires 20 ATP equivalents. It seems quite likely that diverse mechanisms have evolved to tightly regulate its biosynthesis. Unlike the model regulator BirA, a bifunctional biotin protein ligase with the capability of repressing the biotin biosynthetic pathway, BioR has been recently reported by us as an alternative machinery and a new type of GntR family transcriptional factor that can repress the expression of the bioBFDAZ operon in the plant pathogen Agrobacterium tumefaciens. However, quite unusually, a closely related human pathogen, Brucella melitensis, has four putative BioR-binding sites (both bioR and bioY possess one site in the promoter region, whereas the bioBFDAZ [bio] operon contains two tandem BioR boxes). This raised the question of whether BioR mediates the complex regulatory network of biotin metabolism. Here, we report that this is the case. The B. melitensis BioR ortholog was overexpressed and purified to homogeneity, and its solution structure was found to be dimeric. Functional complementation in a bioR isogenic mutant of A. tumefaciens elucidated that Brucella BioR is a functional repressor. Electrophoretic mobility shift assays demonstrated that the four predicted BioR sites of Brucella plus the BioR site of A. tumefaciens can all interact with the Brucella BioR protein. In a reporter strain that we developed on the basis of a double mutant of A. tumefaciens (the ΔbioR ΔbioBFDA mutant), the β-galactosidase (β-Gal) activity of three plasmid-borne transcriptional fusions (bioBbme-lacZ, bioYbme-lacZ, and bioRbme-lacZ) was dramatically decreased upon overexpression of Brucella bioR. Real-time quantitative PCR analyses showed that the expression of bioBFDA and bioY is significantly elevated upon removal of bioR from B. melitensis. Together, we conclude that Brucella BioR is not only a negative autoregulator but also a repressor of

  4. CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.

    Science.gov (United States)

    Bae, Brian; Chen, James; Davis, Elizabeth; Leon, Katherine; Darst, Seth A; Campbell, Elizabeth A

    2015-09-08

    A key point to regulate gene expression is at transcription initiation, and activators play a major role. CarD, an essential activator in Mycobacterium tuberculosis, is found in many bacteria, including Thermus species, but absent in Escherichia coli. To delineate the molecular mechanism of CarD, we determined crystal structures of Thermus transcription initiation complexes containing CarD. The structures show CarD interacts with the unique DNA topology presented by the upstream double-stranded/single-stranded DNA junction of the transcription bubble. We confirm that our structures correspond to functional activation complexes, and extend our understanding of the role of a conserved CarD Trp residue that serves as a minor groove wedge, preventing collapse of the transcription bubble to stabilize the transcription initiation complex. Unlike E. coli RNAP, many bacterial RNAPs form unstable promoter complexes, explaining the need for CarD.

  5. Inclusion of 5-[4-(1-dodecanoylpyridinium)]-10,15,20-triphenylporphine in supramolecular aggregates of cationic amphiphilic cyclodextrins: physicochemical characterization of the complexes and strengthening of the antimicrobial photosensitizing activity.

    Science.gov (United States)

    Ferro, Stefania; Jori, Giulio; Sortino, Salvatore; Stancanelli, Rosanna; Nikolov, Peter; Tognon, Giuseppe; Ricchelli, Fernanda; Mazzaglia, Antonino

    2009-09-14

    Recent findings suggest that visible light-promoted photooxidative processes mediated by sensitizers of appropriate chemical structure could represent a useful tool for properly addressing the problem of the increasing occurrence of infectious diseases caused by multiantibiotic-resistant microbial pathogens. The monocationic meso-substituted porphyrin 5-[4-(1-dodecanoylpyridinium)]-10,15,20-triphenyl-porphine (TDPyP) complexed into supramolecular aggregates of cationic amphiphilic beta-cyclodextrin (SC(6)NH(2)) (mean diameter = 20 nm) appeared to be endowed with favorable properties to act as a photosensitizing agent, including a very high quantum yield (Phi(Delta) = 0.90) for the generation of the highly reactive oxygen species, singlet oxygen ((1)O(2)). Although the yield of (1)O(2) generation was comparable to that obtained after TDPyP incorporation into cationic unilamellar liposomes of N-[1-(2,3-dioleoyloxy)propyl]-N,N,N-trimethylammonium chloride (DOTAP) SC(6)NH(2)-bound TDPyP was more active than DOTAP-bound TDPyP in photosensitizing the inactivation of the Gram-positive methicillin-resistant bacterium Staphylococcus aureus (MRSA). At variance with DOTAP-bound TDPyP, photoactivated SC(6)NH(2)-bound TDPyP was efficient also in photokilling Gram-negative bacterial pathogens, such as Escherichia coli . These observations are in agreement with the well-known photobactericidal effect of positively charged porphyrin derivatives, which can be markedly enhanced after incorporation into carriers with multiple positive charges. In addition, transmission electron microscopy studies revealed that potentiation of the TDPyP-mediated photobactericidal effect by incorporation into SC(6)NH(2) is a consequence of the carrier's ability to promote an efficient crossing of the very tightly organized three-dimensional architecture of the bacterial outer wall by the embedded porphyrin so that a prompt interaction between the short-lived photogenerated (1)O(2) and the nearby

  6. Neutron scattering techniques in the examination of recycled aggregate concrete

    International Nuclear Information System (INIS)

    Krezel, A.; Alabaster, P.; Bakshi, E.; McManus, K.

    1999-01-01

    Full text: Researchers at Swinburne University of Technology (SUT) have undertaken a research project aiming initially at better understanding the effects of any chemical impurities in Recycled Concrete Aggregate (RCA) on the microstructure development of Recycled Aggregate Concrete (RAC). Furthermore, a porosity of RCA and RAC and its effect on the acoustic performance and mechanical properties is being investigated. A number of conventional tests have been employed to examine the porosity of the aggregate and concrete made from RCA ranging from Volume of Permeable Voids test, through nitrogen adsorption to scanning electron microscopy. These tests are performed at SUT to characterise pores structure including pore size and volume as well as their surface area. The preparation of samples differs for the various tests, and this is a main reason contributing to inconsistencies in the results from these tests. None-the-less the results indicate strong positive correlation of inherent and purposely introduced porosity in RAC to its sound absorption capacities. Some inconsistency in the results is also due to the complexity of concrete itself compounded by the use of recycled material. However, the research has been granted a Grant from Australian Institute of Nuclear Science and Engineering (AINSE) which allows to conduct RAC examination using Small Angle Neutron Scattering (SANS). This neutron scattering technique characterises pore structure in a non-destructive manner. The results from this method should augment these obtained from conventional methods

  7. Effects of Pedogenic Fe Oxides on Soil Aggregate-Associated Carbon

    Science.gov (United States)

    Asefaw Berhe, A.; Jin, L.

    2017-12-01

    Carbon sequestration is intimately related to the soil structure, mainly soil aggregate dynamics. Carbon storage in soil aggregates has been recognized as an important carbon stabilization mechanism in soils. Organic matter and pedogenic Fe oxides are major binding agents that facilitate soil aggregate formation and stability. However, few studies have investigated how different forms of pedogenic Fe oxides can affect soil carbon distribution in different aggregate-size fractions. We investigated sequentially extracted pedogenic Fe oxides (in the order of organically complexed Fe extracted with sodium pyrophosphate, poorly-crystalline Fe oxides extracted with hydroxylamine hydrochloride, and crystalline Fe oxides extracted with dithionite hydrochloride) and determined the amount and nature of C in macroaggregates (2-0.25mm), microaggregates (0.25-0.053mm), and two silt and clay fractions (0.053-0.02mm, and soil from Sierra Nevada mountain in California. We also determined how pedogenic Fe oxides affect soil carbon distribution along soil depth gradients. Findings of our study revealed that the proportion of organic matter complexed Fe decreased, but the proportion of crystalline Fe increased with increasing soil depths. Poorly crystalline Fe oxides (e.g. ferrihydrite) was identified as a major Fe oxide in surface soil, whereas crystalline Fe oxides (e.g. goethite) were found in deeper soil layers. These results suggest that high concentration of organic matter in surface soil suppressed Fe crystallization. Calcium cation was closely related to the pyrophosphate extractable Fe and C, which indicates that calcium may be a major cation that contribute to the organic matter complexed Fe and C pool. Increasing concentrations of extractable Fe and C with decreasing aggregate size fractions also suggests that Fe oxides play an important role in formation and stability of silt and clay fractions, and leading to further stabilization of carbon in soil. Our findings provide

  8. Observing Convective Aggregation

    Science.gov (United States)

    Holloway, Christopher E.; Wing, Allison A.; Bony, Sandrine; Muller, Caroline; Masunaga, Hirohiko; L'Ecuyer, Tristan S.; Turner, David D.; Zuidema, Paquita

    2017-11-01

    Convective self-aggregation, the spontaneous organization of initially scattered convection into isolated convective clusters despite spatially homogeneous boundary conditions and forcing, was first recognized and studied in idealized numerical simulations. While there is a rich history of observational work on convective clustering and organization, there have been only a few studies that have analyzed observations to look specifically for processes related to self-aggregation in models. Here we review observational work in both of these categories and motivate the need for more of this work. We acknowledge that self-aggregation may appear to be far-removed from observed convective organization in terms of time scales, initial conditions, initiation processes, and mean state extremes, but we argue that these differences vary greatly across the diverse range of model simulations in the literature and that these comparisons are already offering important insights into real tropical phenomena. Some preliminary new findings are presented, including results showing that a self-aggregation simulation with square geometry has too broad distribution of humidity and is too dry in the driest regions when compared with radiosonde records from Nauru, while an elongated channel simulation has realistic representations of atmospheric humidity and its variability. We discuss recent work increasing our understanding of how organized convection and climate change may interact, and how model discrepancies related to this question are prompting interest in observational comparisons. We also propose possible future directions for observational work related to convective aggregation, including novel satellite approaches and a ground-based observational network.

  9. Fly ash aggregates. Vliegaskunstgrind

    Energy Technology Data Exchange (ETDEWEB)

    1983-03-01

    A study has been carried out into artificial aggregates made from fly ash, 'fly ash aggregates'. Attention has been drawn to the production of fly ash aggregates in the Netherlands as a way to obviate the need of disposal of fly ash. Typical process steps for the manufacturing of fly ash aggregates are the agglomeration and the bonding of fly ash particles. Agglomeration techniques are subdivided into agitation and compaction, bonding methods into sintering, hydrothermal and 'cold' bonding. In sintering no bonding agent is used. The fly ash particles are more or less welded together. Sintering in general is performed at a temperature higher than 900 deg C. In hydrothermal processes lime reacts with fly ash to a crystalline hydrate at temperatures between 100 and 250 deg C at saturated steam pressure. As a lime source not only lime as such, but also portland cement can be used. Cold bonding processes rely on reaction of fly ash with lime or cement at temperatures between 0 and 100 deg C. The pozzolanic properties of fly ash are used. Where cement is applied, this bonding agent itself contributes also to the strength development of the artificial aggregate. Besides the use of lime and cement, several processes are known which make use of lime containing wastes such as spray dry absorption desulfurization residues or fluid bed coal combustion residues. (In Dutch)

  10. A molecular dynamics (MD simulation on tire-aggregate friction

    Directory of Open Access Journals (Sweden)

    Fengyan Sun

    2017-07-01

    Full Text Available The friction between tire and road surface is fundamentally depending on the molecular forces. In this paper, the nanoscale 3D contact model is employed to investigate the tire-aggregate friction mechanism. The tire and aggregate micro-structure are both constructed to evaluate the microscopic performance of tire-aggregate friction influence. Simulation results show for a high velocity, the energy dissipation of sliding on crystal structure is small, which results in a small friction coefficient; temperature will have influences on the friction coefficient, and with the increasing of velocity, the effect will gradually reduce. Keywords: Tire, Aggregate, Friction coefficient, Microscopic mechanism, MD simulation

  11. [Research methods of carbon sequestration by soil aggregates: a review].

    Science.gov (United States)

    Chen, Xiao-Xia; Liang, Ai-Zhen; Zhang, Xiao-Ping

    2012-07-01

    To increase soil organic carbon content is critical for maintaining soil fertility and agricultural sustainable development and for mitigating increased greenhouse gases and the effects of global climate change. Soil aggregates are the main components of soil, and have significant effects on soil physical and chemical properties. The physical protection of soil organic carbon by soil aggregates is the important mechanism of soil carbon sequestration. This paper reviewed the organic carbon sequestration by soil aggregates, and introduced the classic and current methods in studying the mechanisms of carbon sequestration by soil aggregates. The main problems and further research trends in this study field were also discussed.

  12. Use of Prothrombin Complex Concentrate in Patients during Heart Transplantation after Implantation of a Left Ventricular Mechanical Support System

    Directory of Open Access Journals (Sweden)

    V. V. Lomivorotov

    2012-01-01

    Full Text Available Heart transplantation in patients after implantation of mechanical cardiac support devices entails an extremely high risk for perioperative bleeding. Recombinant activated coagulation factor VII is presently used to reduce the volume of bleeding in this patient group. There are parallel data on its administration-induced thromboembolic events in the literature. This paper describes a case of using a prothrombin complex concentrate in a patient during explantation of a left ventricular bypass system and subsequent orthotopic heart transplantation in the presence of significant hypocoagulation. At the end of a surgery, 1200 IU of the agent was used at a remaining bleeding rate of more than 1000 ml/hour. Within the first 24 hours after surgery, the rate of discharge drainage was less than 100 ml/hour. A control plain chest X-ray study revealed massive left-sided hydrothorax on day 2 postsurgery. The left pleural cavity was revised under thoracoscopic guidance and 1000 ml of blood clots were evacuated. Although the administration of prothrombin complex concentrate did not guard against re-intervention, its use seems a promising strategy in life-threatening bleedings in patients after explantation of mechanical cardiac support devices. Further multicenter investigations are required to determine the efficacy and safety of prothrom-bin complex concentration in cardiac surgery. Key words: Recombinant activated coagulation factor VII, prothrombin complex concentration, mechanical cardiac support device, orthotopic heart transplantation.

  13. Feasibility Study on Manufacturing Lightweight Aggregates from Water Purification Sludge

    Science.gov (United States)

    Peng, Ching-Fang; Chen, How-Ji

    2018-02-01

    This study mainly discussed the feasibility of manufacturing lightweight aggregates from water purification sludge in Taiwan. They were analysed for the physical and chemical composition before the sintering test for lightweight aggregates in a laboratory. Then the physical and mechanical properties of the synthesized aggregates were assessed. The result showed that the chemical composition of sludge in the water purification plants was within the appropriate range for manufacturing lightweight aggregate as proposed in the literature. The sintering test demonstrated that the particle density of aggregates from the ten types of water purification sludge were mostly less than 1.8 g/cm3. In addition, the dry unit weight, the organic impurity, the ignition loss, and other characteristics of synthesized aggregates met the requirement of CNS standards, while its water absorption and crushing strength also fulfilled the general commercial specifications. Therefore, reclamation of water purification sludge for production of lightweight aggregate is indeed feasible.

  14. Reusing recycled aggregates in structural concrete

    Science.gov (United States)

    Kou, Shicong

    The utilization of recycled aggregates in concrete can minimize environmental impact and reduce the consumption of natural resources in concrete applications. The aim of this thesis is to provide a scientific basis for the possible use of recycled aggregates in structure concrete by conducting a comprehensive programme of laboratory study to gain a better understanding of the mechanical, microstructure and durability properties of concrete produced with recycled aggregates. The study also explored possible techniques to of improve the properties of recycled aggregate concrete that is produced with high percentages (≧ 50%) of recycled aggregates. These techniques included: (a) using lower water-to-cement ratios in the concrete mix design; (b) using fly ash as a cement replacement or as an additional mineral admixture in the concrete mixes, and (c) precasting recycled aggregate concrete with steam curing regimes. The characteristics of the recycled aggregates produced both from laboratory and a commercially operated pilot construction and demolition (C&D) waste recycling plant were first studied. A mix proportioning procedure was then established to produce six series of concrete mixtures using different percentages of recycled coarse aggregates with and without the use of fly ash. The water-to-cement (binder) ratios of 0.55, 0.50, 0.45 and 0.40 were used. The fresh properties (including slump and bleeding) of recycled aggregate concrete (RAC) were then quantified. The effects of fly ash on the fresh and hardened properties of RAC were then studied and compared with those RAC prepared with no fly ash addition. Furthermore, the effects of steam curing on the hardened properties of RAC were investigated. For micro-structural properties, the interfacial transition zones of the aggregates and the mortar/cement paste were analyzed by SEM and EDX-mapping. Moreover, a detailed set of results on the fracture properties for RAC were obtained. Based on the experimental

  15. Mechanism of mechanochemical synthesis of complex oxides and the peculiarities of their nano-structurization determining sintering

    Directory of Open Access Journals (Sweden)

    Zyryanov V.V.

    2005-01-01

    Full Text Available A mechanism of superfast mechanosynthesis reaction for oxide systems is proposed on the base of a dynamics study. The threshold effect and linear dependence of the chemical response on the effective temperature of the reaction zone are established. Major factors are determined: molecular mass of reagents, enthalpy and difference of reagents in Mohs’s hardness, which also influence the composition of the primary product. Primary acts are characterized by a superfast roller mechanism of mass transfer with the formation of a transient dynamic state (D*. Secondary acts slowly approximate the composition of the product to the composition of the starting mixture by diffusion mass transfer in a deformation mixing regime with a contribution of a rotation (roller mechanism. The list of structure types for complex oxides derived by mechanosynthesis includes perovskites, fluorites, pyrochlors, sheelites, and some other ones. Powders of crystal products display multilevel structurization. In all studied complex oxides strong disordering of the “anti-glass” type was observed. The mechanism of sintering was studied in BaTiO3 powders of different origin and in metastable complex oxides derived by mechanosynthesis. The major contribution in shrinkage belongs to rearrangements of crystalline particles as a whole. Structure transformations accompany, as a rule, sintering of inhomogeneous powders derived by mechanosynthesis.

  16. Molecular Mechanisms Underlying the Epileptogenesis and Seizure Progression in Tuberous Sclerosis Complex 1 Deficient Mouse Models

    Science.gov (United States)

    2016-10-01

    dysregulation in epileptogenesis in the developing brain? 2) What are the molecular mechanisms downstream of mTOR hyperactivation that trigger epileptogenesis...underlying epilepsy. Hopefully, a knowledge of these mechanisms will aid in a rational development of therapies. KEYWORDS Tuberous Sclerosis, Epilepsy

  17. Trends and challenges in the mechanics of complex materials: a view

    Science.gov (United States)

    Mariano, Paolo Maria

    2016-01-01

    This article introduces the collection of papers in this issue of the Philosophical Transactions of the Royal Society A and offers a perspective view on the description of the mechanics of material characterized by a prominent influence of small-scale phenomena on the gross mechanical behaviour. PMID:27002073

  18. Platelet aggregation following trauma

    DEFF Research Database (Denmark)

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

    2014-01-01

    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...... 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...... aggregation response and ISS. Higher TRAP values were associated with death due to cerebral injuries (P 

  19. Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

    Science.gov (United States)

    Niu, Shuqiang; Huang, Dao-Ling; Dau, Phuong D; Liu, Hong-Tao; Wang, Lai-Sheng; Ichiye, Toshiko

    2014-03-11

    Broken-symmetry density functional theory (BS-DFT) calculations are assessed for redox energetics [Cu(SCH 3 ) 2 ] 1-/0 , [Cu(NCS) 2 ] 1-/0 , [FeCl 4 ] 1-/0 , and [Fe(SCH 3 ) 4 ] 1-/0 against vertical detachment energies (VDE) from valence photoelectron spectroscopy (PES), as a prelude to studies of metalloprotein analogs. The M06 and B3LYP hybrid functionals give VDE that agree with the PES VDE for the Fe complexes, but both underestimate it by ∼400 meV for the Cu complexes; other hybrid functionals give VDEs that are an increasing function of the amount of Hartree-Fock (HF) exchange and so cannot show good agreement for both Cu and Fe complexes. Range-separated (RS) functionals appear to give a better distribution of HF exchange since the negative HOMO energy is approximately equal to the VDEs but also give VDEs dependent on the amount of HF exchange, sometimes leading to ground states with incorrect electron configurations; the LRC- ω PBEh functional reduced to 10% HF exchange at short-range give somewhat better values for both, although still ∼150 meV too low for the Cu complexes and ∼50 meV too high for the Fe complexes. Overall, the results indicate that while HF exchange compensates for self-interaction error in DFT calculations of both Cu and Fe complexes, too much may lead to more sensitivity to nondynamical correlation in the spin-polarized Fe complexes.

  20. Cholesterol impairment contributes to neuroserpin aggregation

    Science.gov (United States)

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

    2017-03-01

    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.

  1. Enzyme-like catalysis via ternary complex mechanism: alkoxy-bridged dinuclear cobalt complex mediates chemoselective O-esterification over N-amidation.

    Science.gov (United States)

    Hayashi, Yukiko; Santoro, Stefano; Azuma, Yuki; Himo, Fahmi; Ohshima, Takashi; Mashima, Kazushi

    2013-04-24

    Hydroxy group-selective acylation in the presence of more nucleophilic amines was achieved using acetates of first-row late transition metals, such as Mn, Fe, Co, Cu, and Zn. Among them, cobalt(II) acetate was the best catalyst in terms of reactivity and selectivity. The combination of an octanuclear cobalt carboxylate cluster [Co4(OCOR)6O]2 (2a: R = CF3, 2b: R = CH3, 2c: R = (t)Bu) with nitrogen-containing ligands, such as 2,2'-bipyridine, provided an efficient catalytic system for transesterification, in which an alkoxide-bridged dinuclear complex, Co2(OCO(t)Bu)2(bpy)2(μ2-OCH2-C6H4-4-CH3)2 (10), was successfully isolated as a key intermediate. Kinetic studies and density functional theory calculations revealed Michaelis-Menten behavior of the complex 10 through an ordered ternary complex mechanism similar to dinuclear metallo-enzymes, suggesting the formation of alkoxides followed by coordination of the ester.

  2. Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidase.

    Science.gov (United States)

    Woods, Christopher J; Shaw, Katherine E; Mulholland, Adrian J

    2015-01-22

    The applicability of combined quantum mechanics/molecular mechanics (QM/MM) methods for the calculation of absolute binding free energies of conserved water molecules in protein/ligand complexes is demonstrated. Here, we apply QM/MM Monte Carlo simulations to investigate binding of water molecules to influenza neuraminidase. We investigate five different complexes, including those with the drugs oseltamivir and peramivir. We investigate water molecules in two different environments, one more hydrophobic and one hydrophilic. We calculate the free-energy change for perturbation of a QM to MM representation of the bound water molecule. The calculations are performed at the BLYP/aVDZ (QM) and TIP4P (MM) levels of theory, which we have previously demonstrated to be consistent with one another for QM/MM modeling. The results show that the QM to MM perturbation is significant in both environments (greater than 1 kcal mol(-1)) and larger in the more hydrophilic site. Comparison with the same perturbation in bulk water shows that this makes a contribution to binding. The results quantify how electronic polarization differences in different environments affect binding affinity and also demonstrate that extensive, converged QM/MM free-energy simulations, with good levels of QM theory, are now practical for protein/ligand complexes.

  3. Role of Ca2+ in the binding mechanism of EHDP-Tc complex to bone

    International Nuclear Information System (INIS)

    Langevelde, A. van; Huisman, C.M.; Driessen, O.M.J.; Pauwels, E.K.J.

    1979-01-01

    Experiments are described testing the hypothesis that 99m-Tc-EHDP complex travels to bone as a unit and dissociates at the bone binding site because of the high affinity of EHDP for hydroxyapatite after which technetium binds separately. The results indicate that technetium is not dissociated from EHDP in binding to hydroxyapatite, but the EHDP-Tc-ligand stays intact. It is postulated that calcium plays an important role in bone-labelling with EHDP-Tc complex and that in fact the EHDP-Ca-Tc complex is the binding agent. Only by assuming the presence of this agent could the action of magnesium-ions or of excess calcium-ions be explained. (Auth./C.F.)

  4. Double complexes and cohomological hierarchy in a space of weakly invariant Lagrangians of mechanics

    International Nuclear Information System (INIS)

    Khudaverdyan, O.M.; Saakyan, D.A.

    1998-01-01

    For a given configuration space M and Lie algebra G acting on M the space ν 0.0 of weakly G-invariant Lagrangians, i.e., Lagrangians whose motion equations left-hand sides are G-invariant, is studied. The problem is reformulated in terms of the double complex of Lie algebra cochains with values in the complex of Lagrangians. Calculating the cohomology of this complex by the method of spectral sequences we arrive at the hierarchy in the space ν 0.0 . The double filtration {ν s.σ }, s = 0,1,2,3,4, σ = 0,1, and the homomorphisms on every space ν s,σ are constructed. These homomorphisms take values in the cohomologies of the algebra G and the configuration space M. On one hand, every space ν s,σ in the kernel of the corresponding homomorphism, while the space itself is defined by its physical properties

  5. Theoretical Proposal for the Whole Phosphate Diester Hydrolysis Mechanism Promoted by a Catalytic Promiscuous Dinuclear Copper(II) Complex.

    Science.gov (United States)

    Esteves, Lucas F; Rey, Nicolás A; Dos Santos, Hélio F; Costa, Luiz Antônio S

    2016-03-21

    The catalytic mechanism that involves the cleavage of the phosphate diester model BDNPP (bis(2,4-dinitrophenyl) phosphate) catalyzed through a dinuclear copper complex is investigated in the current study. The metal complex was originally designed to catalyze catechol oxidation, and it showed an interesting catalytic promiscuity case in biomimetic systems. The current study investigates two different reaction mechanisms through quantum mechanics calculations in the gas phase, and it also includes the solvent effect through PCM (polarizable continuum model) single-point calculations using water as solvent. Two mechanisms are presented in order to fully describe the phosphate diester hydrolysis. Mechanism 1 is of the S(N)2 type, which involves the direct attack of the μ-OH bridge between the two copper(II) ions toward the phosphorus center, whereas mechanism 2 is the process in which hydrolysis takes place through proton transfer between the oxygen atom in the bridging hydroxo ligand and the other oxygen atom in the phosphate model. Actually, the present theoretical study shows two possible reaction paths in mechanism 1. Its first reaction path (p1) involves a proton transfer that occurs immediately after the hydrolytic cleavage, so that the proton transfer is the rate-determining step, which is followed by the entry of two water molecules. Its second reaction path (p2) consists of the entry of two water molecules right after the hydrolytic cleavage, but with no proton transfer; thus, hydrolytic cleavage is the rate-limiting step. The most likely catalytic path occurs in mechanism 1, following the second reaction path (p2), since it involves the lowest free energy activation barrier (ΔG(⧧) = 23.7 kcal mol(-1), in aqueous solution). A kinetic analysis showed that the experimental k(obs) value of 1.7 × 10(-5) s(-1) agrees with the calculated value k1 = 2.6 × 10(-5) s(-1); the concerted mechanism is kinetically favorable. The KIE (kinetic isotope effect) analysis

  6. Causes and mechanisms of thermal embrittlement and corrosion cracking of complex α-titanium alloys

    International Nuclear Information System (INIS)

    Ushkov, S.S.; Rybin, V.V.; Razuvaeva, I.N.; Nesterova, E.V.; Gunbina, O.A.

    1995-01-01

    Effect of aging under 500 deg C on mechanical and corrosion-mechanical properties of Ti-6Al base titanium α-alloys with zirconium and carbon additions is studied. Using electron microscopy one determines the reasons of reduction of plasticity and of corrosion-mechanical strength of alloys after aging. It is determined that in the given alloys there are two different processes with occurrence different kinetics: the first one-formation of grain-boundary precipitations of Ti 2 (Fe, Ni) intermetallic compound responsible for plasticity reduction; and the second one-homogeneous decomposition of Ti-Al solid solution responsible for reduction of corrosion-mechanical properties. 14 refs., 6 figs

  7. Nonlinear time reversal signal processing techniques applied to acousto-mechanical imaging of complex materials

    Czech Academy of Sciences Publication Activity Database

    Dos Santos, S.; Dvořáková, Zuzana; Caliez, M.; Převorovský, Zdeněk

    2015-01-01

    Roč. 138, č. 3 (2015) ISSN 0001-4966 Institutional support: RVO:61388998 Keywords : acousto-mechanical characterization of skin aging * nonlinear elastic wave spectroscopy (NEWS) * PM-space statistical approach Subject RIV: BI - Acoustics

  8. Whisker growth: a new mechanism for helium blistering of surfaces in complex radiation environments

    International Nuclear Information System (INIS)

    McDonell, W.R.

    1978-01-01

    Implantation of helium concurrent with the generation of large numbers of displaced atoms in surface layers of materials exposed to 252 Cf α-particles and fission fragments produces a unique form of low temperature surface blistering. The purpose of this paper is to formulate a basis for the whisker-growth mechanism for helium blistering as an aid to the specification of conditions under which the mechanism might apply

  9. Erosion of dust aggregates

    NARCIS (Netherlands)

    Seizinger, A.; Krijt, S.; Kley, W.

    2013-01-01

    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

  10. Aggregates, broccoli and cauliflower

    Science.gov (United States)

    Grey, Francois; Kjems, Jørgen K.

    1989-09-01

    Naturally grown structures with fractal characters like broccoli and cauliflower are discussed and compared with DLA-type aggregates. It is suggested that the branching density can be used to characterize the growth process and an experimental method to determine this parameter is proposed.

  11. Relative aggregation operator in database fuzzy querying

    Directory of Open Access Journals (Sweden)

    Luminita DUMITRIU

    2005-12-01

    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.

  12. Neuroprotective Effects and Mechanisms of Curcumin–Cu(II and –Zn(II Complexes Systems and Their Pharmacological Implications

    Directory of Open Access Journals (Sweden)

    Fa-Shun Yan

    2017-12-01

    Full Text Available Alzheimer’s disease (AD is the main form of dementia and has a steadily increasing prevalence. As both oxidative stress and metal homeostasis are involved in the pathogenesis of AD, it would be interesting to develop a dual function agent, targeting the two factors. Curcumin, a natural compound isolated from the rhizome of Curcuma longa, is an antioxidant and can also chelate metal ions. Whether the complexes of curcumin with metal ions possess neuroprotective effects has not been evaluated. Therefore, the present study was designed to investigate the protective effects of the complexes of curcumin with Cu(II or Zn(II on hydrogen peroxide (H2O2-induced injury and the underlying molecular mechanisms. The use of rat pheochromocytoma (PC12 cells, a widely used neuronal cell model system, was adopted. It was revealed that curcumin–Cu(II complexes systems possessed enhanced O2·–-scavenging activities compared to unchelated curcumin. In comparison with unchelated curcumin, the protective effects of curcumin–Cu(II complexes systems were stronger than curcumin–Zn(II system. Curcumin–Cu(II or –Zn(II complexes systems significantly enhanced the superoxide dismutase, catalase, and glutathione peroxidase activities and attenuated the increase of malondialdehyde levels and caspase-3 and caspase-9 activities, in a dose-dependent manner. The curcumin–Cu(II complex system with a 2:1 ratio exhibited the most significant effect. Further mechanistic study demonstrated that curcumin–Cu(II or –Zn(II complexes systems inhibited cell apoptosis via downregulating the nuclear factor κB (NF-κB pathway and upregulating Bcl-2/Bax pathway. In summary, the present study found that curcumin–Cu(II or –Zn(II complexes systems, especially the former, possess significant neuroprotective effects, which indicates the potential advantage of curcumin as a promising agent against AD and deserves further study.

  13. Neuroprotective Effects and Mechanisms of Curcumin-Cu(II) and -Zn(II) Complexes Systems and Their Pharmacological Implications.

    Science.gov (United States)

    Yan, Fa-Shun; Sun, Jian-Long; Xie, Wen-Hai; Shen, Liang; Ji, Hong-Fang

    2017-12-28

    Alzheimer's disease (AD) is the main form of dementia and has a steadily increasing prevalence. As both oxidative stress and metal homeostasis are involved in the pathogenesis of AD, it would be interesting to develop a dual function agent, targeting the two factors. Curcumin, a natural compound isolated from the rhizome of Curcuma longa , is an antioxidant and can also chelate metal ions. Whether the complexes of curcumin with metal ions possess neuroprotective effects has not been evaluated. Therefore, the present study was designed to investigate the protective effects of the complexes of curcumin with Cu(II) or Zn(II) on hydrogen peroxide (H₂O₂)-induced injury and the underlying molecular mechanisms. The use of rat pheochromocytoma (PC12) cells, a widely used neuronal cell model system, was adopted. It was revealed that curcumin-Cu(II) complexes systems possessed enhanced O₂ ·- -scavenging activities compared to unchelated curcumin. In comparison with unchelated curcumin, the protective effects of curcumin-Cu(II) complexes systems were stronger than curcumin-Zn(II) system. Curcumin-Cu(II) or -Zn(II) complexes systems significantly enhanced the superoxide dismutase, catalase, and glutathione peroxidase activities and attenuated the increase of malondialdehyde levels and caspase-3 and caspase-9 activities, in a dose-dependent manner. The curcumin-Cu(II) complex system with a 2:1 ratio exhibited the most significant effect. Further mechanistic study demonstrated that curcumin-Cu(II) or -Zn(II) complexes systems inhibited cell apoptosis via downregulating the nuclear factor κB (NF-κB) pathway and upregulating Bcl-2/Bax pathway. In summary, the present study found that curcumin-Cu(II) or -Zn(II) complexes systems, especially the former, possess significant neuroprotective effects, which indicates the potential advantage of curcumin as a promising agent against AD and deserves further study.

  14. Complex rupture mechanism and topography control symmetry of mass - wasting pattern, 2010 Haiti earthquake

    NARCIS (Netherlands)

    Gorum, T.; van Westen, C.J.; Korup, Oliver; van der Meijde, M.; Fan, Xuanmei; van der Meer, F.D.

    2013-01-01

    The 12 January 2010 Mw 7.0 Haiti earthquake occurred in a complex deformation zone at the boundary between the North American and Caribbean plates. Combined geodetic, geological and seismological data posited that surface deformation was driven by rupture on the Léogâne blind thrust fault, while

  15. Unravelling The Mechanism of Basic Aqueous Methanol Dehydrogenation Catalyzed By Ru-PNP Pincer Complexes

    DEFF Research Database (Denmark)

    Alberico, Elisabetta; Lennox, Alastair J. J.; Vogt, Lydia K.

    2016-01-01

    Ruthenium PNP complex 1a (RuH(CO)Cl(HN(C2H4Pi-Pr2)2)) represents a state-of-the-art catalyst for low-temperature (methanol dehydrogenation to H2 and CO2. Herein, we describe an investigation that combines experiment, spectroscopy, and theory to provide a mechanistic rationale...

  16. Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

    Science.gov (United States)

    Marcus, R. A.

    1964-01-01

    In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

  17. Complex I Disorders: Causes, Mechanisms, and Development of Treatment Strategies at the Cellular Level

    Science.gov (United States)

    Valsecchi, Federica; Koopman, Werner J. H.; Manjeri, Ganesh R.; Rodenburg, Richard J.; Smeitink, Jan A. M.; Willems, Peter H. G. M.

    2010-01-01

    Mitochondrial oxidative phosphorylation (OXPHOS) represents the final step in the conversion of nutrients into cellular energy. Genetic defects in the OXPHOS system have an incidence between 1:5,000 and 1:10,000 live births. Inherited isolated deficiency of the first complex (CI) of this system, a multisubunit assembly of 45 different proteins,…

  18. Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics

    NARCIS (Netherlands)

    De Wispelaere, K.; Ensing, B.; Ghysels, A.; Meijer, E.J.; van Van Speybroeck, V.

    2015-01-01

    The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real operating conditions, many factors affect the reactivity, such as framework flexibility, adsorption of various guest molecules, and competitive reaction pathways. In this study, the strength of first

  19. Actinide complexation kinetics: rate and mechanism of dioxoneptunium (V) reaction with chlorophosphonazo III

    International Nuclear Information System (INIS)

    Fugate, G.; Feil-Jenkins, J.F.; Sullivan, J.C.; Nash, K.L.

    1996-12-01

    Rates of complex formation and dissociation in NpO 2 + - Chlorophosphonazo III (2,7-bis(4-chloro-2-phosphonobenzeneazo)-1,8- dihydroxynapthalene-3,6-disulfonic acid)(CLIII) were investigated by stopped-flow spectrophotometry. Also, limited studies were made of the rates of reaction of La 3+ , Eu 3+ , Dy 3+ , and Fe 3+ with CLIII. Rate determining step in each system is an intramolecular process, the NpO 2 + -CLIII reaction proceeding by a first order approach to equilibrium in the acid range from 0.1 to 1.0 M. Complex formation occurs independent of acidity, while both acid dependent and independent dissociation pathways are observed. Activation parameters for the complex formation reaction are ΔH=46.2±0.3 kJ/m and ΔS=7± J/mK (I=1.0 M); these for the acid dependent and independent dissociation pathways are ΔH=38.8±0.6 kJ/m, ΔS=-96±18 J/mK, ΔH=70.0± kJ/m, and ΔS=17±1 J/mK, respectively. An isokinetic relationship is observed between the activation parameters for CLIII complex formation with NpO 2 + , UO 2 2+ , Th 4+ , and Zr 4+ . Rates of CLIII complex formation reactions for Fe 3+ , Zr 4+ , NpO 2 + , UO 2 2+ , Th 4+ , La 3+ , Eu 3+ , and Dy 3+ correlate with cation radius rather than charge/radius ratio

  20. Revelations from the Nematode Caenorhabditis elegans on the Complex Interplay of Metal Toxicological Mechanisms

    Directory of Open Access Journals (Sweden)

    Ebany J. Martinez-Finley

    2011-01-01

    Full Text Available Metals have been definitively linked to a number of disease states. Due to the widespread existence of metals in our environment from both natural and anthropogenic sources, understanding the mechanisms of their cellular detoxification is of upmost importance. Organisms have evolved cellular detoxification systems including glutathione, metallothioneins, pumps and transporters, and heat shock proteins to regulate intracellular metal levels. The model organism, Caenorhabditis elegans (C. elegans, contains these systems and provides several advantages for deciphering the mechanisms of metal detoxification. This review provides a brief summary of contemporary literature on the various mechanisms involved in the cellular detoxification of metals, specifically, antimony, arsenic, cadmium, copper, manganese, mercury, and depleted uranium using the C. elegans model system for investigation and analysis.

  1. Complexity of resistance mechanisms to imipenem in intensive care unit strains of Pseudomonas aeruginosa.

    Science.gov (United States)

    Fournier, Damien; Richardot, Charlotte; Müller, Emeline; Robert-Nicoud, Marjorie; Llanes, Catherine; Plésiat, Patrick; Jeannot, Katy

    2013-08-01

    Pseudomonas aeruginosa can become resistant to carbapenems by both intrinsic (mutation-driven) and transferable (β-lactamase-based) mechanisms. Knowledge of the prevalence of these various mechanisms is important in intensive care units (ICUs) in order to define optimal prevention and therapeutic strategies. A total of 109 imipenem-non-susceptible (MIC >4 mg/L) strains of P. aeruginosa were collected in June 2010 from the ICUs of 26 French public hospitals. Their resistance mechanisms were characterized by phenotypic, enzymatic, western blotting and molecular methods. Single or associated imipenem resistance mechanisms were identified among the 109 strains. Seven isolates (6.4%) were found to produce a metallo-β-lactamase (one VIM-1, four VIM-2, one VIM-4 and one IMP-29). Porin OprD was lost in 94 (86.2%) strains as a result of mutations or gene disruption by various insertion sequences (ISPa1635, ISPa1328, IS911, ISPs1, IS51, IS222 and ISPa41). Thirteen other strains were shown to be regulatory mutants in which down-regulation of oprD was coupled with overexpressed efflux pumps CzcCBA (n = 1), MexXY (n = 9) and MexEF-OprN (n = 3). The lack of OprD was due to disruption of the oprD promoter by ISPsy2 in one strain and alteration of the porin signal sequence in another. Imipenem resistance in ICU P. aeruginosa strains may result from multiple mechanisms involving metallo-β-lactamase gene acquisition and genetic events (mutations and ISs) inactivating oprD, turning down its expression while increasing efflux activities or preventing insertion of porin OprD in the outer membrane. This diversity of mechanisms allows P. aeruginosa, more than any other nosocomial pathogen, to rapidly adapt to carbapenems in ICUs.

  2. Sustainable aggregates production : green applications for aggregate by-products.

    Science.gov (United States)

    2015-06-01

    Increased emphasis in the construction industry on sustainability and recycling requires production of : aggregate gradations with lower dust (cleaner aggregates) and smaller maximum sizeshence, increased : amount of quarry by-products (QBs). QBs ...

  3. Performance Analysis with Network-Enhanced Complexities: On Fading Measurements, Event-Triggered Mechanisms, and Cyber Attacks

    Directory of Open Access Journals (Sweden)

    Derui Ding

    2014-01-01

    Full Text Available Nowadays, the real-world systems are usually subject to various complexities such as parameter uncertainties, time-delays, and nonlinear disturbances. For networked systems, especially large-scale systems such as multiagent systems and systems over sensor networks, the complexities are inevitably enhanced in terms of their degrees or intensities because of the usage of the communication networks. Therefore, it would be interesting to (1 examine how this kind of network-enhanced complexities affects the control or filtering performance; and (2 develop some suitable approaches for controller/filter design problems. In this paper, we aim to survey some recent advances on the performance analysis and synthesis with three sorts of fashionable network-enhanced complexities, namely, fading measurements, event-triggered mechanisms, and attack behaviors of adversaries. First, these three kinds of complexities are introduced in detail according to their engineering backgrounds, dynamical characteristic, and modelling techniques. Then, the developments of the performance analysis and synthesis issues for various networked systems are systematically reviewed. Furthermore, some challenges are illustrated by using a thorough literature review and some possible future research directions are highlighted.

  4. Populations of excited states and reaction mechanisms in the emission of complex fragments

    International Nuclear Information System (INIS)

    Gomez del Campo, J.

    1990-01-01

    Cross sections for emission of complex fragments (Z>2) in their ground and excited states are presented for several heavy-ion reactions at bombarding energies above 10 MeV/nucleon. Data presented are mostly on the cross sections extracted by γ-ray techniques. It is shown that a simple statistical approach to associate the ratio, of cross sections for excited states and ground states, to the temperature of the emitter fails to give the expected temperatures. However, it is shown that this is mostly due to the fact that the fragments that γ decay are secondary fragments, produced by the particle decay of the primary emitted complex fragments. A Hauser-Feshbach analysis accounts well for the cross sections and extracted temperatures. 22 refs., 6 figs

  5. Computational Experiment Study on Selection Mechanism of Project Delivery Method Based on Complex Factors

    Directory of Open Access Journals (Sweden)

    Xiang Ding

    2014-01-01

    Full Text Available Project delivery planning is a key stage used by the project owner (or project investor for organizing design, construction, and other operations in a construction project. The main task in this stage is to select an appropriate project delivery method. In order to analyze different factors affecting the PDM selection, this paper establishes a multiagent model mainly to show how project complexity, governance strength, and market environment affect the project owner’s decision on PDM. Experiment results show that project owner usually choose Design-Build method when the project is very complex within a certain range. Besides, this paper points out that Design-Build method will be the prior choice when the potential contractors develop quickly. This paper provides the owners with methods and suggestions in terms of showing how the factors affect PDM selection, and it may improve the project performance.

  6. The proteome of neurofilament-containing protein aggregates in blood

    Directory of Open Access Journals (Sweden)

    Rocco Adiutori

    2018-07-01

    Full Text Available Protein aggregation in biofluids is a poorly understood phenomenon. Under normal physiological conditions, fluid-borne aggregates may contain plasma or cell proteins prone to aggregation. Recent observations suggest that neurofilaments (Nf, the building blocks of neurons and a biomarker of neurodegeneration, are included in high molecular weight complexes in circulation. The composition of these Nf-containing hetero-aggregates (NCH may change in systemic or organ-specific pathologies, providing the basis to develop novel disease biomarkers. We have tested ultracentrifugation (UC and a commercially available protein aggregate binder, Seprion PAD-Beads (SEP, for the enrichment of NCH from plasma of healthy individuals, and then characterised the Nf content of the aggregate fractions using gel electrophoresis and their proteome by mass spectrometry (MS. Western blot analysis of fractions obtained by UC showed that among Nf isoforms, neurofilament heavy chain (NfH was found within SDS-stable high molecular weight aggregates. Shotgun proteomics of aggregates obtained with both extraction techniques identified mostly cell structural and to a lesser extent extra-cellular matrix proteins, while functional analysis revealed pathways involved in inflammatory response, phagosome and prion-like protein behaviour. UC aggregates were specifically enriched with proteins involved in endocrine, metabolic and cell-signalling regulation. We describe the proteome of neurofilament-containing aggregates isolated from healthy individuals biofluids using different extraction methods.

  7. Curcumin Attenuates Amyloid-β Aggregate Toxicity and Modulates Amyloid-β Aggregation Pathway.

    Science.gov (United States)

    Thapa, Arjun; Jett, Stephen D; Chi, Eva Y

    2016-01-20

    The abnormal misfolding and aggregation of amyloid-β (Aβ) peptides into β-sheet enriched insoluble deposits initiates a cascade of events leading to pathological processes and culminating in cognitive decline in Alzheimer's disease (AD). In particular, soluble oligomeric/prefibrillar Aβ have been shown to be potent neurotoxins. The naturally occurring polyphenol curcumin has been shown to exert a neuroprotective effect against age-related neurodegenerative diseases such as AD. However, its protective mechanism remains unclear. In this study, we investigated the effects of curcumin on the aggregation of Aβ40 as well as Aβ40 aggregate induced neurotoxicity. Our results show that the curcumin does not inhibit Aβ fibril formation, but rather enriches the population of "off-pathway" soluble oligomers and prefibrillar aggregates that were nontoxic. Curcumin also exerted a nonspecific neuroprotective effect, reducing toxicities induced by a range of Aβ conformers, including monomeric, oligomeric, prefibrillar, and fibrillar Aβ. The neuroprotective effect is possibly membrane-mediated, as curcumin reduced the extent of cell membrane permeabilization induced by Aβ aggregates. Taken together, our study shows that curcumin exerts its neuroprotective effect against Aβ induced toxicity through at least two concerted pathways, modifying the Aβ aggregation pathway toward the formation of nontoxic aggregates and ameliorating Aβ-induced toxicity possibly through a nonspecific pathway.

  8. The Alternative complex III: properties and possible mechanisms for electron transfer and energy conservation.

    Science.gov (United States)

    Refojo, Patrícia N; Teixeira, Miguel; Pereira, Manuela M

    2012-10-01

    Alternative complexes III (ACIII) are recently identified membrane-bound enzymes that replace functionally the cytochrome bc(1/)b(6)f complexes. In general, ACIII are composed of four transmembrane proteins and three peripheral subunits that contain iron-sulfur centers and C-type hemes. ACIII are built by a combination of modules present in different enzyme families, namely the complex iron-sulfur molybdenum containing enzymes. In this article a historical perspective on the investigation of ACIII is presented, followed by an overview of the present knowledge on these enzymes. Electron transfer pathways within the protein are discussed taking into account possible different locations (cytoplasmatic or periplasmatic) of the iron-sulfur containing protein and their contribution to energy conservation. In this way several hypotheses for energy conservation modes are raised including linear and bifurcating electron transfer pathways. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012). Copyright © 2012 Elsevier B.V. All rights reserved.

  9. Molecular Mechanism of Substrate Processing by the Cdc48 ATPase Complex.

    Science.gov (United States)

    Bodnar, Nicholas O; Rapoport, Tom A

    2017-05-04

    The Cdc48 ATPase and its cofactors Ufd1/Npl4 (UN) extract polyubiquitinated proteins from membranes or macromolecular complexes, but how they perform these functions is unclear. Cdc48 consists of an N-terminal domain that binds UN and two stacked hexameric ATPase rings (D1 and D2) surrounding a central pore. Here, we use purified components to elucidate how the Cdc48 complex processes substrates. After interaction of the polyubiquitin chain with UN, ATP hydrolysis by the D2 ring moves the polypeptide completely through the double ring, generating a pulling force on the substrate and causing its unfolding. ATP hydrolysis by the D1 ring is important for subsequent substrate release from the Cdc48 complex. This release requires cooperation of Cdc48 with a deubiquitinase, which trims polyubiquitin to an oligoubiquitin chain that is then also translocated through the pore. Together, these results lead to a new paradigm for the function of Cdc48 and its mammalian ortholog p97/VCP. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Structures of RNA Polymerase Closed and Intermediate Complexes Reveal Mechanisms of DNA Opening and Transcription Initiation.

    Science.gov (United States)

    Glyde, Robert; Ye, Fuzhou; Darbari, Vidya Chandran; Zhang, Nan; Buck, Martin; Zhang, Xiaodong

    2017-07-06

    Gene transcription is carried out by RNA polymerases (RNAPs). For transcription to occur, the closed promoter complex (RPc), where DNA is double stranded, must isomerize into an open promoter complex (RPo), where the DNA is melted out into a transcription bubble and the single-stranded template DNA is delivered to the RNAP active site. Using a bacterial RNAP containing the alternative σ 54 factor and cryoelectron microscopy, we determined structures of RPc and the activator-bound intermediate complex en route to RPo at 3.8 and 5.8 Å. Our structures show how RNAP-σ 54 interacts with promoter DNA to initiate the DNA distortions required for transcription bubble formation, and how the activator interacts with RPc, leading to significant conformational changes in RNAP and σ 54 that promote RPo formation. We propose that DNA melting is an active process initiated in RPc and that the RNAP conformations of intermediates are significantly different from that of RPc and RPo. Copyright © 2017 The Author(s). Published by Elsevier Inc. All rights reserved.

  11. Revealing the Differences Between Free and Complexed Enzyme Mechanisms and Factors Contributing to Cell Wall Recalcitrance

    Energy Technology Data Exchange (ETDEWEB)

    Resch, Michael G.; Donohoe, Byron; Ciesielski, Peter; Nill, Jennifer; McKinney, Kellene; Mittal, Ashutosh; Katahira, Rui; Himmel, Michael; Biddy, Mary; Beckham, Gregg; Decker, Steve

    2014-09-08

    Enzymatic depolymerization of polysaccharides is a key step in the production of fuels and chemicals from lignocellulosic biomass, and discovery of synergistic biomass-degrading enzyme paradigms will enable improved conversion processes. Historically, revealing insights into enzymatic saccharification mechanisms on plant cell walls has been hindered by uncharacterized substrates and low resolution.

  12. Mechanical behavior of zircaloy-4 tubes under complexe state of stress

    International Nuclear Information System (INIS)

    Costa Viana, C.S. da

    1980-01-01

    The use of zircaloy-4 tubing as cladding material for fuel elements is reviewed with respect to its microstructural, textural and loading conditions. Its anisotropic plastic behaviour is studied through the experimental determination of its yield locus by mechanical testing and Knoop hardness and compared to Hill's anisotropic yield criterion. (Author) [pt

  13. Mechanical and thermal properties of prepacked aggregate ...

    Indian Academy of Sciences (India)

    Hossein Mohammadhosseini

    water to acquire stable, low-energy state, and the process is accompanied by the ... great quantity of activated silica. It is a byproduct of ... temperature of the water and inner side of the concrete specimens. ..... [24] ASTM C618 2015 Standard specification for coal fly ash and ... treated ground palm oil fuel ash. Constr. Build.

  14. The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.

    Science.gov (United States)

    White, Corey J; Speelman, Amy L; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P; Alp, E Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai

    2018-02-21

    Flavodiiron nitric oxide reductases (FNORs) are a subclass of flavodiiron proteins (FDPs) capable of preferential binding and subsequent reduction of NO to N 2 O. FNORs are found in certain pathogenic bacteria, equipping them with resistance to nitrosative stress, generated as a part of the immune defense in humans, and allowing them to proliferate. Here, we report the spectroscopic characterization and detailed reactivity studies of the diiron dinitrosyl model complex [Fe 2 (BPMP)(OPr)(NO) 2 ](OTf) 2 for the FNOR active site that is capable of reducing NO to N 2 O [Zheng et al., J. Am. Chem. Soc. 2013, 135, 4902-4905]. Using UV-vis spectroscopy, cyclic voltammetry, and spectro-electrochemistry, we show that one reductive equivalent is in fact sufficient for the quantitative generation of N 2 O, following a semireduced reaction mechanism. This reaction is very efficient and produces N 2 O with a first-order rate constant k > 10 2 s -1 . Further isotope labeling studies confirm an intramolecular N-N coupling mechanism, consistent with the rapid time scale of the reduction and a very low barrier for N-N bond formation. Accordingly, the reaction proceeds at -80 °C, allowing for the direct observation of the mixed-valent product of the reaction. At higher temperatures, the initial reaction product is unstable and decays, ultimately generating the diferrous complex [Fe 2 (BPMP)(OPr) 2 ](OTf) and an unidentified ferric product. These results combined offer deep insight into the mechanism of NO reduction by the relevant model complex [Fe 2 (BPMP)(OPr)(NO) 2 ] 2+ and provide direct evidence that the semireduced mechanism would constitute a highly efficient pathway to accomplish NO reduction to N 2 O in FNORs and in synthetic catalysts.

  15. Optical network scaling: roles of spectral and spatial aggregation.

    Science.gov (United States)

    Arık, Sercan Ö; Ho, Keang-Po; Kahn, Joseph M

    2014-12-01

    As the bit rates of routed data streams exceed the throughput of single wavelength-division multiplexing channels, spectral and spatial traffic aggregation become essential for optical network scaling. These aggregation techniques reduce network routing complexity by increasing spectral efficiency to decrease the number of fibers, and by increasing switching granularity to decrease the number of switching components. Spectral aggregation yields a modest decrease in the number of fibers but a substantial decrease in the number of switching components. Spatial aggregation yields a substantial decrease in both the number of fibers and the number of switching components. To quantify routing complexity reduction, we analyze the number of multi-cast and wavelength-selective switches required in a colorless, directionless and contentionless reconfigurable optical add-drop multiplexer architecture. Traffic aggregation has two potential drawbacks: reduced routing power and increased switching component size.

  16. Interface-Based Service Composition with Aggregation

    DEFF Research Database (Denmark)

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

    2012-01-01

    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...

  17. Aggregates in monoclonal antibody manufacturing processes.

    Science.gov (United States)

    Vázquez-Rey, María; Lang, Dietmar A

    2011-07-01

    Monoclonal antibodies have proved to be a highly successful class of therapeutic products. Large-scale manufacturing of pharmaceutical antibodies is a complex activity that requires considerable effort in both process and analytical development. If a therapeutic protein cannot be stabilized adequately, it will lose partially or totally its therapeutic properties or even cause immunogenic reactions thus potentially further endangering the patients' health. The phenomenon of protein aggregation is a common issue that compromises the quality, safety, and efficacy of antibodies and can happen at different steps of the manufacturing process, including fermentation, purification, final formulation, and storage. Aggregate levels in drug substance and final drug product are a key factor when assessing quality attributes of the molecule, since aggregation might impact biological activity of the biopharmaceutical. In this review it is analyzed how aggregates are formed during monoclonal antibody industrial production, why they have to be removed and the manufacturing process steps that are designed to either minimize or remove aggregates in the final product. Copyright © 2011 Wiley Periodicals, Inc.

  18. Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.

    Science.gov (United States)

    Dohn, A O; Jónsson, E Ö; Levi, G; Mortensen, J J; Lopez-Acevedo, O; Thygesen, K S; Jacobsen, K W; Ulstrup, J; Henriksen, N E; Møller, K B; Jónsson, H

    2017-12-12

    A multiscale density functional theory-quantum mechanics/molecular mechanics (DFT-QM/MM) scheme is presented, based on an efficient electrostatic coupling between the electronic density obtained from a grid-based projector augmented wave (GPAW) implementation of density functional theory and a classical potential energy function. The scheme is implemented in a general fashion and can be used with various choices for the descriptions of the QM or MM regions. Tests on H 2 O clusters, ranging from dimer to decamer show that no systematic energy errors are introduced by the coupling that exceeds the differences in the QM and MM descriptions. Over 1 ns of liquid water, Born-Oppenheimer QM/MM molecular dynamics (MD) are sampled combining 10 parallel simulations, showing consistent liquid water structure over the QM/MM border. The method is applied in extensive parallel MD simulations of an aqueous solution of the diplatinum [Pt 2 (P 2 O 5 H 2 ) 4 ] 4- complex (PtPOP), spanning a total time period of roughly half a nanosecond. An average Pt-Pt distance deviating only 0.01 Å from experimental results, and a ground-state Pt-Pt oscillation frequency deviating by <2% from experimental results were obtained. The simulations highlight a remarkable harmonicity of the Pt-Pt oscillation, while also showing clear signs of Pt-H hydrogen bonding and directional coordination of water molecules along the Pt-Pt axis of the complex.

  19. A mechanism of leading-edge protrusion in the absence of Arp2/3 complex.

    Science.gov (United States)

    Suraneni, Praveen; Fogelson, Ben; Rubinstein, Boris; Noguera, Philippe; Volkmann, Niels; Hanein, Dorit; Mogilner, Alex; Li, Rong

    2015-03-01

    Cells employ protrusive leading edges to navigate and promote their migration in diverse physiological environments. Classical models of leading-edge protrusion rely on a treadmilling dendritic actin network that undergoes continuous assembly nucleated by the Arp2/3 complex, forming ruffling lamellipodia. Recent work demonstrated, however, that, in the absence of the Arp2/3 complex, fibroblast cells adopt a leading edge with filopodia-like protrusions (FLPs) and maintain an ability to move, albeit with altered responses to different environmental signals. We show that formin-family actin nucleators are required for the extension of FLPs but are insufficient to produce a continuous leading edge in fibroblasts lacking Arp2/3 complex. Myosin II is concentrated in arc-like regions of the leading edge in between FLPs, and its activity is required for coordinated advancement of these regions with formin-generated FLPs. We propose that actomyosin contraction acting against membrane tension advances the web of arcs between FLPs. Predictions of this model are verified experimentally. The dependence of myosin II in leading-edge advancement helps explain the previously reported defect in directional movement in the Arpc3-null fibroblasts. We provide further evidence that this defect is cell autonomous during chemotaxis. © 2015 Suraneni et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

  20. Aggregation Algorithms in Heterogeneous Tables

    Directory of Open Access Journals (Sweden)

    Titus Felix FURTUNA

    2006-01-01

    Full Text Available The heterogeneous tables are most used in the problem of aggregation. A solution for this problem is to standardize these tables of figures. In this paper, we proposed some methods of aggregation based on the hierarchical algorithms.

  1. Familial Aggregation of Insomnia.

    Science.gov (United States)

    Jarrin, Denise C; Morin, Charles M; Rochefort, Amélie; Ivers, Hans; Dauvilliers, Yves A; Savard, Josée; LeBlanc, Mélanie; Merette, Chantal

    2017-02-01

    There is little information about familial aggregation of insomnia; however, this type of information is important to (1) improve our understanding of insomnia risk factors and (2) to design more effective treatment and prevention programs. This study aimed to investigate evidence of familial aggregation of insomnia among first-degree relatives of probands with and without insomnia. Cases (n = 134) and controls (n = 145) enrolled in a larger epidemiological study were solicited to invite their first-degree relatives and spouses to complete a standardized sleep/insomnia survey. In total, 371 first-degree relatives (Mage = 51.9 years, SD = 18.0; 34.3% male) and 138 spouses (Mage = 55.5 years, SD = 12.2; 68.1% male) completed the survey assessing the nature, severity, and frequency of sleep disturbances. The dependent variable was insomnia in first-degree relatives and spouses. Familial aggregation was claimed if the risk of insomnia was significantly higher in the exposed (relatives of cases) compared to the unexposed cohort (relatives of controls). The risk of insomnia was also compared between spouses in the exposed (spouses of cases) and unexposed cohort (spouses of controls). The risk of insomnia in exposed and unexposed biological relatives was 18.6% and 10.4%, respectively, yielding a relative risk (RR) of 1.80 (p = .04) after controlling for age and sex. The risk of insomnia in exposed and unexposed spouses was 9.1% and 4.2%, respectively; however, corresponding RR of 2.13 (p = .28) did not differ significantly. Results demonstrate evidence of strong familial aggregation of insomnia. Additional research is warranted to further clarify and disentangle the relative contribution of genetic and environmental factors in insomnia. © Sleep Research Society 2016. Published by Oxford University Press on behalf of the Sleep Research Society. All rights reserved. For permissions, please e-mail journals.permissions@oup.com.

  2. Mechanisms of photoprotection and nonphotochemical quenching in pea light-harvesting complex at 2.5 Å resolution

    Science.gov (United States)

    Standfuss, Jörg; Terwisscha van Scheltinga, Anke C; Lamborghini, Matteo; Kühlbrandt, Werner

    2005-01-01

    The plant light-harvesting complex of photosystem II (LHC-II) collects and transmits solar energy for photosynthesis in chloroplast membranes and has essential roles in regulation of photosynthesis and in photoprotection. The 2.5 Å structure of pea LHC-II determined by X-ray crystallography of stacked two-dimensional crystals shows how membranes interact to form chloroplast grana, and reveals the mutual arrangement of 42 chlorophylls a and b, 12 carotenoids and six lipids in the LHC-II trimer. Spectral assignment of individual chlorophylls indicates the flow of energy in the complex and the mechanism of photoprotection in two close chlorophyll a–lutein pairs. We propose a simple mechanism for the xanthophyll-related, slow component of nonphotochemical quenching in LHC-II, by which excess energy is transferred to a zeaxanthin replacing violaxanthin in its binding site, and dissipated as heat. Our structure shows the complex in a quenched state, which may be relevant for the rapid, pH-induced component of nonphotochemical quenching. PMID:15719016

  3. Mechanisms of photoprotection and nonphotochemical quenching in pea light-harvesting complex at 2.5 A resolution.

    Science.gov (United States)

    Standfuss, Jörg; Terwisscha van Scheltinga, Anke C; Lamborghini, Matteo; Kühlbrandt, Werner

    2005-03-09

    The plant light-harvesting complex of photosystem II (LHC-II) collects and transmits solar energy for photosynthesis in chloroplast membranes and has essential roles in regulation of photosynthesis and in photoprotection. The 2.5 A structure of pea LHC-II determined by X-ray crystallography of stacked two-dimensional crystals shows how membranes interact to form chloroplast grana, and reveals the mutual arrangement of 42 chlorophylls a and b, 12 carotenoids and six lipids in the LHC-II trimer. Spectral assignment of individual chlorophylls indicates the flow of energy in the complex and the mechanism of photoprotection in two close chlorophyll a-lutein pairs. We propose a simple mechanism for the xanthophyll-related, slow component of nonphotochemical quenching in LHC-II, by which excess energy is transferred to a zeaxanthin replacing violaxanthin in its binding site, and dissipated as heat. Our structure shows the complex in a quenched state, which may be relevant for the rapid, pH-induced component of nonphotochemical quenching.

  4. Quantum Mechanics, Path Integrals and Option Pricing: Reducing the Complexity of Finance

    OpenAIRE

    Baaquie, Belal E.; Coriano, Claudio; Srikant, Marakani

    2002-01-01

    Quantum Finance represents the synthesis of the techniques of quantum theory (quantum mechanics and quantum field theory) to theoretical and applied finance. After a brief overview of the connection between these fields, we illustrate some of the methods of lattice simulations of path integrals for the pricing of options. The ideas are sketched out for simple models, such as the Black-Scholes model, where analytical and numerical results are compared. Application of the method to nonlinear sy...

  5. Research on Design and Simulation of Biaxial Tensile-Bending Complex Mechanical Performance Test Apparatus

    Directory of Open Access Journals (Sweden)

    Hailian Li

    2017-09-01

    Full Text Available In order to realize a micro-mechanic performance test of biaxial tensile-bending-combined loading and solve the problem of incompatibility of test apparatus and observation apparatus, novel biaxial-combined tensile-bending micro-mechanical performance test apparatus was designed. The working principle and major functions of key constituent parts of test apparatus, including the servo drive unit, clamping unit and test system, were introduced. Based on the finite element method, biaxial tensile and tension-bending-combined mechanical performances of the test-piece were studied as guidance to learn the distribution of elastic deformation and plastic deformation of all sites of the test-piece and to better plan test regions. Finally, this test apparatus was used to conduct a biaxial tensile test under different pre-bending loading and a tensile test at different rates; the image of the fracture of the test-piece was acquired by a scanning electron microscope and analyzed. It was indicated that as the pre-bending force rises, the elastic deformation phase would gradually shorten and the slope of the elastic deformation phase curve would slightly rise so that a yield limit would appear ahead of time. Bending speed could exert a positive and beneficial influence on tensile strength but weaken fracture elongation. If bending speed is appropriately raised, more ideal anti-tensile strength could be obtained, but fracture elongation would decline.

  6. Microstructural characterization of concrete prepared with recycled aggregates.

    Science.gov (United States)

    Guedes, Mafalda; Evangelista, Luís; de Brito, Jorge; Ferro, Alberto C

    2013-10-01

    Several authors have reported the workability, mechanical properties, and durability of concrete produced with construction waste replacing the natural aggregate. However, a systematic microstructural characterization of recycled aggregate concrete has not been reported. This work studies the use of fine recycled aggregate to replace fine natural aggregate in the production of concrete and reports the resulting microstructures. The used raw materials were natural aggregate, recycled aggregate obtained from a standard concrete, and Portland cement. The substitution extent was 0, 10, 50, and 100 vol%; hydration was stopped at 9, 24, and 96 h and 28 days. Microscopy was focused on the cement/aggregate interfacial transition zone, enlightening the effect of incorporating recycled aggregate on the formation and morphology of the different concrete hydration products. The results show that concretes with recycled aggregates exhibit typical microstructural features of the transition zone in normal strength concrete. Although overall porosity increases with increasing replacement, the interfacial bond is apparently stronger when recycled aggregates are used. An addition of 10 vol% results in a decrease in porosity at the interface with a corresponding increase of the material hardness. This provides an opportunity for development of increased strength Portland cement concretes using controlled amounts of concrete waste.

  7. Sequence dependent aggregation of peptides and fibril formation

    Science.gov (United States)

    Hung, Nguyen Ba; Le, Duy-Manh; Hoang, Trinh X.

    2017-09-01

    Deciphering the links between amino acid sequence and amyloid fibril formation is key for understanding protein misfolding diseases. Here we use Monte Carlo simulations to study the aggregation of short peptides in a coarse-grained model with hydrophobic-polar (HP) amino acid sequences and correlated side chain orientations for hydrophobic contacts. A significant heterogeneity is observed in the aggregate structures and in the thermodynamics of aggregation for systems of different HP sequences and different numbers of peptides. Fibril-like ordered aggregates are found for several sequences that contain the common HPH pattern, while other sequences may form helix bundles or disordered aggregates. A wide variation of the aggregation transition temperatures among sequences, even among those of the same hydrophobic fraction, indicates that not all sequences undergo aggregation at a presumable physiological temperature. The transition is found to be the most cooperative for sequences forming fibril-like structures. For a fibril-prone sequence, it is shown that fibril formation follows the nucleation and growth mechanism. Interestingly, a binary mixture of peptides of an aggregation-prone and a non-aggregation-prone sequence shows the association and conversion of the latter to the fibrillar structure. Our study highlights the role of a sequence in selecting fibril-like aggregates and also the impact of a structural template on fibril formation by peptides of unrelated sequences.

  8. Silt-clay aggregates on Mars

    International Nuclear Information System (INIS)

    Greeley, R.

    1979-01-01

    Viking observations suggest abundant silt and clay particles on Mars. It is proposed that some of these particles agglomerate to form sand size aggregates that are redeposited as sandlike features such as drifts and dunes. Although the binding for the aggregates could include salt cementation or other mechanisms, electrostatic bonding is considered to be a primary force holding the aggregates together. Various laboratory experiments conducted since the 19th century, and as reported here for simulated Martian conditions, show that both the magnitude and sign of electrical charges on windblown particles are functions of particle velocity, shape and composition, atmospheric pressure, atmospheric composition, and other factors. Electrical charges have been measured for saltating particles in the wind tunnel and in the field, on the surfaces of sand dunes, and within dust clouds on earth. Similar, and perhaps even greater, charges are proposed to occur on Mars, which could form aggregates of silt and clay size particles. Electrification is proposed to occur within Martian dust clouds, generating silt-clay aggregates which would settle to the surface where they may be deposited in the form of sandlike structures. By analog, silt-clay dunes are known in many parts of the earth where silt-clay aggregated were transported by saltation and deposited as 'sand.' In these structures the binding forces were later destroyed, and the particles reassumed the physical properties of silt and clay, but the sandlike bedding structure within the 'dunes' was preserved. The bedding observed in drifts at the Viking landing site is suggested to result from a similar process involving silt-clay aggregates on Mars

  9. Mechanically-induced solvent-less synthesis of cobalt and nickel complexes of cimetidine

    Directory of Open Access Journals (Sweden)

    Adedibu Clement Tella

    2011-09-01

    Full Text Available Solvent-less synthesis of [Co(CIM2](SO4 and [Ni(CIM2](OAC2 by grinding of CoSO4 and Ni(CH3COO2.4H2O with cimetidine without any solvent is described. The complexes have been characterized by elemental analysis, melting point, AAS, conductivity measurements, TLC, infrared and UV-Vis spectroscopies as well as X-ray powder diffraction. Cimetidine was found to be bidentate or tridentate ligand. Cobalt ion coordinate with cimetidine through the sulphur atom in the thiol group, nitrogen atom of imidazole ring and the nitrogen atom of the secondary amine to give an octahedral geometry with ligand acting as tridentate whereas nickel ion coordinates through the sulphur atom in the thiol group, nitrogen atom of imidazole ring to give tetrahedral structure with ligand acting as bidentate. X-Ray diffraction patterns of the complex were different from that of the ligand suggesting formation of coordination compounds. The method is quick and gives a quantatively yield, without the need for solvents or external heating. Clearly, it can present higher efficiency in terms of materials, energy and time compared to classical solution phase synthesis.

  10. Effect of shape and surface texture of aggregates during high intensity vertical shaft impact autogeneous crushing

    International Nuclear Information System (INIS)

    Samayamutthirian Palaniandy; Khairun Azizi Mohd Azizli

    2002-01-01

    The demand for quarry industry to produce high quality aggregates is increasing parallel with the demand of high strength concrete. Focus on the high quality aggregates production is very essential as 70% of the concrete consist of aggregates. High quality aggregate is characterised according to its shape, surface texture and its size distribution. The cubical and more equidimensional aggregates are characterised as high quality aggregates. Besides photomicrograph of aggregates, Flakiness and Elongation indices are important empirical measurements to determine the quality of the aggregates. The Barmac Rock On Rock Vertical Shaft Impactor proved that the shape of the aggregates can be improved by various crushing mechanisms as the EI and FI values were low and 75% of the cubical particles were observed in the crushed aggregates. (Author)

  11. The Effects of Different Fine Recycled Concrete Aggregates on the Properties of Mortar

    Science.gov (United States)

    Fan, Cheng-Chih; Huang, Ran; Hwang, Howard; Chao, Sao-Jeng

    2015-01-01

    The practical use of recycled concrete aggregate produced by crushing concrete waste reduces the consumption of natural aggregate and the amount of concrete waste that ends up in landfills. This study investigated two methods used in the production of fine recycled concrete aggregate: (1) a method that produces fine as well as coarse aggregate, and (2) a method that produces only fine aggregate. Mortar specimens were tested using a variety of mix proportions to determine how the characteristics of fine recycled concrete aggregate affect the physical and mechanical properties of the resulting mortars. Our results demonstrate the superiority of mortar produced using aggregate produced using the second of the two methods. Nonetheless, far more energy is required to render concrete into fine aggregate than is required to produce coarse as well as fine aggregate simultaneously. Thus, the performance benefits of using only fine recycled concrete aggregate must be balanced against the increased impact on the environment.

  12. Development of advanced, non-toxic, synthetic radiation shielding aggregate

    Energy Technology Data Exchange (ETDEWEB)

    Mudgal, Manish; Chouhan, Ramesh Kumar; Verma, Sarika; Amritphale, Sudhir Sitaram; Das, Satyabrata [CSIR-Advanced Materials and Processes Research Institute, Bhopal (India); Shrivastva, Arvind [Nuclear Power Corporation of India Ltd. (NPCIL), Mumbai (India)

    2018-04-01

    For the first time in the world, the capability of red mud waste has been explored for the development of advanced synthetic radiation shielding aggregate. Red mud, an aluminium industry waste consists of multi component, multi elemental characteristics. In this study, red mud from two different sources have been utilized. Chemical formulation and mineralogical designing of the red mud has been done by ceramic processing using appropriate reducing agent and additives. The chemical analysis, SEM microphotographs and XRD analysis confirms the presence of multi-component, multi shielding and multi-layered phases in both the different developed advance synthetic radiation shielding aggregate. The mechanical properties, namely aggregate impact value, aggregate crushing value and aggregate abrasion value have also been evaluated and was compared with hematite ore aggregate and found to be an excellent material useful for making advanced radiation shielding concrete for the construction of nuclear power plants and other radiation installations.

  13. Cellular Handling of Protein Aggregates by Disaggregation Machines.

    Science.gov (United States)

    Mogk, Axel; Bukau, Bernd; Kampinga, Harm H

    2018-01-18

    Both acute proteotoxic stresses that unfold proteins and expression of disease-causing mutant proteins that expose aggregation-prone regions can promote protein aggregation. Protein aggregates can interfere with cellular processes and deplete factors crucial for protein homeostasis. To cope with these challenges, cells are equipped with diverse folding and degradation activities to rescue or eliminate aggregated proteins. Here, we review the different chaperone disaggregation machines and their mechanisms of action. In all these machines, the coating of protein aggregates by Hsp70 chaperones represents the conserved, initializing step. In bacteria, fungi, and plants, Hsp70 recruits and activates Hsp100 disaggregases to extract aggregated proteins. In the cytosol of metazoa, Hsp70 is empowered by a specific cast of J-protein and Hsp110 co-chaperones allowing for standalone disaggregation activity. Both types of disaggregation machines are supported by small Hsps that sequester misfolded proteins. Copyright © 2018 Elsevier Inc. All rights reserved.

  14. Contribution of ankyrin-band 3 complexes to the organization and mechanical properties of the membrane skeleton of human erythrocyte

    Energy Technology Data Exchange (ETDEWEB)

    Shen, B.W. [Argonne National Lab., IL (United States). Biological and Medical Research Div.

    1995-02-01

    To understand the role of ankyrin-band 3 complexes in the organization of the spectrin-based membrane skeleton and its contribution to the mechanical properties of human erythrocytes, intact skeletons and single-layered skeleton leaflets were prepared from intact and physically sheared membrane ghosts, expanded in low salt buffer, and examined by transmission electron microscopy. While the structures of intact skeletons and single-layered skeleton leaflets shared many common features, including rigid junctional complexes of spectrin, actin, and band 4.1; short stretches ({approximately}50 {angstrom}) of flexible spectrin filaments; and globular masses of ankyrin-band 3 complexes situated close to the middle of the spectrin filaments, the definition of structural units in the intact skeleton is obscured by the superposition of the two layers. However, the spatial disposition of structural elements can be clearly defined in the images of the single-layered skeleton leaflets. Partially expanded skeletal leaflets contain conglomerates of ankyrin-band 3 complexes arranged in a circular or clove-leaf configuration that straddles multiple strands of thick spectrin cables, presumably reflecting the association of ankyrin-band 3 complexes on neighboring spectrin tetramers as well as the lateral association of the spectrin filaments. Hyperexpansion of the skeleton leaflets led to dissociation of the conglomerates of ankyrin-band 3 complexes, full-extension of the spectrin tetramers, and separation of the individual strands of spectrin tetramers. Clearly defined stands of spectrin tetramers in the hyperexpanded single-layered skeletal leaflets often contained two sets of globular protein masses that divided the spectrin tetramers into three segments of approximately equal length.

  15. Oxygen Atom Exchange between H2O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism.

    Science.gov (United States)

    Puri, Mayank; Company, Anna; Sabenya, Gerard; Costas, Miquel; Que, Lawrence

    2016-06-20

    Detailed studies of oxygen atom exchange (OAE) between H2(18)O and synthetic non-heme oxoiron(IV) complexes supported by tetradentate and pentadentate ligands provide evidence that they proceed by a common mechanism but within two different kinetic regimes, with OAE rates that span 2 orders of magnitude. The first kinetic regime involves initial reversible water association to the Fe(IV) complex, which is evidenced by OAE rates that are linearly dependent on [H2(18)O] and H2O/D2O KIEs of 1.6, while the second kinetic regime involves a subsequent rate determining proton-transfer step between the bound aqua and oxo ligands that is associated with saturation behavior with [H2(18)O] and much larger H2O/D2O KIEs of 5-6. [Fe(IV)(O)(TMC)(MeCN)](2+) (1) and [Fe(IV)(O)(MePy2TACN)](2+) (9) are examples of complexes that exhibit kinetic behavior in the first regime, while [Fe(IV)(O)(N4Py)](2+) (3), [Fe(IV)(O)(BnTPEN)](2+) (4), [Fe(IV)(O)(1Py-BnTPEN)](2+) (5), [Fe(IV)(O)(3Py-BnTPEN)](2+) (6), and [Fe(IV)(O)(Me2Py2TACN)](2+) (8) represent complexes that fall in the second kinetic regime. Interestingly, [Fe(IV)(O)(PyTACN)(MeCN)](2+) (7) exhibits a linear [H2(18)O] dependence below 0.6 M and saturation above 0.6 M. Analysis of the temperature dependence of the OAE rates shows that most of these complexes exhibit large and negative activation entropies, consistent with the proposed mechanism. One exception is complex 9, which has a near-zero activation entropy and is proposed to undergo ligand-arm dissociation during the RDS to accommodate H2(18)O binding. These results show that the observed OAE kinetic behavior is highly dependent on the nature of the supporting ligand and are of relevance to studies of non-heme oxoiron(IV) complexes in water or acetonitrile/water mixtures for applications in photocatalysis and water oxidation chemistry.

  16. Aggregation kinetics and structure of cryoimmunoglobulins clusters

    CERN Document Server

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

    2002-01-01

    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 ...

  17. Proteins aggregation and human diseases

    Science.gov (United States)

    Hu, Chin-Kun

    2015-04-01

    Many human diseases and the death of most supercentenarians are related to protein aggregation. Neurodegenerative diseases include Alzheimer's disease (AD), Huntington's disease (HD), Parkinson's disease (PD), frontotemporallobar degeneration, etc. Such diseases are due to progressive loss of structure or function of neurons caused by protein aggregation. For example, AD is considered to be related to aggregation of Aβ40 (peptide with 40 amino acids) and Aβ42 (peptide with 42 amino acids) and HD is considered to be related to aggregation of polyQ (polyglutamine) peptides. In this paper, we briefly review our recent discovery of key factors for protein aggregation. We used a lattice model to study the aggregation rates of proteins and found that the probability for a protein sequence to appear in the conformation of the aggregated state can be used to determine the temperature at which proteins can aggregate most quickly. We used molecular dynamics and simple models of polymer chains to study relaxation and aggregation of proteins under various conditions and found that when the bending-angle dependent and torsion-angle dependent interactions are zero or very small, then protein chains tend to aggregate at lower temperatures. All atom models were used to identify a key peptide chain for the aggregation of insulin chains and to find that two polyQ chains prefer anti-parallel conformation. It is pointed out that in many cases, protein aggregation does not result from protein mis-folding. A potential drug from Chinese medicine was found for Alzheimer's disease.

  18. A mechanism for vertebrate Hedgehog signaling: recruitment to cilia and dissociation of SuFu-Gli protein complexes.

    Science.gov (United States)

    Tukachinsky, Hanna; Lopez, Lyle V; Salic, Adrian

    2010-10-18

    In vertebrates, Hedgehog (Hh) signaling initiated in primary cilia activates the membrane protein Smoothened (Smo) and leads to activation of Gli proteins, the transcriptional effectors of the pathway. In the absence of signaling, Gli proteins are inhibited by the cytoplasmic protein Suppressor of Fused (SuFu). It is unclear how Hh activates Gli and whether it directly regulates SuFu. We find that Hh stimulation quickly recruits endogenous SuFu-Gli complexes to cilia, suggesting a model in which Smo activates Gli by relieving inhibition by SuFu. In support of this model, we find that Hh causes rapid dissociation of the SuFu-Gli complex, thus allowing Gli to enter the nucleus and activate transcription. Activation of protein kinase A (PKA), an inhibitor of Hh signaling, blocks ciliary localization of SuFu-Gli complexes, which in turn prevents their dissociation by signaling. Our results support a simple mechanism in which Hh signals at vertebrate cilia cause dissociation of inactive SuFu-Gli complexes, a process inhibited by PKA.

  19. A mechanism for vertebrate Hedgehog signaling: recruitment to cilia and dissociation of SuFu–Gli protein complexes

    Science.gov (United States)

    Tukachinsky, Hanna; Lopez, Lyle V.

    2010-01-01

    In vertebrates, Hedgehog (Hh) signaling initiated in primary cilia activates the membrane protein Smoothened (Smo) and leads to activation of Gli proteins, the transcriptional effectors of the pathway. In the absence of signaling, Gli proteins are inhibited by the cytoplasmic protein Suppressor of Fused (SuFu). It is unclear how Hh activates Gli and whether it directly regulates SuFu. We find that Hh stimulation quickly recruits endogenous SuFu–Gli complexes to cilia, suggesting a model in which Smo activates Gli by relieving inhibition by SuFu. In support of this model, we find that Hh causes rapid dissociation of the SuFu–Gli complex, thus allowing Gli to enter the nucleus and activate transcription. Activation of protein kinase A (PKA), an inhibitor of Hh signaling, blocks ciliary localization of SuFu–Gli complexes, which in turn prevents their dissociation by signaling. Our results support a simple mechanism in which Hh signals at vertebrate cilia cause dissociation of inactive SuFu–Gli complexes, a process inhibited by PKA. PMID:20956384

  20. A study on axial and torsional resonant mode matching for a mechanical system with complex nonlinear geometries

    Science.gov (United States)

    Watson, Brett; Yeo, Leslie; Friend, James

    2010-06-01

    Making use of mechanical resonance has many benefits for the design of microscale devices. A key to successfully incorporating this phenomenon in the design of a device is to understand how the resonant frequencies of interest are affected by changes to the geometric parameters of the design. For simple geometric shapes, this is quite easy, but for complex nonlinear designs, it becomes significantly more complex. In this paper, two novel modeling techniques are demonstrated to extract the axial and torsional resonant frequencies of a complex nonlinear geometry. The first decomposes the complex geometry into easy to model components, while the second uses scaling techniques combined with the finite element method. Both models overcome problems associated with using current analytical methods as design tools, and enable a full investigation of how changes in the geometric parameters affect the resonant frequencies of interest. The benefit of such models is then demonstrated through their use in the design of a prototype piezoelectric ultrasonic resonant micromotor which has improved performance characteristics over previous prototypes.

  1. Automatic analysis and reduction of reaction mechanisms for complex fuel combustion

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Daniel

    2001-05-01

    This work concentrates on automatic procedures for simplifying chemical models for realistic fuels using skeletal mechanism construction and Quasi Steady-State Approximation (QSSA) applied to detailed reaction mechanisms. To automate the selection of species for removal or approximation, different indices for species ranking have thus been proposed. Reaction flow rates are combined with sensitivity information for targeting a certain quantity, and used to determine a level of redundancy for automatic skeletal mechanism construction by exclusion of redundant species. For QSSA reduction, a measure of species lifetime can be used for species ranking as-is, weighted by concentrations or molecular transport timescales, and/or combined with species sensitivity. Maximum values of the indices are accumulated over ranges of parameters, (e.g. fuel-air ratio and octane number), and species with low accumulated index values are selected for removal or steady-state approximation. In the case of QSSA, a model with a certain degree of reduction is automatically implemented as FORTRAN code by setting a certain index limit. The code calculates source terms of explicitly handled species from reaction rates and the steady-state concentrations by internal iteration. Homogeneous-reactor and one-dimensional laminar-flame models were used as test cases. A staged combustor fuelled by ethylene with monomethylamine addition is modelled by two homogeneous reactors in sequence, i.e. a PSR (Perfectly Stirred Reactor) followed by a PFR (Plug Flow Reactor). A modified PFR model was applied for simulation of a Homogeneous Charge Compression Ignition (HCCI) engine fuelled with four-component natural gas, whereas a two-zone model was required for a knocking Spark Ignition (SI) engine powered by Primary Reference Fuel (PRF). Finally, a laminar one-dimensional model was used to simulate premixed flames burning methane and an aeroturbine kerosene surrogate consisting of n-decane and toluene. In

  2. Crystal structure of a TAPBPR–MHC I complex reveals the mechanism of peptide editing in antigen presentation

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Jiansheng; Natarajan, Kannan; Boyd, Lisa F.; Morozov, Giora I.; Mage, Michael G.; Margulies, David H. (NIH); (Hebrew)

    2017-10-12

    Central to CD8+ T cell–mediated immunity is the recognition of peptide–major histocompatibility complex class I (p–MHC I) proteins displayed by antigen-presenting cells. Chaperone-mediated loading of high-affinity peptides onto MHC I is a key step in the MHC I antigen presentation pathway. However, the structure of MHC I with a chaperone that facilitates peptide loading has not been determined. We report the crystal structure of MHC I in complex with the peptide editor TAPBPR (TAP-binding protein–related), a tapasin homolog. TAPBPR remodels the peptide-binding groove of MHC I, resulting in the release of low-affinity peptide. Changes include groove relaxation, modifications of key binding pockets, and domain adjustments. This structure captures a peptide-receptive state of MHC I and provides insights into the mechanism of peptide editing by TAPBPR and, by analogy, tapasin.

  3. New Insights Into the Mechanisms and Biological Roles of D-Amino Acids in Complex Eco-Systems

    Science.gov (United States)

    Aliashkevich, Alena; Alvarez, Laura; Cava, Felipe

    2018-01-01

    In the environment bacteria share their habitat with a great diversity of organisms, from microbes to humans, animals and plants. In these complex communities, the production of extracellular effectors is a common strategy to control the biodiversity by interfering with the growth and/or viability of nearby microbes. One of such effectors relies on the production and release of extracellular D-amino acids which regulate diverse cellular processes such as cell wall biogenesis, biofilm integrity, and spore germination. Non-canonical D-amino acids are mainly produced by broad spectrum racemases (Bsr). Bsr’s promiscuity allows it to generate high concentrations of D-amino acids in environments with variable compositions of L-amino acids. However, it was not clear until recent whether these molecules exhibit divergent functions. Here we review the distinctive biological roles of D-amino acids, their mechanisms of action and their modulatory properties of the biodiversity of complex eco-systems. PMID:29681896

  4. Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.

    Science.gov (United States)

    He, Hongzhen; Ding, Yi; Bartlam, Mark; Sun, Fei; Le, Yi; Qin, Xincheng; Tang, Hong; Zhang, Rongguang; Joachimiak, Andrzej; Liu, Jinyuan; Zhao, Nanming; Rao, Zihe

    2003-01-31

    Tabtoxin resistance protein (TTR) is an enzyme that renders tabtoxin-producing pathogens, such as Pseudomonas syringae, tolerant to their own phytotoxins. Here, we report the crystal structure of TTR complexed with its natural cofactor, acetyl coenzyme A (AcCoA), to 1.55A resolution. The binary complex forms a characteristic "V" shape for substrate binding and contains the four motifs conserved in the GCN5-related N-acetyltransferase (GNAT) superfamily, which also includes the histone acetyltransferases (HATs). A single-step mechanism is proposed to explain the function of three conserved residues, Glu92, Asp130 and Tyr141, in catalyzing the acetyl group transfer to its substrate. We also report that TTR possesses HAT activity and suggest an evolutionary relationship between TTR and other GNAT members.

  5. Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for {beta}-lactam acetylation.

    Energy Technology Data Exchange (ETDEWEB)

    He, H.; Ding, Y.; Bartlam, M.; Sun, F.; Le, Y.; Qin, X.; Tang, H.; Zhang, R.; Joachimiak, A.; Liu, J.; Zhao, N.; Rao, Z.; Biosciences Division; Tsinghua Univ.; Chinese Academy of Science

    2003-01-31

    Tabtoxin resistance protein (TTR) is an enzyme that renders tabtoxin-producing pathogens, such as Pseudomonas syringae, tolerant to their own phytotoxins. Here, we report the crystal structure of TTR complexed with its natural cofactor, acetyl coenzyme A (AcCoA), to 1.55 {angstrom} resolution. The binary complex forms a characteristic 'V' shape for substrate binding and contains the four motifs conserved in the GCN5-related N-acetyltransferase (GNAT) superfamily, which also includes the histone acetyltransferases (HATs). A single-step mechanism is proposed to explain the function of three conserved residues, Glu92, Asp130 and Tyr141, in catalyzing the acetyl group transfer to its substrate. We also report that TTR possesses HAT activity and suggest an evolutionary relationship between TTR and other GNAT members.

  6. Complex source mechanisms of mining-induced seismic events - implications for surface effects

    Science.gov (United States)

    Orlecka-Sikora, B.; Cesca, S.; Lasocki, S.; Rudzinski, L.; Lizurek, L.; Wiejacz, P.; Urban, P.; kozlowska, M.

    2012-04-01

    The seismicity of Legnica-Głogów Copper District (LGCD) is induced by mining activities in three mines: Lubin, Rudna and Polkowice-Sieroszowice. Ground motion caused by strong tremors might affect local infrastructure. "Żelazny Most" tailings pond, the biggest structure of this type in Europe, is here under special concern. Due to surface objects protection, Rudna Mine has been running ground motion monitoring for several years. From June 2010 to June 2011 unusually strong and extensive surface impact has been observed for 6 mining tremors induced in one of Rudna mining sections. The observed peak ground acceleration (PGA) for both horizontal and vertical component were in or even beyond 99% confidence interval for prediction. The aim of this paper is analyze the reason of such unusual ground motion. On the basis of registrations from Rudna Mine mining seismological network and records from Polish Seismological Network held by the Institute of Geophysics Polish Academy of Sciences (IGF PAN), the source mechanisms of these 6 tremors were calculated using a time domain moment tensor inversion. Furthermore, a kinematic analysis of the seismic source was performed, in order to determine the rupture planes orientations and rupture directions. These results showed that in case of the investigated tremors, point source models and shear fault mechanisms, which are most often assumed in mining seismology, are invalid. All analyzed events indicate extended sources with non-shear mechanism. The rapture planes have small dip angles and the rupture starts at the tremors hypocenter and propagates in the direction opposite to the plane dip. The tensional component plays here also big role. These source mechanisms well explain such observed strong ground motion, and calculated synthetic PGA values well correlates with observed ones. The relationship between mining tremors were also under investigation. All subsequent tremors occurred in the area of increased stress due to

  7. The Panitumumab EGFR Complex Reveals a Binding Mechanism That Overcomes Cetuximab Induced Resistance.

    Directory of Open Access Journals (Sweden)

    E Allen Sickmier

    Full Text Available Panitumumab and cetuximab target the epidermal growth factor receptor for the treatment of metastatic colorectal cancer. These therapies provide a significant survival benefit to patients with metastatic colorectal cancer with wild-type RAS. A single point mutation in the ectodomain of EGFR (S468R confers acquired or secondary resistance in cetuximab treated patients, which is not observed in panitumumab-treated patients. Structural and biophysical studies presented here show this mutation directly blocks cetuximab binding to EGFR domain III and describes a unique mechanism by which panitumumab uses a central cavity to accommodate this mutation.

  8. Three-dimensional elastic--plastic stress and strain analyses for fracture mechanics: complex geometries

    International Nuclear Information System (INIS)

    Bellucci, H.J.

    1975-11-01

    The report describes the continuation of research into capability for three-dimensional elastic-plastic stress and strain analysis for fracture mechanics. A computer program, MARC-3D, has been completed and was used to analyze a cylindrical pressure vessel with a nozzle insert. A method for generating crack tip elements was developed and a model was created for a cylindrical pressure vessel with a nozzle and an imbedded flaw at the inside nozzle corner. The MARC-3D program was again used to analyze this flawed model. Documentation for the use of the MARC-3D computer program has been included as an appendix

  9. Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation

    Energy Technology Data Exchange (ETDEWEB)

    Musille, Paul M; Pathak, Manish C; Lauer, Janelle L; Hudson, William H; Griffin, Patrick R; Ortlund, Eric A [Emory-MED; (Scripps)

    2013-01-31

    The human nuclear receptor liver receptor homolog-1 (LRH-1) has an important role in controlling lipid and cholesterol homeostasis and is a potential target for the treatment of diabetes and hepatic diseases. LRH-1 is known to bind phospholipids, but the role of phospholipids in controlling LRH-1 activation remains highly debated. Here we describe the structure of both apo LRH-1 and LRH-1 in complex with the antidiabetic phospholipid dilauroylphosphatidylcholine (DLPC). Together with hydrogen-deuterium exchange MS and functional data, our studies show that DLPC binding is a dynamic process that alters co-regulator selectivity. We show that the lipid-free receptor undergoes previously unrecognized structural fluctuations, allowing it to interact with widely expressed co-repressors. These observations enhance our understanding of LRH-1 regulation and highlight its importance as a new therapeutic target for controlling diabetes.

  10. Dissecting mechanisms of nuclear mRNA surveillance in THO/sub2 complex mutants

    DEFF Research Database (Denmark)

    Rougemaille, Mathieu; Gudipati, Rajani K; Olesen, Jens Raabjerg

    2007-01-01

    The nuclear exosome is involved in numerous RNA metabolic processes. Exosome degradation of rRNA, snoRNA, snRNA and tRNA in Saccharomyces cerevisiae is activated by TRAMP complexes, containing either the Trf4p or Trf5p poly(A) polymerase. These enzymes are presumed to facilitate exosome access...... is required for both retention and degradation of nuclear restricted mRNAs. We show here that Trf4p, in the context of TRAMP, is an mRNA surveillance factor. However, unlike Rrp6p, Trf4p only partakes in RNA degradation and not in transcript retention. Surprisingly, a polyadenylation-defective Trf4p protein...

  11. Assessment of creation prospects of the effective economic stimulation mechanism of ecologically sustainable oil and gas complex development

    Directory of Open Access Journals (Sweden)

    Sheveleva Anastasia, V.

    2015-12-01

    Full Text Available Negative anthropogenous impact on environment is now felt especially sharply and gains global character that can lead to economic and ecological collapse, eventually. One of the most large-scale subjects of the economic environment doing harm to environment are the enterprises of an oil and gas complex as they in large volumes throw out the polluting substances and in high volumes take natural resources. However the field of activity of such enterprises is priority for national economy, and difficult interchangeability of energy raw material resources demands from the state and the oil and gas enterprises of development within realization of complete branch ecological-economic policy of the economic mechanism of stimulation of ecologically sustainable development of an oil and gas complex. Experience of last years within regulation and stimulation of decrease in pollution shows that the most effective way of achievement of it is implementation of serious capital investments in introduction of the environmentally friendly technologies in production allowing to receive a smaller stream of pollution "at the exit" a production system, and also a recycling of resources that can be provided by introduction in practice of work of the company of the best available technologies. Problems of ecologically sustainable development will also be answered by problems of economy not only in production and power, but also in power - a consumer sector for what it is necessary to provide compliance of the technologies used in extracting and processing the energy sectors, with technologies of economy of energy in a consumer sector. In the paper in this regard much attention is paid to possibility of formation of such economic mechanism via the public-private partnership mechanism that means that ecological-economic strategy of development of the enterprises of an oil and gas complex have to be coordinated with power strategy of development of regions and the

  12. Fetal Alcohol Spectrum Disorder (FASD) Associated Neural Defects: Complex Mechanisms and Potential Therapeutic Targets.

    Science.gov (United States)

    Muralidharan, Pooja; Sarmah, Swapnalee; Zhou, Feng C; Marrs, James A

    2013-06-19

    Fetal alcohol spectrum disorder (FASD), caused by prenatal alcohol exposure, can result in craniofacial dysmorphism, cognitive impairment, sensory and motor disabilities among other defects. FASD incidences are as high as 2% to 5 % children born in the US, and prevalence is higher in low socioeconomic populations. Despite various mechanisms being proposed to explain the etiology of FASD, the molecular targets of ethanol toxicity during development are unknown. Proposed mechanisms include cell death, cell signaling defects and gene expression changes. More recently, the involvement of several other molecular pathways was explored, including non-coding RNA, epigenetic changes and specific vitamin deficiencies. These various pathways may interact, producing a wide spectrum of consequences. Detailed understanding of these various pathways and their interactions will facilitate the therapeutic target identification, leading to new clinical intervention, which may reduce the incidence and severity of these highly prevalent preventable birth defects. This review discusses manifestations of alcohol exposure on the developing central nervous system, including the neural crest cells and sensory neural placodes, focusing on molecular neurodevelopmental pathways as possible therapeutic targets for prevention or protection.

  13. Fetal Alcohol Spectrum Disorder (FASD Associated Neural Defects: Complex Mechanisms and Potential Therapeutic Targets

    Directory of Open Access Journals (Sweden)

    James A. Marrs

    2013-06-01

    Full Text Available Fetal alcohol spectrum disorder (FASD, caused by prenatal alcohol exposure, can result in craniofacial dysmorphism, cognitive impairment, sensory and motor disabilities among other defects. FASD incidences are as high as 2% to 5 % children born in the US, and prevalence is higher in low socioeconomic populations. Despite various mechanisms being proposed to explain the etiology of FASD, the molecular targets of ethanol toxicity during development are unknown. Proposed mechanisms include cell death, cell signaling defects and gene expression changes. More recently, the involvement of several other molecular pathways was explored, including non-coding RNA, epigenetic changes and specific vitamin deficiencies. These various pathways may interact, producing a wide spectrum of consequences. Detailed understanding of these various pathways and their interactions will facilitate the therapeutic target identification, leading to new clinical intervention, which may reduce the incidence and severity of these highly prevalent preventable birth defects. This review discusses manifestations of alcohol exposure on the developing central nervous system, including the neural crest cells and sensory neural placodes, focusing on molecular neurodevelopmental pathways as possible therapeutic targets for prevention or protection.

  14. Sustainable normal and high strength recycled aggregate concretes using crushed tested cylinders as coarse aggregates

    Directory of Open Access Journals (Sweden)

    Bilal S. Hamad

    2017-12-01

    Full Text Available The paper reports on a research program that was designed at the American University of Beirut (AUB to investigate the fresh and hardened mechanical properties of a high performance concrete mix produced with partial or full substitution of crushed natural lime-stone aggregates with recycled aggregates from crushed tested cylinders in batching plants. Choosing crushed cylinders as source of recycling would result in reusing portion of the waste products of the concrete production industry. An extensive concrete batching and testing program was conducted to achieve two optimum normal and high strength concrete mixes. The variables were the nominal concrete strength (28 or 60 MPa and the percentage replacement of natural coarse aggregates with recycled aggregates from crushed tested cylinders (0, 20, 40, 60, 80, or 100%. Normal strength tested cylinders were used as source of the recycled aggregates for the normal strength concrete (NSC mix and high strength tested cylinders were used for the high strength concrete (HSC mix. Tests on the trial batches included plastic state slump and hardened state mechanical properties including cylinder compressive strength, cylinder splitting tensile strength, modulus of elasticity, and standard beams flexural strength. The results indicated no significant effect on the slump and around 10% average reduction in the hardened mechanical properties for both investigated levels of concrete compressive strength.

  15. Minimization of Ventilator-Induced Lung Injury in ARDS Patients – Part I: Complex Model of Mechanically Ventilated ARDS Lungs

    Directory of Open Access Journals (Sweden)

    Glapiński Jarosław

    2017-12-01

    Full Text Available A complex model of mechanically ventilated ARDS lungs is proposed in the paper. This analogue is based on a combination of four components that describe breathing mechanics: morphology, mechanical properties of surfactant, tissue and chest wall characteristics. Physical-mathematical formulas attained from experimental data have been translated into their electrical equivalents and implemented in MultiSim software. To examine the adequacy of the forward model to the properties and behaviour of mechanically ventilated lungs in patients with ARDS symptoms, several computer simulations have been performed and reported in the paper. Inhomogeneous characteristics observed in the physical properties of ARDS lungs were mapped in a multi-lobe model and the measured outputs were compared with the data from physiological reports. In this way clinicians and scientists can obtain the knowledge on the moment of airway zone reopening/closure expressed as a function of pressure, volume or even time. In the paper, these trends were assessed for inhomogeneous distributions (proper for ARDS of surfactant properties and airway geometry in consecutive lung lobes. The proposed model enables monitoring of temporal alveolar dynamics in successive lobes as well as those occurring at a higher level of lung structure organization, i.e. in a point P0 which can be used for collection of respiratory data during indirect management of recruitment/de-recruitment processes in ARDS lungs. The complex model and synthetic data generated for various parametrization scenarios make possible prospective studies on designing an indirect mode of alveolar zone management, i.e. with

  16. Assessment of the Mechanisms for Sr-90 and TRU Removal from Complexant-Containing Tank Wastes at Hanford

    International Nuclear Information System (INIS)

    Hallen, Richard T.; Geeting, John GH; Lilga, Michael A.; Hart, Todd R.; Hoopes, Francis V.

    2005-01-01

    Small-scale tests (∼20 mL) were conducted with samples from Hanford underground storage tanks AN-102 and AN-107 to assess the mechanisms for removing Sr-90 and transuranics (TRU) from the liquid (supernatant) portion of the waste. The Sr-90 and TRU must be removed (decontaminated), in addition to Cs-137 and the entrained solids, before the supernatant can be disposed of as low-activity waste. Experiments were conducted with various reagents and modified Sr/TRU removal process conditions to more fully understand the reaction mechanisms. The optimized treatment conditions--no added hydroxide, addition of Sr (0.02M target concentration) followed by sodium permanganate (0.02M target concentration) with mixing at ambient temperature--were used as a reference for comparison. The waste was initially two orders of magnitude undersaturated with Sr; the addition of nonradioactive Sr(NO?) ? saturated the supernatant, resulting in isotopic dilution and precipitation of Sr-90 as SrCO?. The reaction chemistry of Mn species relevant to the mechanism of TRU removal by permanganate treatment was evaluated, along with the importance of various mechanisms for decontamination, such as precipitation, absorption, ligand exchange, and oxidation of organic complexants. For TRU removal, permanganate addition generally gave the highest DF. The addition of Mn of lower oxidation states (II, IV, and VI) also resulted in good TRU removal, as did complexant oxidation with periodate and addition of Zr(IV) for ligand exchange. These results suggest that permanganate treatment leads to TRU removal by multiple routes

  17. Mechanisms of formation of trace decomposition products in complex high explosive mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Woodyard, J.D.; Burgess, C.E. [West Texas A and M Univ., Canyon, TX (United States); Rainwater, K.A. [Texas Tech Univ., Lubbock, TX (United States)

    1999-03-01

    A significant concern in the nation`s stockpile surveillance program in prediction of the lifetimes of the high explosives (HE) and their components as the weapons age. The Department of Energy`s Core Surveillance and Enhanced Surveillance programs specifically target issues of degradation of HE, binders, and plastic-bonded explosives (PBX) for determination of component lifetimes and handling procedures. These material science topics are being addressed at the DOE national laboratories and production plants, including Pantex. The principal goal of this project is to identify the mechanisms of decomposition of HE, plasticizers, plastic polymer binders, and radical stabilizers resulting from exposures to ionizing radiation, heat, and humidity. The following reports the work completed for 1998, including a comprehensive literature review about some of the materials examined and the laboratory work completed to date. The materials focused on in the laboratory are TATB, Estane 5301, and Irganox 1010.

  18. Effects of chemical complexity on the autoxidation mechanisms of endocyclic alkene ozonolysis products

    DEFF Research Database (Denmark)

    Rissanen, Matti P.; Kurtén, Theo; Sipilä, Mikko

    2015-01-01

    (NO3-) based ionization scheme. The experiments were performed in borosilicate glass flow tube reactors at room temperature (T = 293 ± 3 K) and at ambient pressure. An ensemble of oxidized monomer and dimer products was detected, with elemental compositions obtained from the high......Formation of highly oxidized, multifunctional products in the ozonolysis of three endocyclic alkenes, 1- methylcyclohexene, 4-methylcyclohexene, and α-pinene, was investigated using a chemical ionization atmospheric pressure interface time-of-flight (CI-APi-TOF) mass spectrometer with a nitrate ion......-resolution mass spectra. The monomer product distributions have O/C ratios from 0.8 to 1.6 and can be explained with an autocatalytic oxidation mechanism (=autoxidation) where the oxygen-centered peroxy radical (RO2) intermediates internally rearrange by intramolecular hydrogen shift reactions...

  19. Computer modeling of properties of complex molecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Kulkova, E.Yu. [Moscow State University of Technology “STANKIN”, Vadkovsky per., 1, Moscow 101472 (Russian Federation); Khrenova, M.G.; Polyakov, I.V. [Lomonosov Moscow State University, Chemistry Department, Leninskie Gory 1/3, Moscow 119991 (Russian Federation); Nemukhin, A.V. [Lomonosov Moscow State University, Chemistry Department, Leninskie Gory 1/3, Moscow 119991 (Russian Federation); N.M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Kosygina 4, Moscow 119334 (Russian Federation)

    2015-03-10

    Large molecular aggregates present important examples of strongly nonhomogeneous systems. We apply combined quantum mechanics / molecular mechanics approaches that assume treatment of a part of the system by quantum-based methods and the rest of the system with conventional force fields. Herein we illustrate these computational approaches by two different examples: (1) large-scale molecular systems mimicking natural photosynthetic centers, and (2) components of prospective solar cells containing titan dioxide and organic dye molecules. We demonstrate that modern computational tools are capable to predict structures and spectra of such complex molecular aggregates.

  20. Mechanisms of defect complex formation and environmental-assisted fracture behavior of iron aluminides

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, B.R.; Muratov, L.S.; Kang, B.S.J.; Li, K.Z. [West Virginia Univ., Morgantown, WV (United States)

    1997-12-01

    Iron aluminide has excellent corrosion resistance in high-temperature oxidizing-sulfidizing environments; however, there are problems at room and medium temperature with hydrogen embrittlement as related to exposure to moisture. In this research, a coordinated computational modeling/experimental study of mechanisms related to environmental-assisted fracture behavior of selected iron aluminides is being undertaken. The modeling and the experimental work will connect at the level of coordinated understanding of the mechanisms for hydrogen penetration and for loss of strength and susceptibility to fracture. The focus of the modeling component at this point is on the challenging question of accurately predicting the iron vacancy formation energy in Fe{sub 3}A{ell} and the subsequent tendency, if present, for vacancy clustering. The authors have successfully performed, on an ab initio basis, the first calculation of the vacancy formation energy in Fe{sub 3}A{ell}. These calculations include lattice relaxation effects which are quite large. This has significant implications for vacancy clustering effects with consequences to be explored for hydrogen diffusion. The experimental work at this stage has focused on the relationship of the choice and concentration of additives to the improvement of resistance to hydrogen embrittlement and hence to the fracture behavior. For this reason, comparative crack growth tests of FA-186, FA-187, and FA-189 iron aluminides (all with basic composition of Fe-28A{ell}-5Cr, at % with micro-alloying additives of Zr, C or B) under, air, oxygen, or water environment have been performed. These tests showed that the alloys are susceptible to room temperature hydrogen embrittlement in both B2 and DO{sub 3} conditions. Test results indicated that FA-187, and FA-189 are intrinsically more brittle than FA-186.

  1. Quantum mechanics study of repulsive π-π interaction and flexibility of phenyl moiety in the iron azodioxide complex

    Science.gov (United States)

    Liu, Yuemin; Liu, Yucheng; Murru, Siva; Tzeng, Nianfeng; Srivastava, Radhey S.

    2015-10-01

    In this study, repulsive π-π interactions within iron azodioxide complex Fe[Ph(O)NN(O)Ph]3 were quantum mechanically characterized using DFT, MP2 and CCSD(T) methods. Flexibility of six phenyl moieties in this complex structure was also investigated by structural optimization approach using the DFT methods. Our MP2 and CCSD(T) calculations of the closest pair provided interaction energy of 6.62 and 8.29 kcal/mol respectively, which indicate a strongest repulsion among these intra-molecular π-π interactions. Interaction energy of the particular π-π pair calculated from 24 hybrid DFT methods ranges from 4.56 kcal/mol from BHandH method to 15.15 kcal/mol from O3LYP method. Cares should be exercised when interpreting interaction energy and geometry optimization from DFT simulation of systems containing π-π interaction. Comparison between the DFT results and the benchmark CCSD(T) results shows that the DFT calculations of π-π interaction are reasonable but still need to be interpreted with caution. Furthermore, MP2 interaction energy of -44.69 kcal/mol between two substituted π systems/phenyl rings Ph(O)N-moieties suggested that above energetically unfavorable π-π interaction can be compensated by the covalent bond N-N in a single ligand Ph(O)NN(O)Ph, which allows for a reasonable stability across the complex molecules. Optimizations of the entire complex molecule using B3LYP and M06HF methods produced a large variation of π-π distances and orientations, which implied that the complex molecule may perform catalysis at room temperature.

  2. Rate constants for a mechanism including intermediates in the interconversion of ternary complexes by horse liver alcohol dehydrogenase

    International Nuclear Information System (INIS)

    Sekhar, V.C.; Plapp, B.V.

    1990-01-01

    Transient kinetic data for partial reactions of alcohol dehydrogenase and simulations of progress curves have led to estimates of rate constants for the following mechanism, at pH 8.0 and 25 degrees C: E in equilibrium E-NAD+ in equilibrium *E-NAD+ in equilibrium E-NAD(+)-RCH2OH in equilibrium E-NAD+-RCH2O- in equilibrium *E-NADH-RCHO in equilibrium E-NADH-RCHO in equilibrium E-NADH in equilibrium E. Previous results show that the E-NAD+ complex isomerizes with a forward rate constant of 620 s-1. The enzyme-NAD(+)-alcohol complex has a pK value of 7.2 and loses a proton rapidly (greater than 1000 s-1). The transient oxidation of ethanol is 2-fold faster in D 2 O, and proton inventory results suggest that the transition state has a charge of -0.3 on the substrate oxygen. Rate constants for hydride ion transfer in the forward or reverse reactions were similar for short-chain aliphatic substrates (400-600 s-1). A small deuterium isotope effect for transient oxidation of longer chain alcohols is apparently due to the isomerization of the E-NAD+ complex. The transient reduction of aliphatic aldehydes showed no primary deuterium isotope effect; thus, an isomerization of the E-NADH-aldehyde complex is postulated, as isomerization of the E-NADH complex was too fast to be detected. The estimated microscopic rate constants show that the observed transient reactions are controlled by multiple steps

  3. Structure and mechanism leading to formation of the cysteine sulfinate product complex of a biomimetic cysteine dioxygenase model.

    Science.gov (United States)

    Sallmann, Madleen; Kumar, Suresh; Chernev, Petko; Nehrkorn, Joscha; Schnegg, Alexander; Kumar, Devesh; Dau, Holger; Limberg, Christian; de Visser, Sam P

    2015-05-11

    Cysteine dioxygenase is a unique nonheme iron enzyme that is involved in the metabolism of cysteine in the body. It contains an iron active site with an unusual 3-His ligation to the protein, which contrasts with the structural features of common nonheme iron dioxygenases. Recently, some of us reported a truly biomimetic model for this enzyme, namely a trispyrazolylborato iron(II) cysteinato complex, which not only has a structure very similar to the enzyme-substrate complex but also represents a functional model: Treatment of the model with dioxygen leads to cysteine dioxygenation, as shown by isolating the cysteine part of the product in the course of the work-up. However, little is known on the conversion mechanism and, so far, not even the structure of the actual product complex had been characterised, which is also unknown in case of the enzyme. In a multidisciplinary approach including density functional theory calculations and X-ray absorption spectroscopy, we have now determined the structure of the actual sulfinato complex for the first time. The Cys-SO2 (-) functional group was found to be bound in an η(2) -O,O-coordination mode, which, based on the excellent resemblance between model and enzyme, also provides the first support for a corresponding binding mode within the enzymatic product complex. Indeed, this is again confirmed by theory, which had predicted a η(2) -O,O-binding mode for synthetic as well as the natural enzyme. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Viral Aggregation: Impact on Virus Behavior in the Environment.

    Science.gov (United States)

    Gerba, Charles P; Betancourt, Walter Q

    2017-07-05

    Aggregates of viruses can have a significant impact on quantification and behavior of viruses in the environment. Viral aggregates may be formed in numerous ways. Viruses may form crystal like structures and aggregates in the host cell during replication or may form due to changes in environmental conditions after virus particles are released from the host cells. Aggregates tend to form near the isoelectric point of the virus, under the influence of certain salts and salt concentrations in solution, cationic polymers, and suspended organic matter. The given conditions under which aggregates form in the environment are highly dependent on the type of virus, type of salts in solution (cation, anion. monovalent, divalent) and pH. However, virus type greatly influences the conditions when aggregation/disaggregation will occur, making predictions difficult under any given set of water quality conditions. Most studies have shown that viral aggregates increase the survival of viruses in the environment and resistance to disinfectants, especially with more reactive disinfectants. The presence of viral aggregates may also result in overestimation of removal by filtration processes. Virus aggregation-disaggregation is a complex process and predicting the behavior of any individual virus is difficult under a given set of environmental circumstances without actual experimental data.

  5. Mechanism of Water Oxidation Catalyzed by a Dinuclear Ruthenium Complex Bridged by Anthraquinone

    Directory of Open Access Journals (Sweden)

    Tohru Wada

    2017-02-01

    Full Text Available We synthesized 1,8-bis(2,2′:6′,2″-terpyrid-4′-ylanthraquinone (btpyaq as a new dimerizing ligand and determined its single crystal structure by X-ray analysis. The dinuclear Ruthenium complex [Ru2(µ-Cl(bpy2(btpyaq](BF43 ([3](BF43, bpy = 2,2′-bipyridine was used as a catalyst for water oxidation to oxygen with (NH42[Ce(NO36] as the oxidant (turnover numbers = 248. The initial reaction rate of oxygen evolution was directly proportional to the concentration of the catalyst and independent of the oxidant concentration. The cyclic voltammogram of [3](BF43 in water at pH 1.3 showed an irreversible catalytic current above +1.6 V (vs. SCE, with two quasi-reversible waves and one irreversible wave at E1/2 = +0.62, +0.82 V, and Epa = +1.13 V, respectively. UV-vis and Raman spectra of [3](BF43 with controlled-potential electrolysis at +1.40 V revealed that [Ru(IV=O O=Ru(IV]4+ is stable under electrolysis conditions. [Ru(III, Ru(II] species are recovered after dissociation of an oxygen molecule from the active species in the catalytic cycle. These results clearly indicate that an O–O bond is formed via [Ru(V=O O=Ru(IV]5+.

  6. Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes

    Science.gov (United States)

    Bestembayeva, Aizhan; Kramer, Armin; Labokha, Aksana A.; Osmanović, Dino; Liashkovich, Ivan; Orlova, Elena V.; Ford, Ian J.; Charras, Guillaume; Fassati, Ariberto; Hoogenboom, Bart W.

    2015-01-01

    The nuclear pore complex (NPC) is the gate for transport between the cell nucleus and the cytoplasm. Small molecules cross the NPC by passive diffusion, but molecules larger than ∼5 nm must bind to nuclear transport receptors to overcome a selective barrier within the NPC. Although the structure and shape of the cytoplasmic ring of the NPC are relatively well characterized, the selective barrier is situated deep within the central channel of the NPC and depends critically on unstructured nuclear pore proteins, and is therefore not well understood. Here, we show that stiffness topography with sharp atomic force microscopy tips can generate nanoscale cross-sections of the NPC. The cross-sections reveal two distinct structures, a cytoplasmic ring and a central plug structure, which are consistent with the three-dimensional NPC structure derived from electron microscopy. The central plug persists after reactivation of the transport cycle and resultant cargo release, indicating that the plug is an intrinsic part of the NPC barrier. Added nuclear transport receptors accumulate on the intact transport barrier and lead to a homogenization of the barrier stiffness. The observed nanomechanical properties in the NPC indicate the presence of a cohesive barrier to transport and are quantitatively consistent with the presence of a central condensate of nuclear pore proteins in the NPC channel.

  7. Cooperative and submolecular dissipation mechanisms of sliding friction in complex organic systems.

    Science.gov (United States)

    Knorr, Daniel B; Gray, Tomoko O; Overney, René M

    2008-08-21

    Energy dissipation in single asperity sliding friction was directly linked to submolecular modes of mobility by intrinsic friction analysis, involving time-temperature superposition along with thermodynamic stress and reaction rate models. Thereby, polystyrene served as a representative tribological sample for organic and amorphous complex systems. This study reveals the significance of surface and subsurface (alpha-, beta-, and gamma-) relaxational modes, which couple under appropriate external conditions (load, temperature, and rate) with shear induced disturbances, and thus gives rise to material specific frictional dissipation. At low pressures and temperatures below the glass transition point, the phenyl pendant side groups of polystyrene, known for their preferential orientation at the free surface, were noticed to be the primary channel for dissipation of kinetic sliding-energy. While this process was found to be truly enthalpic (activation energy of 8 kcalmol), energy dissipation was shown to possess both enthalpic and cooperative entropic contributions above the loading capacity of the surface phenyl groups (9.9 kcalmol) or above the glass transition. Apparent Arrhenius activation energies of frictional dissipation of 22 and 90 kcalmol, respectively, and cooperative contributions up to 80% were found. As such, this study highlights issues critical to organic lubricant design, i.e., the intrinsic enthalpic activation barriers of mobile linker groups, the evaluation of cooperative mobility phenomena, and critical tribological parameters to access or avoid coupling between shear disturbances and molecular actuators.

  8. Mechanisms and kinetics for platelet and neutrophil localization in immune complex nephritis

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, R.J.; Alpers, C.E.; Pruchno, C.; Schulze, M.; Baker, P.J.; Pritzl, P.; Couser, W.G. (Univ. of Washington, Seattle (USA))

    1989-11-01

    We have previously reported that both neutrophils (PMNs) and platelets mediate proteinuria in a model of subendothelial immune complex (IC) nephritis (GN) in the rat. In order to understand the interaction of PMNs and platelets in this model, we quantitated the uptake of {sup 111}In-labelled platelets in glomeruli and correlated this with the number of PMNs observed histologically at 10 and 30 minutes, 1, 4 and 24 hours following induction of GN. Platelet accumulation was biphasic with a major peak at 10 minutes and a minor peak at four hours. Early platelet accumulation was complement dependent, and PMN-independent. PMN accumulation occurred after the initial platelet influx, peaking at one and four hours, was complement dependent, but was not affected by platelet depletion. Complement depletion significantly reduced proteinuria. This is the first documentation that platelet accumulation in glomeruli in IC GN is complement dependent. In addition, the enhancement of PMN-mediated injury by the platelet in this model does not involve effects of platelets on PMN localization, thus implying a functional interaction between these cells within the glomerulus.

  9. On the mechanism of imine elimination from Fischer tungsten carbene complexes

    Directory of Open Access Journals (Sweden)

    Philipp Veit

    2016-06-01

    Full Text Available (Aminoferrocenyl(ferrocenylcarbene(pentacarbonyltungsten(0 (CO5W=C(NHFcFc (W(CO5(E-2 is synthesized by nucleophilic substitution of the ethoxy group of (CO5W=C(OEtFc (M(CO5(1Et by ferrocenyl amide Fc-NH– (Fc = ferrocenyl. W(CO5(E-2 thermally and photochemically eliminates bulky E-1,2-diferrocenylimine (E-3 via a formal 1,2-H shift from the N to the carbene C atom. Kinetic and mechanistic studies to the formation of imine E-3 are performed by NMR, IR and UV–vis spectroscopy and liquid injection field desorption ionization (LIFDI mass spectrometry as well as by trapping experiments for low-coordinate tungsten complexes with triphenylphosphane. W(CO5(E-2 decays thermally in a first-order rate-law with a Gibbs free energy of activation of ΔG‡298K = 112 kJ mol−1. Three proposed mechanistic pathways are taken into account and supported by detailed (time-dependent densitiy functional theory [(TD-DFT] calculations. The preferred pathway is initiated by an irreversible CO dissociation, followed by an oxidative addition/pseudorotation/reductive elimination pathway with short-lived, elusive seven-coordinate hydrido tungsten(II intermediates cis(N,H-W(CO4(H(Z-15 and cis(C,H-W(CO4(H(Z-15.

  10. Modulation of Correlated Segment Fluctuations in IDPs upon Complex Formation as an Allosteric Regulatory Mechanism.

    Science.gov (United States)

    Beier, Andreas; Schwarz, Thomas C; Kurzbach, Dennis; Platzer, Gerald; Tribuzio, Francesca; Konrat, Robert

    2018-05-05

    Molecular recognition of and by intrinsically disordered proteins (IDPs) is an intriguing and still largely elusive phenomenon. Typically, protein recognition involving IDPs requires either folding upon binding or, alternatively, the formation of "fuzzy complexes." Here we show via correlation analyses of paramagnetic relaxation enhancement data unprecedented and striking alterations of the concerted fluctuations within the conformational ensemble of IDPs upon ligand binding. We study the binding of α-synuclein to calmodulin, a ubiquitous calcium-binding protein, and the binding of the extracellular matrix IDP osteopontin to heparin, a mimic of the extracellular matrix ligand hyaluronic acid. In both cases, binding leads to reduction of correlated long-range motions in these two IDPs and thus indicates a loosening of structural compaction upon binding. Most importantly, however, the simultaneous presence of correlated and anti-correlated fluctuations in IDPs suggests the prevalence of "energetic frustration" and provides an explanation for the puzzling observation of disordered allostery in IDPs. Copyright © 2018. Published by Elsevier Ltd.

  11. Chitosan–Zinc(II Complexes as a Bio-Sorbent for the Adsorptive Abatement of Phosphate: Mechanism of Complexation and Assessment of Adsorption Performance

    Directory of Open Access Journals (Sweden)

    Maryam Roza Yazdani

    2017-12-01

    Full Text Available This study examines zinc(II–chitosan complexes as a bio-sorbent for phosphate removal from aqueous solutions. The bio-sorbent is prepared and is characterized via Fourier Transform Infrared Spectroscopy (FT-IR, Scanning Electron Microscopy (SEM, and Point of Zero Charge (pHPZC–drift method. The adsorption capacity of zinc(II–chitosan bio-sorbent is compared with those of chitosan and ZnO–chitosan and nano-ZnO–chitosan composites. The effect of operational parameters including pH, temperature, and competing ions are explored via adsorption batch mode. A rapid phosphate uptake is observed within the first three hours of contact time. Phosphate removal by zinc(II–chitosan is favored when the surface charge of bio-sorbent is positive/or neutral e.g., within the pH range inferior or around its pHPZC, 7. Phosphate abatement is enhanced with decreasing temperature. The study of background ions indicates a minor effect of chloride, whereas nitrate and sulfate show competing effect with phosphate for the adsorptive sites. The adsorption kinetics is best described with the pseudo-second-order model. Sips (R2 > 0.96 and Freundlich (R2 ≥ 0.95 models suit the adsorption isotherm. The phosphate reaction with zinc(II–chitosan is exothermic, favorable and spontaneous. The complexation of zinc(II and chitosan along with the corresponding mechanisms of phosphate removal are presented. This study indicates the introduction of zinc(II ions into chitosan improves its performance towards phosphate uptake from 1.45 to 6.55 mg/g and provides fundamental information for developing bio-based materials for water remediation.

  12. Concrete = aggregate, cement, water?

    International Nuclear Information System (INIS)

    Jelinek, J.

    1990-01-01

    Concrete for the Temelin nuclear power plant is produced to about 70 different formulae. For quality production, homogeneous properties of aggregates, accurate proportioning devices, technological discipline and systematic inspections and tests should be assured. The results are reported of measuring compression strength after 28 days for different concrete samples. The results of such tests allow reducing the proportion of cement, which brings about considerable savings. Reduction in cement quantities can also be achieved by adding ash to the concrete mixes. Ligoplast, a plasticizer addition is used for improving workability. (M.D). 8 figs

  13. Characterization of the Sr(2+)- and Cd(2+)-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations.

    Science.gov (United States)

    Pitari, Fabio; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo

    2015-09-29

    The Mn4CaO5 cluster in the oxygen-evolving complex is the catalytic core of the Photosystem II (PSII) enzyme, responsible for the water splitting reaction in oxygenic photosynthesis. The role of the redox-inactive ion in the cluster has not yet been fully clarified, although several experimental data are available on Ca2+-depleted and Ca2+-substituted PSII complexes, indicating Sr2+-substituted PSII as the only modification that preserves oxygen evolution. In this work, we investigated the structural and electronic properties of the PSII catalytic core with Ca2+ replaced with Sr2+ and Cd2+ in the S2 state of the Kok−Joliot cycle by means of density functional theory and ab initio molecular dynamics based on a quantum mechanics/ molecular mechanics approach. Our calculations do not reveal significant differences between the substituted and wild-type systems in terms of geometries, thermodynamics, and kinetics of two previously identified intermediate states along the S2 to S3 transition, namely, the open cubane S2 A and closed cubane S2 B conformers. Conversely, our calculations show different pKa values for the water molecule bound to the three investigated heterocations. Specifically, for Cd-substituted PSII, the pKa value is 5.3 units smaller than the respective value in wild type Ca-PSII. On the basis of our results, we conclude that, assuming all the cations sharing the same binding site, the induced difference in the acidity of the binding pocket might influence the hydrogen bonding network and the redox levels to prevent the further evolution of the cycle toward the S3 state.

  14. Complex Diffusion Mechanisms for Li in Feldspar: Re-thinking Li-in-Plag Geospeedometry

    Science.gov (United States)

    Holycross, M.; Watson, E. B.

    2017-12-01

    In recent years, the lithium isotope system has been applied to model processes in a wide variety of terrestrial environments. In igneous settings, Li diffusion gradients have been frequently used to time heating episodes. Lithium partitioning behavior during decompression or cooling events drives Li transfer between phases, but the extent of Li exchange may be limited by its diffusion rate in geologic materials. Lithium is an exceptionally fast diffuser in silicate media, making it uniquely suited to record short-lived volcanic phenomena. The Li-in-plagioclase geospeedometer is often used to time explosive eruptions by applying laboratory-calibrated Li diffusion coefficients to model concentration profiles in magmatic feldspar samples. To quantify Li transport in natural scenarios, experimental measurements are needed that account for changing temperature and oxygen fugacity as well as different feldspar compositions and crystallographic orientation. Ambient pressure experiments were run at RPI to diffuse Li from a powdered spodumene source into polished sanidine, albite, oligoclase or anorthite crystals over the temperature range 500-950 ºC. The resulting 7Li concentration gradients developed in the mineral specimens were evaluated using laser ablation ICP-MS. The new data show that Li diffusion in all feldspar compositions simultaneously operates by both a "fast" and "slow" diffusion mechanism. Fast path diffusivities are similar to those found by Giletti and Shanahan [1997] for Li diffusion in plagioclase and are typically 10 to 20 times greater than slow path diffusivities. Lithium concentration gradients in the feldspar experiments plot in the shape of two superimposed error function curves with the slow diffusion regime in the near-surface of the crystal. Lithium diffusion is most sluggish in sanidine and is significantly faster in the plagioclase feldspars. It is still unclear what diffusion mechanism operates in nature, but the new measurements may impact

  15. Asphaltene Aggregation and Fouling Behavior

    Science.gov (United States)

    Derakhshesh, Marzie

    . Analysis of the spectra of the whole asphaltene samples in toluene indicates that the absorbance of visible light with wavelengths > 600 nm follows a lambda--4 dependence. This functional dependence is consistent with Rayleigh scattering. Rayleigh scattering provides strong evidence that the apparent absorption of visible light by asphaltenes from 600-800 nm is not a molecular absorption phenomenon but rather a scattering mechanism. Rayleigh scattering equations were combined with experimental visible spectra to estimate the average nanoaggregate sizes, which were in a very good agreement with the sizes reported in the literature. The occlusion of two polynuclear aromatic hydrocarbons (PAHs) (pyrene and phenanthrene) in asphaltene precipitates was tested by adding PAHs to the asphaltene in toluene solutions, precipitating by n-pentane and determining the amount of PAHs in precipitates using simulated distillation instrument. Pyrene and phenanthrene, which are normally soluble in the toluene-n-pentane solutions, were detected in the asphaltene precipitates at up to 6 wt% concentration. Trapping of PAHs outside of the nanoaggregates during precipitation gave 7-14 times less of the PAHs in the solid precipitate. This study shows that asphaltene aggregates can interact significantly with PAHs. The results are consistent with the presence open porous asphaltene nanoaggregates in solutions such as toluene.

  16. Characterization of the molecular mechanism underlying gibberellin perception complex formation in rice.

    Science.gov (United States)

    Hirano, Ko; Asano, Kenji; Tsuji, Hiroyuki; Kawamura, Mayuko; Mori, Hitoshi; Kitano, Hidemi; Ueguchi-Tanaka, Miyako; Matsuoka, Makoto

    2010-08-01

    The DELLA protein SLENDER RICE1 (SLR1) is a repressor of gibberellin (GA) signaling in rice (Oryza sativa), and most of the GA-associated responses are induced upon SLR1 degradation. It is assumed that interaction between GIBBERELLIN INSENSITIVE DWARF1 (GID1) and the N-terminal DELLA/TVHYNP motif of SLR1 triggers F-box protein GID2-mediated SLR1 degradation. We identified a semidominant dwarf mutant, Slr1-d4, which contains a mutation in the region encoding the C-terminal GRAS domain of SLR1 (SLR1(G576V)). The GA-dependent degradation of SLR1(G576V) was reduced in Slr1-d4, and compared with SLR1, SLR1(G576V) showed reduced interaction with GID1 and almost none with GID2 when tested in yeast cells. Surface plasmon resonance of GID1-SLR1 and GID1-SLR1(G576V) interactions revealed that the GRAS domain of SLR1 functions to stabilize the GID1-SLR1 interaction by reducing its dissociation rate and that the G576V substitution in SLR1 diminishes this stability. These results suggest that the stable interaction of GID1-SLR1 through the GRAS domain is essential for the recognition of SLR1 by GID2. We propose that when the DELLA/TVHYNP motif of SLR1 binds with GID1, it enables the GRAS domain of SLR1 to interact with GID1 and that the stable GID1-SLR1 complex is efficiently recognized by GID2.

  17. Characterization of the Molecular Mechanism Underlying Gibberellin Perception Complex Formation in Rice[C][W

    Science.gov (United States)

    Hirano, Ko; Asano, Kenji; Tsuji, Hiroyuki; Kawamura, Mayuko; Mori, Hitoshi; Kitano, Hidemi; Ueguchi-Tanaka, Miyako; Matsuoka, Makoto

    2010-01-01

    The DELLA protein SLENDER RICE1 (SLR1) is a repressor of gibberellin (GA) signaling in rice (Oryza sativa), and most of the GA-associated responses are induced upon SLR1 degradation. It is assumed that interaction between GIBBERELLIN INSENSITIVE DWARF1 (GID1) and the N-terminal DELLA/TVHYNP motif of SLR1 triggers F-box protein GID2-mediated SLR1 degradation. We identified a semidominant dwarf mutant, Slr1-d4, which contains a mutation in the region encoding the C-terminal GRAS domain of SLR1 (SLR1G576V). The GA-dependent degradation of SLR1G576V was reduced in Slr1-d4, and compared with SLR1, SLR1G576V showed reduced interaction with GID1 and almost none with GID2 when tested in yeast cells. Surface plasmon resonance of GID1-SLR1 and GID1-SLR1G576V interactions revealed that the GRAS domain of SLR1 functions to stabilize the GID1-SLR1 interaction by reducing its dissociation rate and that the G576V substitution in SLR1 diminishes this stability. These results suggest that the stable interaction of GID1-SLR1 through the GRAS domain is essential for the recognition of SLR1 by GID2. We propose that when the DELLA/TVHYNP motif of SLR1 binds with GID1, it enables the GRAS domain of SLR1 to interact with GID1 and that the stable GID1-SLR1 complex is efficiently recognized by GID2. PMID:20716699

  18. Mechanisms and dynamics of cooperation and competition emergence in complex networked systems

    Science.gov (United States)

    Gianetto, David A.

    Cooperative behavior is a pervasive phenomenon in human interactions and yet how it can evolve and become established, through the selfish process of natural selection, is an enduring puzzle. These behaviors emerge when agents interact in a structured manner; even so, the key structural factors that affect cooperation are not well understood. Moreover, the literature often considers cooperation a single attribute of primitive agents who do not react to environmental changes but real-world actors are more perceptive. The present work moves beyond these assumptions by evolving more realistic game participants, with memories of the past, on complex networks. Agents play repeated games with a three-part Markovian strategy that allows us to separate the cooperation phenomenon into trust, reciprocity, and forgiveness characteristics. Our results show that networks matter most when agents gain the most by acting in a selfish manner, irrespective of how much they may lose by cooperating; since the context provided by neighborhoods inhibits greedy impulses that agents otherwise succumb to in isolation. Network modularity is the most important driver of cooperation emergence in these high-stakes games. However, modularity fails to tell the complete story. Modular scale-free graphs impede cooperation when close coordination is required, partially due to the acyclic nature of scale-free network models. To achieve the highest cooperation in diverse social conditions, both high modularity, low connectivity within modules, and a rich network of long cycles become important. With these findings in hand, we study the influence of networks on coordination and competition within the federal health care insurance exchange. In this applied study, we show that systemic health care coordination is encouraged by the emergent insurance network. The network helps underpin the viability of the exchange and provides an environment of stronger competition once a critical-mass of insurers have

  19. Effect of the Aggregate Size on Strength Properties of Recycled Aggregate Concrete

    Directory of Open Access Journals (Sweden)

    Ma Kang

    2018-01-01

    Full Text Available The study on preparation technology of recycled concrete with economical and technical feasibility has gained more serious attention in each country due to its involvement and effect on the environment protection and the sustainable development of human society. In this study, we conducted a control variable test to investigate and assess the influence of the aggregate size on the strength characteristics of concrete with different diameters of recycled aggregates. Concrete with recycled aggregates of 5∼15 mm (A, 15∼20 mm (B, 20∼30 mm (C, and their combinations were subjected to a series of unconfined pressure tests after curing for 28 days. Based on the results obtained from the tests, an effort was made to study the relationship between the mechanical characteristics of recycled aggregate concrete and aggregate particle size. Also, a regression model of recycled concrete was proposed to predict the elasticity modulus and to adjust the design of mixture proportion. It is believed that these experiment results would contribute to adjust the remediation mixture for recycling plants by considering the influence of recycled aggregate size.

  20. Prediction of the aggregation propensity of proteins from the primary sequence: aggregation properties of proteomes.

    Science.gov (United States)

    Castillo, Virginia; Graña-Montes, Ricardo; Sabate, Raimon; Ventura, Salvador

    2011-06-01

    In the cell, protein folding into stable globular conformations is in competition with aggregation into non-functional and usually toxic structures, since the biophysical properties that promote folding also tend to favor intermolecular contacts, leading to the formation of β-sheet-enriched insoluble assemblies. The formation of protein deposits is linked to at least 20 different human disorders, ranging from dementia to diabetes. Furthermore, protein deposition inside cells represents a major obstacle for the biotechnological production of polypeptides. Importantly, the aggregation behavior of polypeptides appears to be strongly influenced by the intrinsic properties encoded in their sequences and specifically by the presence of selective short regions with high aggregation propensity. This allows computational methods to be used to analyze the aggregation properties of proteins without the previous requirement for structural information. Applications range from the identification of individual amyloidogenic regions in disease-linked polypeptides to the analysis of the aggregation properties of complete proteomes. Herein, we review these theoretical approaches and illustrate how they have become important and useful tools in understanding the molecular mechanisms underlying protein aggregation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Surface tension driven aggregation of organic nanowires via lab in a droplet.

    Science.gov (United States)

    Gu, Jianmin; Yin, Baipeng; Fu, Shaoyan; Feng, Man; Zhang, Ziming; Dong, Haiyun; Gao, Faming; Zhao, Yong Sheng

    2018-06-05

    Directing the architecture of complex organic nanostructures is desirable and still remains a challenge in areas of materials science due to their structure-dependent collective optoelectronic properties. Herein, we demonstrate a simple and versatile solution strategy that allows surface tension to drive low-dimensional nanostructures to aggregate into complex structures via a lab in a droplet technique. By selecting a suitable combination of a solvent and an anti-solvent with controllable surface tension difference, the droplets can be automatically cracked into micro-droplets, which provides an aggregation force directed toward the centre of the droplet to drive the low-dimensional building blocks to form the special aggregations during the self-assembly process. This synthetic strategy has been shown to be universal for organic materials, which is beneficial for further optimizing the optoelectronic properties. These results contribute to gaining an insightful understanding on the detailed growth mechanism of complex organic nanostructures and greatly promoting the development of organic nanophotonics.

  2. Structural modeling of the distamycin A-d(CGCGAATTCGCG)2 complex using 2D NMR and molecular mechanics

    International Nuclear Information System (INIS)

    Pelton, J.G.; Wemmer, D.E.

    1988-01-01

    The structure of the distamycin A-d(CGCGAATTCGCG) 2 complex has been determined through a combination of SKEWSY and NOESY 2D NMR experiments and molecular mechanics calculations. NMR data provided upper bounds on many proton-proton pairs. The advantage of the SKEWSY/NOESY method is that small groups of strongly coupled spins can be treated accurately as isolated systems. The AMBER molecular mechanics package, modified to include the NMR constraints, was used in energy refinements. Distamycin A fits snugly into the 5'-AATT-3' minor-groove binding site. Structural analysis revealed van der Waals contacts between A5, A6, and A18 C2H and drug H3 protons, potential three-center hydrogen bonding between drug amide protons and adenine N3 and thymine O2 atoms analogous to the spine of hydration in the crystal structure of the free DNA, and stacking of the sugar O1' atoms of A6-C21, T7-T20, and T8-T19, over drug pyrrole rings 1, 2, and 3, respectively. In addition to hydrophobic effects, hydrogen bonding, and electrostatic interactions proposed by others, it is suggested that stacking interactions between DNA sugar O ' atoms and the three drug pyrrole rings contribute to the stability of the complex

  3. Complex molecular mechanisms cooperate to mediate histone deacetylase inhibitors anti-tumour activity in neuroblastoma cells

    Directory of Open Access Journals (Sweden)

    Nardou Katya

    2008-06-01

    Full Text Available Abstract Background Histone deacetylase inhibitors (HDACi are a new class of promising anti-tumour agent inhibiting cell proliferation and survival in tumour cells with very low toxicity toward normal cells. Neuroblastoma (NB is the second most common solid tumour in children still associated with poor outcome in higher stages and, thus NB strongly requires novel treatment modalities. Results We show here that the HDACi Sodium Butyrate (NaB, suberoylanilide hydroxamic acid (SAHA and Trichostatin A (TSA strongly reduce NB cells viability. The anti-tumour activity of these HDACi involved the induction of cell cycle arrest in the G2/M phase, followed by the activation of the intrinsic apoptotic pathway, via the activation of the caspases cascade. Moreover, HDACi mediated the activation of the pro-apoptotic proteins Bid and BimEL and the inactivation of the anti-apoptotic proteins XIAP, Bcl-xL, RIP and survivin, that further enhanced the apoptotic signal. Interestingly, the activity of these apoptosis regulators was modulated by several different mechanisms, either by caspases dependent proteolytic cleavage or by degradation via the proteasome pathway. In addition, HDACi strongly impaired the hypoxia-induced secretion of VEGF by NB cells. Conclusion HDACi are therefore interesting new anti-tumour agents for targeting highly malignant tumours such as NB, as these agents display a strong toxicity toward aggressive NB cells and they may possibly reduce angiogenesis by decreasing VEGF production by NB cells.

  4. PREPARATION,COMPLEX MECHANISM AND STRUCTURE MODEL OF METALLOPHTHALOC- YANINE-Fe3O4 NANOPARTICLES COMPOSITE

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    MPc-Fe3O4-nanoparticles composite(M=Co, Cu, Ni, Mn) have been prepared and the factors that influence their mean size have been studied. The mean size of the nanoparticles composite increase with the increase of complex temperature. The interaction of MPc with Fe3O4 nanoparticles has been studied. There are M-O covalent bonding and ionic bonding between MPc and Fe3O4 nanoparticles. The intensities of M-O bonding and ionic bonding are in vestigated .The complex mechanism of MPc with Fe3O4 nanoparticles have been studied. First, there are complex between MPc and all Fe3O4 nanoparticles. Then, Fe3O4 nanoparticles accumulate together to form the accumulators, MPc have the function of cohering Fe3O4 nanoparticles. A considerable number of MPc combine with Fe3O4 nanoparticles on the surface of the accumulators to form MPc-Fe3O4 nanoparticles composite. All the above proesses take place spontaneously. The structure model of MPc-Fe3O4 nanoparticles composite has also been investigated. Inside the MPc-Fe3O4 nanoparticles composite, Fe3O4 nanoparticles accumulate together without order, on the surface of the composite, MPc form molecular dispersion layer. The threshold of molecular dispersion layer are also investigated.

  5. Zebrafish and relational memory: Could a simple fish be useful for the analysis of biological mechanisms of complex vertebrate learning?

    Science.gov (United States)

    Gerlai, Robert

    2017-08-01

    Analysis of the zebrafish allows one to combine two distinct scientific approaches, comparative ethology and neurobehavioral genetics. Furthermore, this species arguably represents an optimal compromise between system complexity and practical simplicity. This mini-review focuses on a complex form of learning, relational learning and memory, in zebrafish. It argues that zebrafish are capable of this type of learning, and it attempts to show how this species may be useful in the analysis of the mechanisms and the evolution of this complex brain function. The review is not intended to be comprehensive. It is a short opinion piece that reflects the author's own biases, and it draws some of its examples from the work coming from his own laboratory. Nevertheless, it is written in the hope that it will persuade those who have not utilized zebrafish and who may be interested in opening their research horizon to this relatively novel but powerful vertebrate research tool. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Mechanism and degradation kinetics of zinc complex containing isophthalato and 2,2‧-dipyridylamine ligands under different atmospheres

    Science.gov (United States)

    Zdravković, J. D.; Radovanović, L.; Poleti, D.; Rogan, J. R.; Vulić, P. J.; Radovanović, Ž.; Minić, D. M.

    2018-06-01

    The design of mixed-ligand complexes are of increasing interest from fundamental as well as technological and curative aspects. Having that in mind, we studied zinc complex containing 2,2‧-dipyridylamine (dipya) and dianion of isophthalic acid (ipht), [Zn(dipya)(ipht)]n, as promising precursor for synthesis of nanostructured metal oxide. In that sense, the mechanism and degradation kinetics of [Zn(dipya)(ipht)]n was analyzed under non-isothermal conditions in nitrogen and in air atmospheres. Peak deconvolution of the [Zn(dipya)(ipht)]n decomposition profile, in the form of a derivative thermogram (DTG), in nitrogen atmosphere, revealed the presence of three decomposition steps, while in air five single steps were isolated. In both cases ZnO is formed as residue at 530 °C: pure (in air) or in amorphous matrix (nitrogen). In air we obtained well crystalized ZnO nanospheres (∼25 nm), by thermal treatment in temperature range 370-530 °C showing that this complex could be considered as good precursor for production of nanosized ZnO.

  7. Taurine and platelet aggregation

    International Nuclear Information System (INIS)

    Nauss-Karol, C.; VanderWende, C.; Gaut, Z.N.

    1986-01-01

    Taurine is a putative neurotransmitter or neuromodulator. The endogenous taurine concentration in human platelets, determined by amino acid analysis, is 15 μM/g. In spite of this high level, taurine is actively accumulated. Uptake is saturable, Na + and temperature dependent, and suppressed by metabolic inhibitors, structural analogues, and several classes of centrally active substances. High, medium and low affinity transport processes have been characterized, and the platelet may represent a model system for taurine transport in the CNS. When platelets were incubated with 14 C-taurine for 30 minutes, then resuspended in fresh medium and reincubated for one hour, essentially all of the taurine was retained within the cells. Taurine, at concentrations ranging from 10-1000 μM, had no effect on platelet aggregation induced by ADP or epinephrine. However, taurine may have a role in platelet aggregation since 35-39% of the taurine taken up by human platelets appears to be secreted during the release reaction induced by low concentrations of either epinephrine or ADP, respectively. This release phenomenon would imply that part of the taurine taken up is stored directly in the dense bodies of the platelet

  8. Source complexity and the physical mechanism of the 2015 Mw 7.9 Bonin Island earthquake

    Science.gov (United States)

    Chen, Y.; Meng, L.; Wen, L.

    2015-12-01

    The 30 May 2015 Mw 7.9 Bonin Island earthquake is the largest instrument-recorded deep-focus earthquake in the Izu-Bonin arc. It occurred approximately 100 km deeper than the previous seismicity, in the region unlikely to be within the core of the subducting Izu-Bonin slab. The earthquake provides an unprecedented opportunity to understand the unexpected occurrence of such isolated deep earthquakes. Multiple source inversion of the P, SH, pP and sSH phases and a novel fully three-dimensional back-projection of P and pP phases are applied to study the coseismic source process. The subevents locations and short-period energy radiations both show a L-shape bilateral rupture propagating initially in the SW direction then in the NW direction with an average rupture speed of 2.0 km/s. The decrease of focal depth on the NW branch suggests that the rupture is consistent with a single sub-horizontal plane inferred from the GCMT solution. The multiple source inversion further indicates slight variation of the focal strikes of the sub-events with the curvature of the subducting Izu-Bonin slab. The rupture is confined within an area of 20 km x 35 km, rather compact compared with the shallow earthquake of similar magnitude. The earthquake is of high stress drop on the order of 100 MPa and a low seismic efficiency of 0.19, indicating large frictional heat dissipation. The only aftershock is 11 km to the east of the mainshock hypocenter and 3 km away from the centroid of the first sub-event. Analysis of the regional tomography and nearby seismicity suggests that the earthquake may occur at the edge/periphery of the bending slab and is unlikely to be within the "cold" metastable olivine wedge. Our results suggest the spontaneous nucleation of the thermally induced shear instability is a possible mechanism for such isolated deep earthquakes.

  9. Understanding curcumin-induced modulation of protein aggregation.

    Science.gov (United States)

    Ahmad, Basir; Borana, Mohanish S; Chaudhary, Ankur P

    2017-07-01

    Curcumin, a diarylheptanoid compound, found in spice turmeric is known to alter the aggregation of proteins and reduce the toxicity of the aggregates. This review looks at the molecular basis of modulating protein aggregation and toxicity of the aggregates. Foremost, we identify the interaction of curcumin and its derivatives with proteins/peptides and the effect of their interaction on the conformational stability and unfolding/folding pathway(s). The unfolding/folding processes generate partially folded/unfolded intermediate, which serve as aggregation precursor state. Secondly, we discuss the effect of curcumin binding on the kinetics parameters of the aggregation process, which give information about the mechanism of the aggregation inhibition. We describe, in addition, that curcumin can accelerate/promote fibril formation by binding to oligomeric intermediate(s) accumulated in the aggregation pathway. Finally, we discuss the correlation of curcumin-induced monomeric and/or oligomeric precursor states with aggregate structure and toxicity. On the basis of these discussions, we propose a model describing curcumin-induced inhibition/promotion of formation of amyloid-like fibrils. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Research on Judgment Aggregation Based on Logic

    Directory of Open Access Journals (Sweden)

    Li Dai

    2014-05-01

    Full Text Available Preference aggregation and judgment aggregation are two basic research models of group decision making. And preference aggregation has been deeply studied in social choice theory. However, researches of social choice theory gradually focus on judgment aggregation which appears recently. Judgment aggregation focuses on how to aggregate many consistent logical formulas into one, from the perspective of logic. We try to start with judgment aggregation model based on logic and then explore different solutions to problem of judgment aggregation.

  11. Application of an electronic bulletin board, as a mechanism of coordination of actions in complex systems - reference model

    Directory of Open Access Journals (Sweden)

    Katarzyna Grzybowska

    2015-06-01

    Full Text Available Background: In her previous research, the author of this publication indicates that coordination is a dependent variable which has a great driving force and is a very unstable factor. This results in the fact that all of the actions connected with coordination have an impact on other factors of cooperation as well as the integration of the enterprises in the structures of a supply chain type structure. Material and methods:  The article has been divided into two basic parts. The first part regards the reference models in complex systems (supply chain systems. They can constitute a starting point for the modelling of target processes in the built supply chain structure. The second part presents template process models (Reference Models for selected action coordination mechanisms during enterprise cooperation. The aim of the article is the presentation the model an Electronic Bulletin Board (EBB, as a mechanism of coordination of actions in complex systems. Results: The article was prepared on the basis of literature from the researched area. The material was also prepared on the basis of interviews with practitioners. They have allowed for the preparation of template process models (Reference Models for selected action coordination methods in the supply chain. Conclusions: The result of the work is a prepared model as well as its description in the use of IDEF0. The presented model is a demonstrative model. The proposed reference model makes it possible to define the parameters of a selected mechanism of coordination of actions, and forms a basis for affecting the progression of the process through an analysis of values of identified parameters. The parameterization of elements constitutes the foundation for the monitoring of the process via 1 unambiguous identification of the object of monitoring and 2 analysis of different variants of the progression of the process.

  12. A study of concrete properties using phyllite as coarse aggregates

    International Nuclear Information System (INIS)

    Adom-Asamoah, Mark; Afrifa, Russell Owusu

    2010-01-01

    Nowadays, industrial activities generate a huge amount of waste. One such activity is underground mining which generates phyllite wastes that are recycled as coarse aggregates for use in concrete production. Aggregate use in concrete is dependent on availability. This paper reports of an experimental study on some of the physical and mechanical properties of phyllite aggregate concrete as compared to granite (conventional) aggregate concrete. The obtained physical and mechanical properties of both aggregates for specific gravity, water absorption (%), dry density, aggregate impact value (%), aggregate crushing value (%), 10% fines, elongation index (%), flakiness index (%) and Los Angeles abrasion values satisfied minimum requirements for aggregates suitable for concrete production. Five mixes of concrete mix proportions designated M1, M2, M3, M4 and M5 were cast using phyllite and granite aggregates. A total of 400 concrete cubes and 210 modulus of rupture beams were cast and cured by total submerging in water for ages 3, 7, 14, 28, 56, 90, 180 and 360 days before compression and bending tests were performed. The results show that the trends in the development of compressive and bending strengths of plain phyllite concrete were similar to those in granite (conventional) aggregate concrete. However the compressive and bending strengths of phyllite concrete mixes were on the average 15-20% lower than those of the corresponding granite concrete mixes at all ages. The same concrete mix proportions gave lower concrete classes for phyllite compared to granite with the exception of the lowest grade. This was probably because the flakiness and elongation properties coupled with reactive materials in phyllite aggregates affect the absorption and bond characteristics of its concrete.

  13. Sand Cement Brick Containing Recycled Concrete Aggregate as Fine-Aggregate Replacement

    Directory of Open Access Journals (Sweden)

    Sheikh Khalid Faisal

    2017-01-01

    Full Text Available Nowadays, the usage amount of the concrete is increasing drastically. The construction industry is a huge consumer of natural consumer. It is also producing the huge wastage products. The usage of concrete has been charged to be not environmentally friendly due to depletion of reserve natural resources, high energy consumption and disposal issues. The conservation of natural resources and reduction of disposal site by reuse and recycling waste material was interest possibilites. The aim of this study is to determine the physical and mechanical properties of sand cement brick containing recycled concrete aggregate and to determine the optimum mix ratio containing recycled concrete aggregate. An experiment done by comparing the result of control specimen using 100% natural sand with recycled concrete aggregate replacement specimen by weight for 55%, 65%, and 75%. The sample was tested under density, compressive strength, flexural strength and water absorption to study the effect of using recycled concrete aggregate on the physical and mechanical properties of bricks. The result shows that the replacement of natural sand by recycled concrete aggregate at the level of 55% provide the highest compressive and flexural strength compared to other percentage and control specimen. However, if the replacement higher than 55%, the strength of brick was decreased for compressive and flexural strength, respectively. The relationship of compressive-flexural strength is determined from statistical analysis and the predicted result can be obtained by using equation ff,RCA = 0.5375 (fc0.3272.

  14. Entrapment of Aβ1-40 peptide in unstructured aggregates

    International Nuclear Information System (INIS)

    Corsale, C; Carrotta, R; Mangione, M R; Vilasi, S; Provenzano, A; Bulone, D; San Biagio, P L; Cavallaro, G

    2012-01-01

    Recognizing the complexity of the fibrillogenesis process provides a solid ground for the development of therapeutic strategies aimed at preventing or inhibiting protein-protein aggregation. Under this perspective, it is meaningful to identify the possible aggregation pathways and their relative products. We found that Aβ-peptide dissolved in a pH 7.4 solution at small peptide concentration and low ionic strength forms globular aggregates without typical amyloid β-conformation. ThT binding kinetics was used to monitor aggregate formation. Circular dichroism spectroscopy, AFM imaging, static and dynamic light scattering were used for structural and morphological characterization of the aggregates. They appear stable or at least metastable with respect to fiber growth, therefore appearing as an incidental product in the pathway of fibrillogenesis. (paper)

  15. Development of the mechanical engineering complex on the basis of the improvement of large and small businesses relations

    Directory of Open Access Journals (Sweden)

    Sokolova Svetlana

    2017-01-01

    Full Text Available Condition, pace and character of the development of the mechanical engineering complex is in many aspects a crucial factor for the social and economic situation of any country. The development of market relations, changes of the conditions of doing business encourage the enterprises to search new managerial methods and to improve the interaction forms. In this respect the display of the peculiarities of the interaction of large machine engineering enterprises and small business in this sphere and also the assessment of the relationship of their development is an important and crucial issue under modern conditions. The most widely spread forms of the cooperation of large scale mechanical engineering enterprises and small businesses of the industry are: outsourcing, franchising, leasing, subcontracting, venture financing, creation of regional forms of the cooperation of large and small firms. However cooperation processes of large scale and small entrepreneurship in Russia are not properly developed. The authors determine the factors hindering the growth of the machine building industry, suggest the recommendations for the development of the large scale enterprises and small business in the industry, substantiate the role of the government in this process. Besides the mechanism of the state support of the development of small business is described.

  16. Systematic reduction of complex tropospheric chemical mechanisms, Part II: Lumping using a time-scale based approach

    Directory of Open Access Journals (Sweden)

    L. E. Whitehouse

    2004-01-01

    Full Text Available This paper presents a formal method of species lumping that can be applied automatically to intermediate compounds within detailed and complex tropospheric chemical reaction schemes. The method is based on grouping species with reference to their chemical lifetimes and reactivity structures. A method for determining the forward and reverse transformations between individual and lumped compounds is developed. Preliminary application to the Leeds Master Chemical Mechanism (MCMv2.0 has led to the removal of 734 species and 1777 reactions from the scheme, with minimal degradation of accuracy across a wide range of test trajectories relevant to polluted tropospheric conditions. The lumped groups are seen to relate to groups of peroxy acyl nitrates, nitrates, carbonates, oxepins, substituted phenols, oxeacids and peracids with similar lifetimes and reaction rates with OH. In combination with other reduction techniques, such as sensitivity analysis and the application of the quasi-steady state approximation (QSSA, a reduced mechanism has been developed that contains 35% of the number of species and 40% of the number of reactions compared to the full mechanism. This has led to a speed up of a factor of 8 in terms of computer calculation time within box model simulations.

  17. Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex

    Directory of Open Access Journals (Sweden)

    Walaa Oweis

    2016-09-01

    Full Text Available Modification of proteins by ubiquitin or ubiquitin-like proteins (UBLs is a critical cellular process implicated in a variety of cellular states and outcomes. A prerequisite for target protein modification by a UBL is the activation of the latter by activating enzymes (E1s. Here, we present the crystal structure of the non-canonical homodimeric E1, UBA5, in complex with its cognate UBL, UFM1, and supporting biochemical experiments. We find that UBA5 binds to UFM1 via a trans-binding mechanism in which UFM1 interacts with distinct sites in both subunits of the UBA5 dimer. This binding mechanism requires a region C-terminal to the adenylation domain that brings UFM1 to the active site of the adjacent UBA5 subunit. We also find that transfer of UFM1 from UBA5 to the E2, UFC1, occurs via a trans mechanism, thereby requiring a homodimer of UBA5. These findings explicitly elucidate the role of UBA5 dimerization in UFM1 activation.

  18. Aggregation performance of CdO grains grown on surface of N silicon crystal

    International Nuclear Information System (INIS)

    Zhang Jizhong; Zhao Huan

    2010-01-01

    Four kinds of aggregation patterns of CdO grains were formed on the surface of N silicon substrate heated at 580 deg. C for 1 h in an evaporation-deposition device. They were ellipse-shaped or quasi-circular-shaped aggregate, long ribbon-shaped aggregate, long chain-shaped or long double-chain-shaped aggregate, and long ellipse-chain-shaped aggregate. These aggregates consisted of numerous grains or tiny crystals, and deposited on top of the CdO bush-like long crystal clusters grown earlier. They exhibited clearly spontaneous self-organization aggregation performance. Surface defects of the virgin N silicon crystal were analyzed, and mechanism of the self-organization aggregation was discussed with a defect induced aggregation (DIA) model.

  19. Investigating Arsenic Mobilization Mechanisms as well as Complexation Between Arsenic and Polysulfides Associated With a Bangladeshi Rice Paddy

    Science.gov (United States)

    Lin, T.; Kampalath, R.; Jay, J.

    2009-12-01

    The presence of arsenic in the groundwater has led to the largest environmental poisoning in history. Although it is a worldwide issue that affects numerous countries, including Taiwan, Bangladesh, India, China, Mexico, Peru, Australia, and the United States, the issue is of greatest concern in the West Bengal region. In the Ganges Delta, as many as 2 million people are diagnosed with arsenicosis each year. The World Health Organization (WHO) estimates 200,000 to 270,000 arsenic-induced cancer-related deaths in Bangladesh alone. More than 100 million people in the country consume groundwater that exceeds the WHO limit as 50% of the 8 million wells contain groundwater with more than 10 μg/L. Despite the tragic public health implications of this problem, we do not yet have a complete answer to the question of why dissolved arsenic concentrations are so high in the groundwater of the Ganges Delta. Since 1999, we have been intensively studying a field site in Munshiganj, Bangladesh with extremely high levels of arsenic in groundwater (up to 1.2 mg/L). Sediment cores were collected from two locations at the field site: 1) the rice paddy and 2) edge of a nearby irrigation pond. Recharge from irrigation ponds have recently been hypothesized to be an important site of arsenic mobilization. Recent work has proposed mineral dissolution under phosphorus-limited conditions as an important mechanism for arsenic mobilization. Using microcosms with paddy and pond sediment, we are comparing arsenic release via this mechanism with that resulting from reduction of iron hydroxides at our site. Concurrently, we are looking at enhanced solubility of As in the presence of polysulfides as the effects of elemental sulfur on As solubility have not been well researched. We hypothesize that the presence of elemental sulfur, and consequent formation of polysulfides, will substantially increase the solubility of orpiment in sulfidic water and that sorption of these complexes will

  20. Influence of mechanical activation on the leaching of non-ferrous metals from a CuPbZn complex concentrate

    Directory of Open Access Journals (Sweden)

    Godoèíková Erika

    2000-09-01

    Full Text Available The aim of study was to research the procedures of copper, lead and zinc leaching from CuPbZn complex sulphide concentrate during the intervention of mechanical activation.Mechanical activation belongs to innovative procedures, which intensifies technological processes by means of creation of new surfaces and making defective structure of solid phase. Mechanical impact on the solid phase is a suitable procedure to ensure the mobility of its structure elements and to accumulate the mechanical energy that is later used in following processes of leaching.This paper deals with the intensification of the chloride and thiourea leaching of copper, lead and zinc from a CuPbZn complex concentrate of Hodruša-Hámre (Slovak deposit by using the mechanical activation in an attritor. Ferric chloride and thiourea were used as leaching reagents. The leaching of the concentrate with ferric chloride solution afforded 23 % recovery of Cu, 99 % of Pb and 28 % of Zn. 9 % recovery of Cu, 17 % of Pb and 3 % of Zn were achieved by the leaching with thiourea. Thus results showed that the extraction of Cu, Zn and also Pb in the case of thiourea leaching was low. The use of milling in the attritor as an innovation method of pretreatment leads to the structural degradation and increasing the surface area of the investigated concentrate from the original value of 0.18 m2g-1 to the maximum value of 4.67 m2g-1. This fact manifested itself in the subsequent process of extraction of Cu, Pb and Zn into the chloride and thiourea solutions. Our results indicate more effective leaching of pretreated concentrate in the chloride medium with recoveries of 84 % Zn and 100 % Pb. In thiourea, the recoveries for Zn and Pb were low, however 99 % Cu can be recovered. In regard to the economy, the extraction of Cu, Pb and Zn was studied in this work with the aspect of minimal energy consumption during milling. The maximum recoveries of non-ferrous metals in the solutions of ferric chloride

  1. Proteins aggregation and human diseases

    International Nuclear Information System (INIS)

    Hu, Chin-Kun

    2015-01-01

    Many human diseases and the death of most supercentenarians are related to protein aggregation. Neurodegenerative diseases include Alzheimer's disease (AD), Huntington's disease (HD), Parkinson's disease (PD), frontotemporallobar degeneration, etc. Such diseases are due to progressive loss of structure or function of neurons caused by protein aggregation. For example, AD is considered to be related to aggregation of Aβ40 (peptide with 40 amino acids) and Aβ42 (peptide with 42 amino acids) and HD is considered to be related to aggregation of polyQ (polyglutamine) peptides. In this paper, we briefly review our recent discovery of key factors for protein aggregation. We used a lattice model to study the aggregation rates of proteins and found that the probability for a protein sequence to appear in the conformation of the aggregated state can be used to determine the temperature at which proteins can aggregate most quickly. We used molecular dynamics and simple models of polymer chains to study relaxation and aggregation of proteins under various conditions and found that when the bending-angle dependent and torsion-angle dependent interactions are zero or very small, then protein chains tend to aggregate at lower temperatures. All atom models were used to identify a key peptide chain for the aggregation of insulin chains and to find that two polyQ chains prefer anti-parallel conformation. It is pointed out that in many cases, protein aggregation does not result from protein mis-folding. A potential drug from Chinese medicine was found for Alzheimer's disease. (paper)

  2. Information Aggregation and Investment Decisions

    OpenAIRE

    Christian Hellwig; Aleh Tsyvinski; Elias Albagli

    2010-01-01

    This paper studies an environment in which information aggregation interacts with investment decisions. The first contribution of the paper is to develop a tractable model of such interactions. The second contribution is to solve the model in closed form and derive a series of implications that result from the interplay between information aggregation and the value of market information for the firms' decision problem. We show that the model generates an information aggregation wedge between ...

  3. Molecular origin of polyglutamine aggregation in neurodegenerative diseases.

    Directory of Open Access Journals (Sweden)

    2005-08-01

    Full Text Available Expansion of polyglutamine (polyQ tracts in proteins results in protein aggregation and is associated with cell death in at least nine neurodegenerative diseases. Disease age of onset is correlated with the polyQ insert length above a critical value of 35-40 glutamines. The aggregation kinetics of isolated polyQ peptides in vitro also shows a similar critical-length dependence. While recent experimental work has provided considerable insights into polyQ aggregation, the molecular mechanism of aggregation is not well understood. Here, using computer simulations of isolated polyQ peptides, we show that a mechanism of aggregation is the conformational transition in a single polyQ peptide chain from random coil to a parallel beta-helix. This transition occurs selectively in peptides longer than 37 glutamines. In the beta-helices observed in simulations, all residues adopt beta-strand backbone dihedral angles, and the polypeptide chain coils around a central helical axis with 18.5 +/- 2 residues per turn. We also find that mutant polyQ peptides with proline-glycine inserts show formation of antiparallel beta-hairpins in their ground state, in agreement with experiments. The lower stability of mutant beta-helices explains their lower aggregation rates compared to wild type. Our results provide a molecular mechanism for polyQ-mediated aggregation.

  4. Denitrification in Soil Aggregate Analogues-Effect of Aggregate Size and Oxygen Diffusion

    Directory of Open Access Journals (Sweden)

    Steffen Schlüter

    2018-04-01

    Full Text Available Soil-borne nitrous oxide (N2O emissions have a high spatial and temporal variability which is commonly attributed to the occurrence of hotspots and hot moments for microbial activity in aggregated soil. Yet there is only limited information about the biophysical processes that regulate the production and consumption of N2O on microscopic scales in undisturbed soil. In this study, we introduce an experimental framework relying on simplified porous media that circumvents some of the complexities occuring in natural soils while fully accounting for physical constraints believed to control microbial activity in general and denitrification in particular. We used this framework to explore the impact of aggregate size and external oxygen concentration on the kinetics of O2 consumption, as well as CO2 and N2O production. Model aggregates of different sizes (3.5 vs. 7 mm diameter composed of porous, sintered glass were saturated with a defined growth medium containing roughly 109 cells ml−1 of the facultative anaerobic, nosZ-deficient denitrifier Agrobacterium tumefaciens with N2O as final denitrification product and incubated at five different oxygen levels (0–13 vol-%. We demonstrate that the onset of denitrification depends on the amount of external oxygen and the size of aggregates. Smaller aggregates were better supplied with oxygen due to a larger surface-to-volume ratio, which resulted in faster growth and an earlier onset of denitrification. In larger aggregates, the onset of denitrification was more gradual, but with comparably higher N2O production rates once the anoxic aggregate centers were fully developed. The normalized electron flow from the reduced carbon substrate to N-oxyanions (edenit-/etotal- ratio could be solely described as a function of initial oxygen concentration in the headspace with a simple, hyperbolic model, for which the two empirical parameters changed with aggregate size in a consistent way. These findings confirm the

  5. Intrinsically disordered proteins aggregate at fungal cell-to-cell channels and regulate intercellular connectivity.

    Science.gov (United States)

    Lai, Julian; Koh, Chuan Hock; Tjota, Monika; Pieuchot, Laurent; Raman, Vignesh; Chandrababu, Karthik Balakrishna; Yang, Daiwen; Wong, Limsoon; Jedd, Gregory

    2012-09-25

    Like animals and plants, multicellular fungi possess cell-to-cell channels (septal pores) that allow intercellular communication and transport. Here, using a combination of MS of Woronin body-associated proteins and a bioinformatics approach that identifies related proteins based on composition and character, we identify 17 septal pore-associated (SPA) proteins that localize to the septal pore in rings and pore-centered foci. SPA proteins are not homologous at the primary sequence level but share overall physical properties with intrinsically disordered proteins. Some SPA proteins form aggregates at the septal pore, and in vitro assembly assays suggest aggregation through a nonamyloidal mechanism involving mainly α-helical and disordered structures. SPA loss-of-function phenotypes include excessive septation, septal pore degeneration, and uncontrolled Woronin body activation. Together, our data identify the septal pore as a complex subcellular compartment and focal point for the assembly of unstructured proteins controlling diverse aspects of intercellular connectivity.

  6. Enzyme Mechanism and Slow-Onset Inhibition of Plasmodium falciparum Enoyl-Acyl Carrier Protein Reductase by an Inorganic Complex

    Science.gov (United States)

    de Medeiros, Patrícia Soares de Maria; Ducati, Rodrigo Gay; Basso, Luiz Augusto; Santos, Diógenes Santiago; da Silva, Luiz Hildebrando Pereira

    2011-01-01

    Malaria continues to be a major cause of children's morbidity and mortality worldwide, causing nearly one million deaths annually. The human malaria parasite, Plasmodium falciparum, synthesizes fatty acids employing the Type II fatty acid biosynthesis system (FAS II), unlike humans that rely on the Type I (FAS I) pathway. The FAS II system elongates acyl fatty acid precursors of the cell membrane in Plasmodium. Enoyl reductase (ENR) enzyme is a member of the FAS II system. Here we present steady-state kinetics, pre-steady-state kinetics, and equilibrium fluorescence spectroscopy data that allowed proposal of P. falciparum ENR (PfENR) enzyme mechanism. Moreover, building on previous results, the present study also evaluates the PfENR inhibition by the pentacyano(isoniazid)ferrateII compound. This inorganic complex represents a new class of lead compounds for the development of antimalarial agents focused on the inhibition of PfENR. PMID:21603269

  7. Stay connected: Electrical conductivity of microbial aggregates.

    Science.gov (United States)

    Li, Cheng; Lesnik, Keaton Larson; Liu, Hong

    2017-11-01

    The discovery of direct extracellular electron transfer offers an alternative to the traditional understanding of diffusional electron exchange via small molecules. The establishment of electronic connections between electron donors and acceptors in microbial communities is critical to electron transfer via electrical currents. These connections are facilitated through conductivity associated with various microbial aggregates. However, examination of conductivity in microbial samples is still in its relative infancy and conceptual models in terms of conductive mechanisms are still being developed and debated. The present review summarizes the fundamental understanding of electrical conductivity in microbial aggregates (e.g. biofilms, granules, consortia, and multicellular filaments) highlighting recent findings and key discoveries. A greater understanding of electrical conductivity in microbial aggregates could facilitate the survey for additional microbial communities that rely on direct extracellular electron transfer for survival, inform rational design towards the aggregates-based production of bioenergy/bioproducts, and inspire the construction of new synthetic conductive polymers. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation.

    Directory of Open Access Journals (Sweden)

    Peter Rellos

    2010-07-01

    Full Text Available Long-term potentiation (LTP, a long-lasting enhancement in communication between neurons, is considered to be the major cellular mechanism underlying learning and memory. LTP triggers high-frequency calcium pulses that result in the activation of Calcium/Calmodulin (CaM-dependent kinase II (CaMKII. CaMKII acts as a molecular switch because it remains active for a long time after the return to basal calcium levels, which is a unique property required for CaMKII function. Here we describe the crystal structure of the human CaMKIIdelta/Ca2+/CaM complex, structures of all four human CaMKII catalytic domains in their autoinhibited states, as well as structures of human CaMKII oligomerization domains in their tetradecameric and physiological dodecameric states. All four autoinhibited human CaMKIIs were monomeric in the determined crystal structures but associated weakly in solution. In the CaMKIIdelta/Ca2+/CaM complex, the inhibitory region adopted an extended conformation and interacted with an adjacent catalytic domain positioning T287 into the active site of the interacting protomer. Comparisons with autoinhibited CaMKII structures showed that binding of calmodulin leads to the rearrangement of residues in the active site to a conformation suitable for ATP binding and to the closure of the binding groove for the autoinhibitory helix by helix alphaD. The structural data, together with biophysical interaction studies, reveals the mechanism of CaMKII activation by calmodulin and explains many of the unique regulatory properties of these two essential signaling molecules.This article can also be viewed as an enhanced version in which the text of the article is integrated with interactive 3-D representations and animated transitions. Please note that a web plugin is required to access this enhanced functionality. Instructions for the installation and use of the Web plugin are available in Text S1.

  9. Multistructure index in revealing complexity of regulatory mechanisms of human cardiovascular system at rest and orthostatic stress in healthy humans

    Science.gov (United States)

    Makowiec, Danuta; Graff, Beata; Struzik, Zbigniew R.

    2017-02-01

    Biological regulation is sufficiently complex to pose an enduring challenge for characterization of both its equilibrium and transient non-equilibrium dynamics. Two univariate but coupled observables, heart rate and systolic blood pressure, are commonly characterized in the benchmark example of the human cardiovascular regulatory system. Asymmetric distributions of accelerations and decelerations of heart rate, as well as rises and falls in systolic blood pressure, recorded in humans during a head-up tilt test provide insights into the dynamics of cardiovascular response to a rapid, controlled deregulation of the system's homeostasis. The baroreflex feedback loop is assumed to be the fundamental physiological mechanism for ensuring homeostatic blood supply to distant organs at rest and during orthostatic stress, captured in a classical beat-to-beat autoregressive model of baroreflex by de Boer et al. (1987). For model corroboration, a multistructure index statistic is proposed, seamlessly evaluating the size spectrum of magnitudes of neural reflexes such as baroreflex, responsible for maintaining the homeostatic dynamics. The multistructure index exposes a distinctly different dynamics of multiscale asymmetry between results obtained from real-life signals recorded from healthy subjects and those simulated using both the classical and perturbed versions of the model. Nonlinear effects observed suggest the pronounced presence of complex mechanisms resulting from baroreflex regulation when a human is at rest, which is aggravated in the system's response to orthostatic stress. Using our methodology of multistructure index, we therefore show a marked difference between model and real-life scenarios, which we attribute to multiscale asymmetry of non-linear origin in real-life signals, which we are not reproducible by the classical model.

  10. Acoustic emission monitoring of recycled aggregate concrete under bending

    Science.gov (United States)

    Tsoumani, A. A.; Barkoula, N.-M.; Matikas, T. E.

    2015-03-01

    The amount of construction and demolition waste has increased considerably over the last few years, making desirable the reuse of this waste in the concrete industry. In the present study concrete specimens are subjected at the age of 28 days to four-point bending with concurrent monitoring of their acoustic emission (AE) activity. Several concrete mixtures prepared using recycled aggregates at various percentages of the total coarse aggregate and also a reference mix using natural aggregates, were included to investigate their influence of the recycled aggregates on the load bearing capacity, as well as on the fracture mechanisms. The results reveal that for low levels of substitution the influence of using recycled aggregates on the flexural strength is negligible while higher levels of substitution lead into its deterioration. The total AE activity, as well as the AE signals emitted during failure, was related to flexural strength. The results obtained during test processing were found to be in agreement with visual observation.

  11. STUDY ON IMPACT AND TENSILE PROPERTIES OF CONCRETE WITH COCONUT SHELL AS COARSE AGGREGATE

    OpenAIRE

    R. Ranjith*

    2017-01-01

    The mechanical properties of coconut shell aggregate concrete (CSAC) namely splitting tensile strength, impact strength have been determined and a comparison is made with conventional granite aggregate concrete (CGAC) in the 30 days short-term experimental investigation. From the test results it is observed that coconut shell aggregate concrete has considerably sufficient strength. But the splitting tensile strength of coconut shell aggregate concrete is 50 % less than that of conventional gr...

  12. The N400 and Late Positive Complex (LPC Effects Reflect Controlled Rather than Automatic Mechanisms of Sentence Processing

    Directory of Open Access Journals (Sweden)

    Boris Kotchoubey

    2012-08-01

    Full Text Available This study compared automatic and controlled cognitive processes that underlie event-related potentials (ERPs effects during speech perception. Sentences were presented to French native speakers, and the final word could be congruent or incongruent, and presented at one of four levels of degradation (using a modulation with pink noise: no degradation, mild degradation (2 levels, or strong degradation. We assumed that degradation impairs controlled more than automatic processes. The N400 and Late Positive Complex (LPC effects were defined as the differences between the corresponding wave amplitudes to incongruent words minus congruent words. Under mild degradation, where controlled sentence-level processing could still occur (as indicated by behavioral data, both N400 and LPC effects were delayed and the latter effect was reduced. Under strong degradation, where sentence processing was rather automatic (as indicated by behavioral data, no ERP effect remained. These results suggest that ERP effects elicited in complex contexts, such as sentences, reflect controlled rather than automatic mechanisms of speech processing. These results differ from the results of experiments that used word-pair or word-list paradigms.

  13. An evaluation of factors influencing pore pressure in accretionary complexes: Implications for taper angle and wedge mechanics

    Science.gov (United States)

    Saffer, D.M.; Bekins, B.A.

    2006-01-01

    At many subduction zones, accretionary complexes form as sediment is off-scraped from the subducting plate. Mechanical models that treat accretionary complexes as critically tapered wedges of sediment demonstrate that pore pressure controls their taper angle by modifying basal and internal shear strength. Here, we combine a numerical model of groundwater flow with critical taper theory to quantify the effects of sediment and de??collement permeability, sediment thickness, sediment partitioning between accretion and underthrusting, and plate convergence rate on steady state pore pressure. Our results show that pore pressure in accretionary wedges can be viewed as a dynamically maintained response to factors which drive pore pressure (source terms) and those that limit flow (permeability and drainage path length). We find that sediment permeability and incoming sediment thickness are the most important factors, whereas fault permeability and the partitioning of sediment have a small effect. For our base case model scenario, as sediment permeability is increased, pore pressure decreases from near-lithostatic to hydrostatic values and allows stable taper angles to increase from ??? 2.5?? to 8??-12.5??. With increased sediment thickness in our models (from 100 to 8000 m), increased pore pressure drives a decrease in stable taper angle from 8.4??-12.5?? to 15?? to <4??) with increased sediment thickness (from <1 to 7 km). One key implication is that hydrologic properties may strongly influence the strength of the crust in a wide range of geologic settings. Copyright 2006 by the American Geophysical Union.

  14. Kinetics and mechanism of reduction of iron(iii) kojic acid complex by hydroquinone and l-cysteine

    International Nuclear Information System (INIS)

    Hussain, Z.; Perviaz, M.; Kazmi, S.A.; Johnson, A.S.; Offiong, O.E.

    2014-01-01

    The effect of pH on the kinetics of reduction of iron(III) kojic acid complex by hydroquinone (H/sub 2/Q) and L-cysteine (L-Cys) was studied in the pH range of 2.34 - 4.03 for H/sub 2/Q and 3.04 - 5.5 for L-cysteine at ionic strength of 0.5 M and at 35 degree C. The pseudo-first order rate constants for the reduction of Fe(KA)3 by L-cysteine and hydroquinone increase linearly with increasing reductant concentration, indicating first-order kinetics in reductant concentration. However, whereas the rate of reduction by H2Q increases with increasing pH, an opposite trend was observed in the case of reduction by L-cysteine. Plausible rate laws and mechanisms have been proposed in line with these observations. Activation parameters (delta H no and delta S no) were evaluated for the reduction of iron (III) kojic acid complex by cysteine and the values obtained are 35.25 kJmol-1, -141.4 JK-1mol-1 and 28.14 kJmol-1 , 161.2 JK-1mol-1 for pH 4.5 and 3.52 respectively. (author)

  15. A Potential Bone-Targeting Hypotoxic Platinum(II) Complex with an Unusual Cytostatic Mechanism toward Osteosarcoma Cells.

    Science.gov (United States)

    Zhang, Zhenqin; Zhu, Zhenzhu; Luo, Cheng; Zhu, Chengcheng; Zhang, Changli; Guo, Zijian; Wang, Xiaoyong

    2018-03-19

    Osteosarcoma (OS) is the most common primary pediatric bone tumor lethal to children and adolescents. Chemotherapeutic agents such as cisplatin are not effective for OS because of their poor accessibility to this cancer and severe systemic toxicity. In this study, a lipophilic platinum(II) complex bearing a bisphosphonate bone-targeting moiety, cis-[PtL(NH 3 ) 2 Cl]NO 3 {BPP; L = tetraethyl [2-(pyridin-2-yl)ethane-1,1-diyl]bisphosphonate}, was prepared and characterized by NMR, electrospray ionization mass spectrometry, and single-crystal X-ray crystallography. The cytotoxicity of BPP toward OS cell lines U2OS and MG-63 was tested by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. BPP exhibits moderate inhibition against U2OS cells through a mechanism involving both DNA binding and a mevalonate pathway. The acute toxicity of BPP to mice is 7-fold lower than that of cisplatin. The relative low systemic toxicity may result from the steric hindrance of the ligand, which blocks BPP approaching the bases of DNA. The results suggest that incorporating bisphosphonates into a platinum complex not only enhances its bone-targeting property but also minimizes its reactivity toward DNA and thereby lowers the systematic toxicity of the complex. The diminished cytotoxicity of BPP could be compensated for by increasing the therapeutic dose with marginal harm. This strategy provides a new possibility for overcoming the ineffectiveness and systemic toxicity of platinum drugs in the treatment of OS.

  16. Molecular dynamics simulations of interfacial interactions between small nanoparticles during diffusion-limited aggregation

    International Nuclear Information System (INIS)

    Lu, Jing; Liu, Dongmei; Yang, Xiaonan; Zhao, Ying; Liu, Haixing; Tang, Huan; Cui, Fuyi

    2015-01-01

    Graphical abstract: - Highlights: • Diffusion-limited aggregation is analyzed using molecular dynamic simulations. • The aggregation processand aggregate structure vary with particle size. • Particle-particle interaction and surface diffusion result in direct bonding. • Water-mediated interaction is responsible for the separation betweennanoparticles. - Abstract: Due to the limitations of experimental methods at the atomic level, research on the aggregation of small nanoparticles (D < 5 nm) in aqueous solutions is quite rare. The aggregation of small nanoparticles in aqueous solutions is very different than that of normal sized nanoparticles. The interfacial interactions play a dominant role in the aggregation of small nanoparticles. In this paper, molecular dynamics simulations, which can explore the microscopic behavior of nanoparticles during the diffusion-limited aggregation at an atomic level, were employed to reveal the aggregation mechanism of small nanoparticles in aqueous solutions. First, the aggregation processes and aggregate structure were depicted. Second, the particle–particle interaction and surface diffusion of nanoparticles during aggregation were investigated. Third, the water-mediated interactions during aggregation were ascertained. The results indicate that the aggregation of nanoparticle in aqueous solutions is affected by particle size. The strong particle–particle interaction and high surface diffusion result in the formation of particle–particle bonds of 2 nm TiO 2 nanoparticles, and the water-mediated interaction plays an important role in the aggregation process of 3 and 4 nm TiO 2 nanoparticles.

  17. Structure and dynamics of the uranyl tricarbonate complex in aqueous solution: insights from quantum mechanical charge field molecular dynamics.

    Science.gov (United States)

    Tirler, Andreas O; Hofer, Thomas S

    2014-11-13

    This investigation presents the characterization of structural and dynamical properties of uranyl tricarbonate in aqueous solution employing an extended hybrid quantum mechanical/molecular mechanical (QM/MM) approach. It is shown that the inclusion of explicit solvent molecules in the quantum chemical treatment is essential to mimic the complex interaction occurring in an aqueous environment. Thus, in contrast to gas phase cluster calculations on a quantum chemical level proposing a 6-fold coordination of the three carbonates, the QMCF MD simulation proposes a 5-fold coordination. An extensive comparison of the simulation results to structural and dynamical data available in the literature was found to be in excellent agreement. Furthermore, this work is the first theoretical study on a quantum chemical level of theory able to observe the conversion of carbonate (CO₃²⁻) to bicarbonate (HCO₃⁻) in the equatorial coordination sphere of the uranyl ion. From a comparison of the free energy ΔG values for the unprotonated educt [UO₂(CO₃)₃]⁴⁻ and the protonated [UO₂(CO₃)₂(HCO₃)]³⁻, it could be concluded that the reaction equilibrium is strongly shifted toward the product state confirming the benignity for the observed protonation reaction. Structural properties and the three-dimensional arrangement of carbonate ligands were analyzed via pair-, three-body, and angular distributions, the dynamical properties were evaluated by hydrogen-bond correlation functions and vibrational power spectra.

  18. Double-stranded DNA translocase activity of transcription factor TFIIH and the mechanism of RNA polymerase II open complex formation.

    Science.gov (United States)

    Fishburn, James; Tomko, Eric; Galburt, Eric; Hahn, Steven

    2015-03-31

    Formation of the RNA polymerase II (Pol II) open complex (OC) requires DNA unwinding mediated by the transcription factor TFIIH helicase-related subunit XPB/Ssl2. Because XPB/Ssl2 binds DNA downstream from the location of DNA unwinding, it cannot function using a conventional helicase mechanism. Here we show that yeast TFIIH contains an Ssl2-dependent double-stranded DNA translocase activity. Ssl2 tracks along one DNA strand in the 5' → 3' direction, implying it uses the nontemplate promoter strand to reel downstream DNA into the Pol II cleft, creating torsional strain and leading to DNA unwinding. Analysis of the Ssl2 and DNA-dependent ATPase activity of TFIIH suggests that Ssl2 has a processivity of approximately one DNA turn, consistent with the length of DNA unwound during transcription initiation. Our results can explain why maintaining the OC requires continuous ATP hydrolysis and the function of TFIIH in promoter escape. Our results also suggest that XPB/Ssl2 uses this translocase mechanism during DNA repair rather than physically wedging open damaged DNA.

  19. The fidelity of synaptonemal complex assembly is regulated by a signaling mechanism that controls early meiotic progression.

    Science.gov (United States)

    Silva, Nicola; Ferrandiz, Nuria; Barroso, Consuelo; Tognetti, Silvia; Lightfoot, James; Telecan, Oana; Encheva, Vesela; Faull, Peter; Hanni, Simon; Furger, Andre; Snijders, Ambrosius P; Speck, Christian; Martinez-Perez, Enrique

    2014-11-24

    Proper chromosome segregation during meiosis requires the assembly of the synaptonemal complex (SC) between homologous chromosomes. However, the SC structure itself is indifferent to homology, and poorly understood mechanisms that depend on conserved HORMA-domain proteins prevent ectopic SC assembly. Although HORMA-domain proteins are thought to regulate SC assembly as intrinsic components of meiotic chromosomes, here we uncover a key role for nuclear soluble HORMA-domain protein HTP-1 in the quality control of SC assembly. We show that a mutant form of HTP-1 impaired in chromosome loading provides functionality of an HTP-1-dependent checkpoint that delays exit from homology search-competent stages until all homolog pairs are linked by the SC. Bypassing of this regulatory mechanism results in premature meiotic progression and licensing of homology-independent SC assembly. These findings identify nuclear soluble HTP-1 as a regulator of early meiotic progression, suggesting parallels with the mode of action of Mad2 in the spindle assembly checkpoint. Copyright © 2014 Elsevier Inc. All rights reserved.

  20. Coupling of aggregation and immunogenicity in biotherapeutics: T- and B-cell immune epitopes may contain aggregation-prone regions.

    Science.gov (United States)

    Kumar, Sandeep; Singh, Satish K; Wang, Xiaoling; Rup, Bonita; Gill, Davinder

    2011-05-01

    Biotherapeutics, including recombinant or plasma-derived human proteins and antibody-based molecules, have emerged as an important class of pharmaceuticals. Aggregation and immunogenicity are among the major bottlenecks during discovery and development of biotherapeutics. Computational tools that can predict aggregation prone regions as well as T- and B-cell immune epitopes from protein sequence and structure have become available recently. Here, we describe a potential coupling between aggregation and immunogenicity: T-cell and B-cell immune epitopes in therapeutic proteins may contain aggregation-prone regions. The details of biological mechanisms behind this observation remain to be understood. However, our observation opens up an exciting potential for rational design of de-immunized novel, as well as follow on biotherapeutics with reduced aggregation propensity.