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Sample records for additional stabilizing interactions

  1. Non-additive increases in sediment stability are generated by macroinvertebrate species interactions in laboratory streams.

    PubMed

    Albertson, Lindsey K; Cardinale, Bradley J; Sklar, Leonard S

    2014-01-01

    Previous studies have shown that biological structures such as plant roots can have large impacts on landscape morphodynamics, and that physical models that do not incorporate biology can generate qualitatively incorrect predictions of sediment transport. However, work to date has focused almost entirely on the impacts of single, usually dominant, species. Here we ask whether multiple, coexisting species of hydropsychid caddisfly larvae have different impacts on sediment mobility compared to single-species systems due to competitive interactions and niche differences. We manipulated the presence of two common species of net-spinning caddisfly (Ceratopsyche oslari, Arctopsyche californica) in laboratory mesocosms and measured how their silk filtration nets influence the critical shear stress required to initiate sediment grain motion when they were in monoculture versus polyculture. We found that critical shear stress increases non-additively in polycultures where species were allowed to interact. Critical shear stress was 26% higher in multi-species assemblages compared to the average single-species monoculture, and 21% greater than levels of stability achieved by the species having the largest impact on sediment motion in monoculture. Supplementary behavioral experiments suggest the non-additive increase in critical shear stress may have occurred as competition among species led to shifts in the spatial distribution of the two populations and complementary habitat use. To explore the implications of these results for field conditions, we used results from the laboratory study to parameterize a common model of sediment transport. We then used this model to estimate potential bed movement in a natural stream for which we had measurements of channel geometry, grain size, and daily discharge. Although this extrapolation is speculative, it illustrates that multi-species impacts could be sufficiently large to reduce bedload sediment flux over annual time scales in

  2. Non-Additive Increases in Sediment Stability Are Generated by Macroinvertebrate Species Interactions in Laboratory Streams

    PubMed Central

    Albertson, Lindsey K.; Cardinale, Bradley J.; Sklar, Leonard S.

    2014-01-01

    Previous studies have shown that biological structures such as plant roots can have large impacts on landscape morphodynamics, and that physical models that do not incorporate biology can generate qualitatively incorrect predictions of sediment transport. However, work to date has focused almost entirely on the impacts of single, usually dominant, species. Here we ask whether multiple, coexisting species of hydropsychid caddisfly larvae have different impacts on sediment mobility compared to single-species systems due to competitive interactions and niche differences. We manipulated the presence of two common species of net-spinning caddisfly (Ceratopsyche oslari, Arctopsyche californica) in laboratory mesocosms and measured how their silk filtration nets influence the critical shear stress required to initiate sediment grain motion when they were in monoculture versus polyculture. We found that critical shear stress increases non-additively in polycultures where species were allowed to interact. Critical shear stress was 26% higher in multi-species assemblages compared to the average single-species monoculture, and 21% greater than levels of stability achieved by the species having the largest impact on sediment motion in monoculture. Supplementary behavioral experiments suggest the non-additive increase in critical shear stress may have occurred as competition among species led to shifts in the spatial distribution of the two populations and complementary habitat use. To explore the implications of these results for field conditions, we used results from the laboratory study to parameterize a common model of sediment transport. We then used this model to estimate potential bed movement in a natural stream for which we had measurements of channel geometry, grain size, and daily discharge. Although this extrapolation is speculative, it illustrates that multi-species impacts could be sufficiently large to reduce bedload sediment flux over annual time scales in

  3. Additive interfacial chiral interaction in multilayers for stabilization of small individual skyrmions at room temperature

    NASA Astrophysics Data System (ADS)

    Moreau-Luchaire, C.; Moutafis, C.; Reyren, N.; Sampaio, J.; Vaz, C. A. F.; van Horne, N.; Bouzehouane, K.; Garcia, K.; Deranlot, C.; Warnicke, P.; Wohlhüter, P.; George, J.-M.; Weigand, M.; Raabe, J.; Cros, V.; Fert, A.

    2016-05-01

    Facing the ever-growing demand for data storage will most probably require a new paradigm. Nanoscale magnetic skyrmions are anticipated to solve this issue as they are arguably the smallest spin textures in magnetic thin films in nature. We designed cobalt-based multilayered thin films in which the cobalt layer is sandwiched between two heavy metals and so provides additive interfacial Dzyaloshinskii-Moriya interactions (DMIs), which reach a value close to 2 mJ m-2 in the case of the Ir|Co|Pt asymmetric multilayers. Using a magnetization-sensitive scanning X-ray transmission microscopy technique, we imaged small magnetic domains at very low fields in these multilayers. The study of their behaviour in a perpendicular magnetic field allows us to conclude that they are actually magnetic skyrmions stabilized by the large DMI. This discovery of stable sub-100 nm individual skyrmions at room temperature in a technologically relevant material opens the way for device applications in the near future.

  4. Robust stability under additive perturbations

    NASA Technical Reports Server (NTRS)

    Bhaya, A.; Desoer, C. A.

    1985-01-01

    A MIMO linear time-invariant feedback system 1S(P,C) is considered which is assumed to be U-stable. The plant P is subjected to an additive perturbation Delta P which is proper but not necessarily stable. It is proved that the perturbed system is U-stable if and only if Delta P(I + Q x Delta P) exp -1 is U-stable.

  5. Stabilization of polyaniline solutions through additives

    DOEpatents

    Wrobleski, Debra A.; Benicewicz, Brian C.

    1996-01-01

    A stabilized non-conductive polyaniline solution comprising from about 1 to bout 10 percent by weight polyaniline or a polyaniline derivative, from about 90 to about 99 percent by weight N-methylpyrrolidone, and from about 0.5 percent by weight to about 15 percent by weight of a solution stabilizing additive selected from the group consisting of hindered amine light stabilizers, polymeric amines, and dialkylamines, percent by weight of additive based on the total weight of polyaniline or polyaniline derivative is provided together with a method for stabilizing a polyaniline solution.

  6. Stabilization of polyaniline solutions through additives

    DOEpatents

    Wrobleski, D.A.; Benicewicz, B.C.

    1996-12-10

    A stabilized non-conductive polyaniline solution comprising from about 1 to about 10 percent by weight polyaniline or a polyaniline derivative, from about 90 to about 99 percent by weight N-methylpyrrolidone, and from about 0.5 percent by weight to about 15 percent by weight of a solution stabilizing additive selected from the group consisting of hindered amine light stabilizers, polymeric amines, and dialkylamines, percent by weight of additive based on the total weight of polyaniline or polyaniline derivative is provided together with a method for stabilizing a polyaniline solution. 4 figs.

  7. Additive interaction between heterogeneous environmental ...

    EPA Pesticide Factsheets

    BACKGROUND Environmental exposures often occur in tandem; however, epidemiological research often focuses on singular exposures. Statistical interactions among broad, well-characterized environmental domains have not yet been evaluated in association with health. We address this gap by conducting a county-level cross-sectional analysis of interactions between Environmental Quality Index (EQI) domain indices on preterm birth in the Unites States from 2000-2005.METHODS: The EQI, a county-level index constructed for the 2000-2005 time period, was constructed from five domain-specific indices (air, water, land, built and sociodemographic) using principal component analyses. County-level preterm birth rates (n=3141) were estimated using live births from the National Center for Health Statistics. Linear regression was used to estimate prevalence differences (PD) and 95% confidence intervals (CI) comparing worse environmental quality to the better quality for each model for a) each individual domain main effect b) the interaction contrast and c) the two main effects plus interaction effect (i.e. the “net effect”) to show departure from additive interaction for the all U.S counties. Analyses were also performed for subgroupings by four urban/rural strata. RESULTS: We found the suggestion of antagonistic interactions but no synergism, along with several purely additive (i.e., no interaction) associations. In the non-stratified model, we observed antagonistic interac

  8. Fibrinogen stability under surfactant interaction.

    PubMed

    Hassan, Natalia; Barbosa, Leandro R S; Itri, Rosangela; Ruso, Juan M

    2011-10-01

    Differential scanning calorimetry (DSC), circular dichroism (CD), difference spectroscopy (UV-vis), Raman spectroscopy, and small-angle X-ray scattering (SAXS) measurements have been performed in the present work to provide a quantitatively comprehensive physicochemical description of the complexation between bovine fibrinogen and the sodium perfluorooctanoate, sodium octanoate, and sodium dodecanoate in glycine buffer (pH 8.5). It has been found that sodium octanoate and dodecanoate act as fibrinogen destabilizer. Meanwhile, sodium perfluorooctanoate acts as a structure stabilizer at low molar concentration and as a destabilizer at high molar concentration. Fibrinogen's secondary structure is affected by all three studied surfactants (decrease in α-helix and an increase in β-sheet content) to a different extent. DSC and UV-vis revealed the existence of intermediate states in the thermal unfolding process of fibrinogen. In addition, SAXS data analysis showed that pure fibrinogen adopts a paired-dimer structure in solution. Such a structure is unaltered by sodium octanoate and perfluoroctanoate. However, interaction of sodium dodecanoate with the fibrinogen affects the protein conformation leading to a complex formation. Taken together, all results evidence that both surfactant hydrophobicity and tail length mediate the fibrinogen stability upon interaction.

  9. Minimum Additive Waste Stabilization (MAWS). Technology summary

    SciTech Connect

    Not Available

    1994-02-01

    In the Minimum Additive Waste Stabilization(MAWS) concept, actual waste streams are utilized as additive resources for vitrification, which may contain the basic components (glass formers and fluxes) for making a suitable glass or glassy slag. If too much glass former is present, then the melt viscosity or temperature will be too high for processing; while if there is too much flux, then the durability may suffer. Therefore, there are optimum combinations of these two important classes of constituents depending on the criteria required. The challenge is to combine these resources in such a way that minimizes the use of non-waste additives yet yields a processable and durable final waste form for disposal. The benefit to this approach is that the volume of the final waste form is minimized (waste loading maximized) since little or no additives are used and vitrification itself results in volume reduction through evaporation of water, combustion of organics, and compaction of the solids into a non-porous glass. This implies a significant reduction in disposal costs due to volume reduction alone, and minimizes future risks/costs due to the long term durability and leach resistance of glass. This is accomplished by using integrated systems that are both cost-effective and produce an environmentally sound waste form for disposal. individual component technologies may include: vitrification; thermal destruction; soil washing; gas scrubbing/filtration; and, ion-exchange wastewater treatment. The particular combination of technologies will depend on the waste streams to be treated. At the heart of MAWS is vitrification technology, which incorporates all primary and secondary waste streams into a final, long-term, stabilized glass wasteform. The integrated technology approach, and view of waste streams as resources, is innovative yet practical to cost effectively treat a broad range of DOE mixed and low-level wastes.

  10. The stability of alloying additions in Zirconium

    NASA Astrophysics Data System (ADS)

    Lumley, S. C.; Murphy, S. T.; Burr, P. A.; Grimes, R. W.; Chard-Tuckey, P. R.; Wenman, M. R.

    2013-06-01

    The interactions of Cr, Fe, Nb, Ni, Sn, V and Y with Zr are simulated using density functional theory. Thermodynamic stabilities of various different Zr based intermetallic compounds, including multiple Laves phase structures and solutions of alloying additions in both α and β-Zr were investigated. The thermodynamic driving forces in this system can be correlated with trends in atomic radii and the relative electronegativities of the different species. Formation energies of Fe, Ni and Sn based intermetallic compounds were found to be negative, and the ZrFe and ZrNi intermetallics were metastable. Most elements displayed negative energies of solution in β-Zr but positive energies in the α-phase, with the exception of Sn (which was negative for both) and Y (which was positive for both). Solutions formed from intermetallics showed a similar trend. Cr -3s23p64s13d5. Fe -4s23d6. Nb -4s24p65s14d4. Ni -4s23d8. Sn -5s25p2. V -3s23p64s23d3. Y -4s24p65s24d1. Zr -4s24p65s24d2. The pseudopotential scheme used is "on-the-fly" generation, in which an isolated all-electron calculation is carried out before the main calculation and used as a starting point to generate a pseudopotential. This was carried out for all pseudopotentials except Cr and V, as the default on-the-fly pseudopotentials for these elements required a much higher cut-off energy. Instead, standard ultrasoft pseudopotentials, as found in the CASTEP pseudopotential library, were used for Cr and V. All pseudopotentials (both on-the-fly and library) are of the ultrasoft type [15], and so are compatible with each-other. Exchange-correlation was modelled using the Perdew, Burke and Ernzerhof formalisation of the Generalised Gradient Approximation [16].A series of simulations were run to establish an appropriate basis set cut-off energy, and the density of sampling in the Brillouin zone. The results were converged to within two decimal places for a cut-off energy of 450 eV and a k-point spacing of 0.003 nm-1. The k

  11. Organic additives stabilize RNA aptamer binding of malachite green.

    PubMed

    Zhou, Yubin; Chi, Hong; Wu, Yuanyuan; Marks, Robert S; Steele, Terry W J

    2016-11-01

    Aptamer-ligand binding has been utilized for biological applications due to its specific binding and synthetic nature. However, the applications will be limited if the binding or the ligand is unstable. Malachite green aptamer (MGA) and its labile ligand malachite green (MG) were found to have increasing apparent dissociation constants (Kd) as determined through the first order rate loss of emission intensity of the MGA-MG fluorescent complex. The fluorescent intensity loss was hypothesized to be from the hydrolysis of MG into malachite green carbinol base (MGOH). Random screening organic additives were found to reduce or retain the fluorescence emission and the calculated apparent Kd of MGA-MG binding. The protective effect became more apparent as the percentage of organic additives increased up to 10% v/v. The mechanism behind the organic additive protective effects was primarily from a ~5X increase in first order rate kinetics of MGOH→MG (kMGOH→MG), which significantly changed the equilibrium constant (Keq), favoring the generation of MG, versus MGOH without organic additives. A simple way has been developed to stabilize the apparent Kd of MGA-MG binding over 24h, which may be beneficial in stabilizing other triphenylmethane or carbocation ligand-aptamer interactions that are susceptible to SN1 hydrolysis.

  12. Contribution of Hydrophobic Interactions to Protein Stability

    PubMed Central

    Pace, C. Nick; Fu, Hailong; Fryar, Katrina Lee; Landua, John; Trevino, Saul R.; Shirley, Bret A.; Hendricks, Marsha McNutt; Iimura, Satoshi; Gajiwala, Ketan; Scholtz, J. Martin; Grimsley, Gerald R.

    2011-01-01

    Our goal was to gain a better understanding of the contribution of hydrophobic interactions to protein stability. We measured the change in conformational stability, Δ(ΔG), for hydrophobic mutants of four proteins: villin head piece subdomain (VHP) with 36 residues, a surface protein from Borrelia burgdorferi (VlsE) with 341 residues, and two proteins previously studied in our laboratory, ribonucleases Sa and T1. We compare our results with previous studies and reach the following conclusions. 1. Hydrophobic interactions contribute less to the stability of a small protein, VHP (0.6 ± 0.3 kcal/mole per –CH2– group), than to the stability of a large protein, VlsE (1.6 ± 0.3 kcal/mol per –CH2– group). 2. Hydrophobic interactions make the major contribution to the stability of VHP (40 kcal/mol) and the major contributors are (in kcal/mol): Phe 18 (3.9), Met 13 (3.1), Phe 7 (2.9), Phe 11 (2.7), and Leu 21 (2.7). 3. Based on Δ(ΔG) values for 148 hydrophobic mutants in 13 proteins, burying a –CH2– group on folding contributes, on average, 1.1 ± 0.5 kcal/mol to protein stability. 4. The experimental Δ(ΔG) values for aliphatic side chains (Ala, Val, Ile, and Leu) are in good agreement with their ΔGtr values from water to cyclohexane. 5. For 22 proteins with 36 to 534 residues, hydrophobic interactions contribute 60 ± 4% and hydrogen bonds 40 ± 4% to protein stability. 6. Conformational entropy contributes about 2.4 kcal/mol per residue to protein instability. The globular conformation of proteins is stabilized predominately by hydrophobic interactions. PMID:21377472

  13. Thermal Decomposition of RP-2 with Stabilizing Additives

    DTIC Science & Technology

    2010-04-01

    RP-2 are that the allowed sulfur content is much lower in RP-2 (0.1 mg/kg, compared to 30 mg/kg in RP-1), the allowed olefin concentration is lower...28,30-35 decahydronaphthalene (decalin), 33,35 and benzyl alcohol . 28,36-38 In related work, a major research effort initiated by the U.S. Air Force...additives (e.g., benzyl alcohol ). We would also like to test the effect of different reactor materials, particularly copper, on the thermal stability of

  14. Uv-Light Stabilization Additive Package For Solar Cell Module And Laminated Glass Applications

    DOEpatents

    Hanoka, Jack I.; Klemchuk, Peter P.

    2002-03-05

    An ultraviolet light stabilization additive package is used in an encapsulant material that may be used in solar cell modules, laminated glass and a variety of other applications. The ultraviolet light stabilization additive package comprises a first hindered amine light stabilizer and a second hindered amine light stabilizer. The first hindered amine light stabilizer provides thermal oxidative stabilization, and the second hindered amine light stabilizer providing photo-oxidative stabilization.

  15. Stability improvement of natural food colors: Impact of amino acid and peptide addition on anthocyanin stability in model beverages.

    PubMed

    Chung, Cheryl; Rojanasasithara, Thananunt; Mutilangi, William; McClements, David Julian

    2017-03-01

    Anthocyanins are prone to chemical degradation and color fading in the presence of vitamin C. The potential of three amino acids (l-phenylalanine, l-tyrosine, l-tryptophan) and a polypeptide (ε-poly-l-lysine) in prolonging the color stability of purple carrot anthocyanins (0.025%) in model beverages (0.05% l-ascorbic acid, citric acid, pH 3.0) stored at elevated temperature (40°C/7 days) was examined. In the absence of amino acids or peptides, anthocyanin degraded at first-order reaction rate. Addition of amino acids or peptide (0.1%) increased the color stability of anthocyanins, with the most significant improvement observed for l-tryptophan. The average half-life of anthocyanin color increased from 2 days to 6 days with l-tryptophan addition. Fluorescence quenching measurements revealed that the l-tryptophan interacted with anthocyanins mainly through hydrogen bonding, although some hydrophobic interaction may also have been involved. Overall, this study suggests that amino acid or peptide addition may prolong the color stability of anthocyanin in beverage products.

  16. Stability of Horndeski vector-tensor interactions

    SciTech Connect

    Jiménez, Jose Beltrán; Durrer, Ruth; Heisenberg, Lavinia; Thorsrud, Mikjel E-mail: ruth.durrer@unige.ch E-mail: mikjel.thorsrud@astro.uio.no

    2013-10-01

    We study the Horndeski vector-tensor theory that leads to second order equations of motion and contains a non-minimally coupled abelian gauge vector field. This theory is remarkably simple and consists of only 2 terms for the vector field, namely: the standard Maxwell kinetic term and a coupling to the dual Riemann tensor. Furthermore, the vector sector respects the U(1) gauge symmetry and the theory contains only one free parameter, M{sup 2}, that controls the strength of the non-minimal coupling. We explore the theory in a de Sitter spacetime and study the presence of instabilities and show that it corresponds to an attractor solution in the presence of the vector field. We also investigate the cosmological evolution and stability of perturbations in a general FLRW spacetime. We find that a sufficient condition for the absence of ghosts is M{sup 2} > 0. Moreover, we study further constraints coming from imposing the absence of Laplacian instabilities. Finally, we study the stability of the theory in static and spherically symmetric backgrounds (in particular, Schwarzschild and Reissner-Nordström-de Sitter). We find that the theory, quite generally, do have ghosts or Laplacian instabilities in regions of spacetime where the non-minimal interaction dominates over the Maxwell term. We also calculate the propagation speed in these spacetimes and show that superluminality is a quite generic phenomenon in this theory.

  17. Residue cluster additivity of thermodynamic stability in the hydrophobic core of mesophile vs. hyperthermophile rubredoxins.

    PubMed

    LeMaster, David M; Hernández, Griselda

    2007-02-01

    The branched sidechain residues 24 and 33 in the hydrophobic core of rubredoxin differ between the Clostridium pasteurianum (Cp) and Pyrococcus furiosus (Pf) sequences. Their X-ray structures indicate that these two sidechains are in van der Waals contact with each other, while neither appears to significantly interact with the other nonconserved residues. The simultaneous interchange of residues 24 and 33 between the Cp and Pf rubredoxin sequences yield a complementary pair of hybrid proteins for which the sum of their thermodynamic stabilities equals that of the parental rubredoxins. The 1.2 kcal/mol change arising from this two residues interchange accounts for 21% of the differential thermodynamic stability between the mesophile and hyperthermophile proteins. The additional interchange of the sole nonconserved aromatic residue in the hydrophobic core yields a 0.78 kcal/mol deviation from thermodynamic additivity.

  18. Interactive effects of nutrient additions and predation on infaunal communities

    USGS Publications Warehouse

    Posey, M.H.; Alphin, T.D.; Cahoon, L.; Lindquist, D.; Becker, M.E.

    1999-01-01

    Nutrient additions represent an important anthropogenic stress on coastal ecosystems. At moderate levels, increased nutrients may lead to increased primary production and, possibly, to increased biomass of consumers although complex trophic interactions may modify or mask these effects. We examined the influence of nutrient additions and interactive effects of trophic interactions (predation) on benthic infaunal composition and abundances through small-scale field experiments in 2 estuaries that differed in ambient nutrient conditions. A blocked experimental design was used that allowed an assessment of direct nutrient effects in the presence and absence of predation by epibenthic predators as well as an assessment of the independent effects of predation. Benthic microalgal production increased with experimental nutrient additions and was greater when infaunal abundances were lower, but there were no significant interactions between these factors. Increased abundances of one infaunal taxa, Laeonereis culveri, as well as the grazer feeding guild were observed with nutrient additions and a number of taxa exhibited higher abundances with predator exclusion. In contrast to results from freshwater systems there were no significant interactive effects between nutrient additions and predator exclusion as was predicted. The infaunal responses observed here emphasize the importance of both bottom-up (nutrient addition and primary producer driven) and top-down (predation) controls in structuring benthic communities. These processes may work at different spatial and temporal scales, and affect different taxa, making observation of potential interactive effects difficult.

  19. Behaviors of Polymer Additives Under EHL and Influences of Interactions Between Additives on Friction Modification

    NASA Technical Reports Server (NTRS)

    Sakurai, T.

    1984-01-01

    Polymer additives have become requisite for the formulation of multigrade engine oils. The behavior of polymethacrylate (PMA)-thickened oils as lubricants in concentrated contacts under nominal rolling and pure sliding conditions was investigated by conventional optical interferometry. The PMA thickened oils behaved differently from the base oil in the formation of elastohydrodynamic (EHL) films. The higher the elastohydrodynamic molecular weight of the PMA contained in the lubricant, the thinner was the oil film under EHL conditions. The film thickness of shear-degraded PMA-thickened oils was also investigated. The behavior of graphite particles dispersed in both the base oil and the PMA-thickened oil was studied under pure sliding by taking photomicrographs. Many kinds of additives are contained in lubricating oil and the interactions between additives are considered. The interactions of zinc-organodithiophosphates (ZDP) with other additives is discussed.

  20. Relative Stabilities of Organic Compounds Using Benson's Additivity Rules.

    ERIC Educational Resources Information Center

    Vitale, Dale E.

    1986-01-01

    Shows how the structure-energy principle can be presented in organic chemistry (without having to resort to quantum mechanics) by use of Benson's Additive Rules. Examples of the application to several major classes of organic compounds are given.

  1. Enhancement of colour stability of anthocyanins in model beverages by gum arabic addition.

    PubMed

    Chung, Cheryl; Rojanasasithara, Thananunt; Mutilangi, William; McClements, David Julian

    2016-06-15

    This study investigated the potential of gum arabic to improve the stability of anthocyanins that are used in commercial beverages as natural colourants. The degradation of purple carrot anthocyanin in model beverage systems (pH 3.0) containing L-ascorbic acid proceeded with a first-order reaction rate during storage (40 °C for 5 days in light). The addition of gum arabic (0.05-5.0%) significantly enhanced the colour stability of anthocyanin, with the most stable systems observed at intermediate levels (1.5%). A further increase in concentration (>1.5%) reduced its efficacy due to a change in the conformation of the gum arabic molecules that hindered their exposure to the anthocyanins. Fluorescence quenching measurements showed that the anthocyanin could have interacted with the glycoprotein fractions of the gum arabic through hydrogen bonding, resulting in enhanced stability. Overall, this study provides valuable information about enhancing the stability of anthocyanins in beverage systems using natural ingredients.

  2. Non-additivity of pair interactions in charged colloids

    NASA Astrophysics Data System (ADS)

    Finlayson, Samuel D.; Bartlett, Paul

    2016-07-01

    It is general wisdom that the pair potential of charged colloids in a liquid may be closely approximated by a Yukawa interaction, as predicted by the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. We experimentally determine the effective forces in a binary mixture of like-charged particles, of species 1 and 2, with blinking optical tweezers. The measured forces are consistent with a Yukawa pair potential but the (12) cross-interaction is not equal to the geometric mean of the (11) and (22) like-interactions, as expected from DLVO. The deviation is a function of the electrostatic screening length and the size ratio, with the cross-interaction measured being consistently weaker than DLVO predictions. The corresponding non-additivity parameter is negative and grows in magnitude with increased size asymmetry.

  3. The addition of body armor diminishes dynamic postural stability in military soldiers.

    PubMed

    Sell, Timothy C; Pederson, Jonathan J; Abt, John P; Nagai, Takashi; Deluzio, Jennifer; Wirt, Michael D; McCord, Larry J; Lephart, Scott M

    2013-01-01

    Poor postural stability has been identified as a risk factor for lower extremity musculoskeletal injury. The additional weight of body armor carried by Soldiers alters static postural stability and may predispose Soldiers to lower extremity musculoskeletal injuries. However, static postural stability tasks poorly replicate the dynamic military environment, which places considerable stress on the postural control system during tactical training and combat. Therefore, the purpose of this study was to examine the effects of body armor on dynamic postural stability during single-leg jump landings. Thirty-six 101st Airborne Division (Air Assault) Soldiers performed single-leg jump landings in the anterior direction with and without wearing body armor. The dynamic postural stability index and the individual stability indices (medial-lateral stability index, anterior-posterior stability index, and vertical stability index) were calculated for each condition. Paired sample t-tests were performed to determine differences between conditions. Significant differences existed for the medial-lateral stability index, anterior-posterior stability index, vertical stability index, and dynamic postural stability index (p < 0.05). The addition of body armor resulted in diminished dynamic postural stability, which may result in increased lower extremity injuries. Training programs should address the altered dynamic postural stability while wearing body armor in attempts to promote adaptations that will result in safer performance during dynamic tasks.

  4. Interactions of Organic Additives with Ionic Crystal Hydrates

    NASA Astrophysics Data System (ADS)

    Füredi-Milhofer, H.; Sikirić, M.; Tunik, L.; Filipović-Vinceković, N.; Garti, N.

    The interactions of two groups of hydrated model crystals, calcium hydrogenphosphate dihydrate (DCPD) vs. octacalcium phosphate (OCP) and calcium oxalate monohydrate (COM) vs. calcium oxalate dihydrate (COD) with different organic additives are considered. DCPD precipitates as platelet-like crystals with the dominant faces shielded by hydrated layers and charged lateral faces. In the second system COM has charged surfaces, while all faces of COD are covered with layers containing water molecules. The organic molecules tested include negatively charged, flexible and rigid small and macromolecules (glutamic and aspartic acid, citrate, hexaammonium polyphosphate, phytate and polyaspartate) and anionic surfactants (sodium dodecyl sulphate, SDS, sodium diisooctyl sulfosuccinate, AOT, sodium cholate NaC and disodium oleoamido PEG-2 sulfosuccinate, PEG). Two types of effects have been demonstrated: (1) Effect on crystal growth morphology: Flexible organic molecules with high charge density and anionic surfactants affected the growth morphology of DCPD and COM by selectively interacting with the charged lateral faces while rigid molecules (phytate, polyaspartate) specifically recognized the dominant (010) face of DCPD due to structural and stereochemical compatibility. (2) Effect on phase composition: Anionic surfactants at concentrations above the cmc promoted growth of OCP and COD respectively by selectively adsorbing at, and inhibiting growth oif nuclei of DCPD and/or COM, which were dominant in the respective control systems. The effect was especially pronounced in the calcium oxalate precipitation system, where in some cases complete reversal of the phase composition occurred. The important role of the hydrated layer, as part of the structure of the investigated crystal hydrates, in the above crystal additive interactions is discussed.

  5. The influence of additives on beer stability investigated by EPR spectroscopy

    NASA Astrophysics Data System (ADS)

    Brezová, Vlasta; Polovka, Martin; Staško, Andrej

    2002-04-01

    In thermally-accelerated aging followed by EPR spectroscopy of beer samples of various stabilities, free radical 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPOL) was shown to be an effective indicator of the breakdown of a sample's stability, comparable to the commonly used spin trapping agent α-phenyl- N- tert-butylnitrone (PBN). Both indicators were then employed to investigate the influence of additives on beer stability. The addition of L-ascorbic acid (ASC) to the beer samples accelerated the radical processes and a lower stability was found. DL-α-tocopherol (α-TOC) did not influence beer stability significantly (probably due to its limited solubility). Na 2SO 3, described as a very effective stabilizer in experiments with the PBN spin trap, was found not to be effective using the TEMPOL indicator. This is probably due to inhibition in the formation of spin adducts or their degradation by Na 2SO 3.

  6. The influence of additives on beer stability investigated by EPR spectroscopy.

    PubMed

    Brezová, Vlasta; Polovka, Martin; Stasko, Andrej

    2002-04-01

    In thermally-accelerated aging followed by EPR spectroscopy of beer samples of various stabilities, free radical 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPOL) was shown to be an effective indicator of the breakdown of a sample's stability, comparable to the commonly used spin trapping agent alpha-phenyl-N-tert-butylnitrone (PBN). Both indicators were then employed to investigate the influence of additives on beer stability. The addition of L-ascorbic acid (ASC) to the beer samples accelerated the radical processes and a lower stability was found. DL-alpha-tocopherol (alpha-TOC) did not influence beer stability significantly (probably due to its limited solubility). Na2SO3, described as a very effective stabilizer in experiments with the PBN spin trap, was found not to be effective using the TEMPOL indicator. This is probably due to inhibition in the formation of spin adducts or their degradation by Na2SO3.

  7. Modulation of additive and interactive effects by trial history revisited.

    PubMed

    Masson, Michael E J; Rabe, Maximilian M; Kliegl, Reinhold

    2017-04-01

    Masson and Kliegl (Journal of Experimental Psychology: Learning, Memory, and Cognition, 39, 898-914, 2013) reported evidence that the nature of the target stimulus on the previous trial of a lexical decision task modulates the effects of independent variables on the current trial, including additive versus interactive effects of word frequency and stimulus quality. In contrast, recent reanalyses of previously published data from experiments that, unlike the Masson and Kliegl experiments, did not include semantic priming as a factor, found no evidence for modulation of additive effects of frequency and stimulus quality by trial history (Balota, Aschenbrenner, & Yap, Journal of Experimental Psychology: Learning, Memory, and Cognition, 39, 1563-1571, 2013; O'Malley & Besner, Journal of Experimental Psychology: Learning, Memory, and Cognition, 34, 1400-1411, 2013). We report two experiments that included semantic priming as a factor and that attempted to replicate the modulatory effects found by Masson and Kliegl. In neither experiment was additivity of frequency and stimulus quality modulated by trial history, converging with the findings reported by Balota et al. and O'Malley and Besner. Other modulatory influences of trial history, however, were replicated in the new experiments and reflect potential trial-by-trial alterations in decision processes.

  8. Soil aggregate stability as affected by clay mineralogy and polyacrylamide addition

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The addition of polyacrylamide (PAM) to soil leads to stabilization of existing aggregates and improved bonding between, and aggregation of adjacent soil particles However, the dependence of PAM efficacy as an aggregate stabilizing agent on soil-clay mineralogy has not been studied. Sixteen soil sam...

  9. Additivity in both thermodynamic stability and thermal transition temperature for rubredoxin chimeras via hybrid native partitioning.

    PubMed

    LeMaster, David M; Hernández, Griselda

    2005-08-01

    Given any operational definition of pairwise interaction, the set of residues that differ between two structurally homologous proteins can be uniquely partitioned into subsets of clusters for which no such interactions occur between clusters. Although hybrid protein sequences that preserve such clustering are consistent with tertiary structures composed of only parental native-like interactions, the stability of such predicted structures will depend upon the physical robustness of the assumed interaction potential. A simple distance cutoff criterion was applied to the most thermostable protein known to predict such a seven-residue cluster in the metal binding site region of Pyrococcus furiosus rubredoxin and a mesophile homolog. Both conformational stability and thermal transition temperature measurements demonstrate that 39% of the differential stability arises from these seven residues.

  10. Ecological Networks: Structure, Interaction Strength, and Stability

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, Samit; Sinha, Somdatta

    The fundamental building blocks of any ecosystem, the food webs, which are assemblages of species through various interconnections, provide a central concept in ecology. The study of a food web allows abstractions of the complexity and interconnectedness of natural communities that transcend the specific details of the underlying systems. For example, Fig. 1 shows a typical food web, where the species are connected through their feeding relationships. The top predator, Heliaster (starfish) feeds on many gastropods like Hexaplex, Morula, Cantharus, etc., some of whom predate on each other [129]. Interactions between species in a food web can be of many types, such as predation, competition, mutualism, commensalism, and ammensalism (see Section 1.1, Fig. 2).

  11. Design of additive quantum codes via the code-word-stabilized framework

    NASA Astrophysics Data System (ADS)

    Kovalev, Alexey A.; Dumer, Ilya; Pryadko, Leonid P.

    2011-12-01

    We consider design of the quantum stabilizer codes via a two-step, low-complexity approach based on the framework of codeword-stabilized (CWS) codes. In this framework, each quantum CWS code can be specified by a graph and a binary code. For codes that can be obtained from a given graph, we give several upper bounds on the distance of a generic (additive or nonadditive) CWS code, and the lower Gilbert-Varshamov bound for the existence of additive CWS codes. We also consider additive cyclic CWS codes and show that these codes correspond to a previously unexplored class of single-generator cyclic stabilizer codes. We present several families of simple stabilizer codes with relatively good parameters.

  12. Improving aerobic stability and biogas production of maize silage using silage additives.

    PubMed

    Herrmann, Christiane; Idler, Christine; Heiermann, Monika

    2015-12-01

    The effects of air stress during storage, exposure to air at feed-out, and treatment with silage additives to enhance aerobic stability on methane production from maize silage were investigated at laboratory scale. Up to 17% of the methane potential of maize without additive was lost during seven days exposure to air on feed-out. Air stress during storage reduced aerobic stability and further increased methane losses. A chemical additive containing salts of benzoate and propionate, and inoculants containing heterofermentative lactic acid bacteria were effective to increase aerobic stability and resulted in up to 29% higher methane yields after exposure to air. Exclusion of air to the best possible extent and high aerobic stabilities should be primary objectives when ensiling biogas feedstocks.

  13. Intuitionistic fuzzy stability of a general mixed additive-cubic equation

    NASA Astrophysics Data System (ADS)

    Xu, Tian Zhou; Rassias, John Michael; Xu, Wan Xin

    2010-06-01

    We establish some stability results concerning the general mixed additive-cubic functional equation, f(kx +y)+f(kx -y)=kf(x +y)+kf(x -y)+2f(kx)-2kf(x ),in intuitionistic fuzzy normed spaces. In addition, we show under some suitable conditions that an approximately mixed additive-cubic function can be approximated by a mixed additive and cubic mapping.

  14. Interaction between Polymeric Additives and Secondary Fluids in Capillary Suspensions.

    PubMed

    Bitsch, Boris; Braunschweig, Björn; Willenbacher, Norbert

    2016-02-16

    Capillary suspensions are ternary systems including a solid and two liquid phases representing a novel formulation platform for pastes with unique processing and end-use properties. Here we have investigated aqueous suspensions of non-Brownian graphite particles including different polymers commonly used as thickening agents or binders in paste formulations. We have studied the interaction between these additives and organic solvents in order to elucidate its effect on the characteristic formation of a particle network structure in corresponding ternary capillary suspension systems. Organic solvents with different polarity have been employed, and in the presence of nonadsorbing poly(ethylene oxide), all of them, whether they preferentially wet the graphite surface or not, induce the formation of a network structure within the suspension as indicated by a strong change in rheological properties. However, when the adsorbing polymers carboxymethylcellulose and poly(vinylpyrrolidone) are included, the drastic change in rheological behavior occurs only when polar organic solvents are used as secondary liquids. Obviously, these solvents can form pendular bridges, finally resulting in a sample-spanning particle network. Vibrational sum frequency spectroscopy provides evidence that these polar liquids remove the adsorbed polymer from the graphite particles. In contrast, nonpolar and nonwetting solvents do not force polymer desorption. In these cases, the formation of a percolating network structure within the suspensions is presumably prevented by the strong steric repulsion among graphite particles, not allowing for the formation of particle clusters encapsulating the secondary liquid. Accordingly, polymeric additives and secondary fluids have to be carefully selected in capillary suspension formulations, then offering a new pathway to customize paste formulations. The polymer may serve to adjust an appropriate viscosity level, and the capillary bridging induces the

  15. Comparison between different types of carboxylmethylcellulose and other oenological additives used for white wine tartaric stabilization.

    PubMed

    Guise, R; Filipe-Ribeiro, L; Nascimento, D; Bessa, O; Nunes, F M; Cosme, F

    2014-08-01

    Carboxylmethylcellulose (CMC) is authorised to prevent wine tartaric instability. The effect of CMC structural characteristics on their effectiveness is not well understood. The main purpose of this study was to compare the impact of CMC's with different degrees of substitution and molecular weight, on tartaric stability, tartaric acid, mineral concentration, phenolic compounds, chromatic and sensory characteristics in white wines, and compare its effectiveness with other oenological additives. Mini-contact test showed that all CMC's and metatartaric acid stabilized the wines; however, some arabic gums and mannoproteins do not stabilized the wines. CMC's had no significant effect on tartaric acid, potassium, calcium and sensory attributes. Tartaric stabilization effectiveness depends on CMC's degree of substitution, but also on wine matrix, probably its initial potassium content. Results suggest that CMC is a good alternative to white wine tartaric stabilization; nevertheless deeper structure knowledge is necessary in order to choose the appropriate CMC for a given tartaric instability.

  16. Environmental behavior of cement-based stabilized foundry sludge products incorporating additives.

    PubMed

    Ruiz, M C; Irabien, A

    2004-06-18

    A series of experiments were conducted to stabilize the inorganic and organic pollutants in a foundry sludge from a cast iron activity using Portland cement as binder and three different types of additives, organophilic bentonite, lime and coal fly ash. Ecotoxicological and chemical behavior of stabilized mixes of foundry sludge were analyzed to assess the feasibility to immobilize both types of contaminants, all determined on the basis of compliance leaching tests. The incorporation of lime reduces the ecotoxicity of stabilized mixes and enhances stabilization of organic pollutants obtaining better results when a 50% of cement is replaced by lime. However, the alkalinity of lime increases slightly the leached zinc up to concentrations above the limit set under neutral conditions by the European regulations. The addition of organophilic bentonite and coal fly ash can immobilize the phenolic compounds but are inefficient to reduce the ecotoxicity and mobility of zinc of final products.

  17. Design of additive quantum codes via the codeword-stabilized framework

    NASA Astrophysics Data System (ADS)

    Pryadko, Leonid P.; Dumer, Ilya; Kovalev, Alexey A.

    2012-02-01

    Codeword stabilized (CWS) construction defines a quantum code by combining a classical binary code with some underlying graph state. In general, CWS codes are non-additive but become additive stabilizer codes if derived from a linear binary code. Generic CWS codes typically require complex error correction; however, we show that the CWS framework is an efficient tool for constructing good stabilizer codes with simple decoding. We start by proving the lower Gilbert-Varshamov bound on the parameters of an additive CWS code which can be obtained from a given graph. We also show that cyclic additive CWS codes belong to a previously overlooked family of single-generator cyclic stabilizer codes; these codes are derived from a circulant graph and a cyclic binary code. Finally, we present several families of simple stabilizer codes with relatively good parameters, including a family of the smallest toric-like cyclic CWS codes which have length, dimension, and distance as follows: [[t^2+(t+1)^2,1,2t+1

  18. Insight into the interaction between layered lithium-rich oxide and additive-containing electrolyte

    NASA Astrophysics Data System (ADS)

    Tu, Wenqiang; Xia, Pan; Zheng, Xiongwen; Ye, Changchun; Xu, Mengqiang; Li, Weishan

    2017-02-01

    Electrolyte additives have been found to be effective for the cyclic stability improvement of layered lithium-rich oxide (LRO), which is ascribed to the formation of cathode films derived from the preferential oxidation of the electrolyte additives. However, the detailed mechanism on the formation of the cathode film is unclear. This paper uncovers the interaction between LRO and additive-containing electrolyte through theoretical calculations, electrochemical measurements and physical characterizations. A representative LRO, Li1.2Mn0.54Ni0.13Co0.13O2, is synthesized, and an electrolyte, 1 M LiPF6 in EC/DMC (1/2, in volume) using triethyl phosphite (TEP) as additive, is considered. Charge/discharge tests demonstrate that LRO suffers severe capacity fading and TEP can significantly improve the cyclic stability of LRO. Characterizations from SEM and TEM demonstrate that a cathode film exists on the LRO after cycling in the TEP-containing electrolyte. The theoretical calculations suggest that TEP traps the active oxygen and is then oxidized on LRO preferentially compared to the electrolyte, forming the cathode film. The further characterizations from FTIR and GC, confirm that the preferential combination of TEP with active oxygen is beneficial for the suppression of oxygen evolution, and that the resulting cathode film can suppress the electrolyte decomposition and protect LRO from destruction.

  19. Processing time of addition or withdrawal of single or combined balance-stabilizing haptic and visual information

    PubMed Central

    Honeine, Jean-Louis; Crisafulli, Oscar; Sozzi, Stefania

    2015-01-01

    We investigated the integration time of haptic and visual input and their interaction during stance stabilization. Eleven subjects performed four tandem-stance conditions (60 trials each). Vision, touch, and both vision and touch were added and withdrawn. Furthermore, vision was replaced with touch and vice versa. Body sway, tibialis anterior, and peroneus longus activity were measured. Following addition or withdrawal of vision or touch, an integration time period elapsed before the earliest changes in sway were observed. Thereafter, sway varied exponentially to a new steady-state while reweighting occurred. Latencies of sway changes on sensory addition ranged from 0.6 to 1.5 s across subjects, consistently longer for touch than vision, and were regularly preceded by changes in muscle activity. Addition of vision and touch simultaneously shortened the latencies with respect to vision or touch separately, suggesting cooperation between sensory modalities. Latencies following withdrawal of vision or touch or both simultaneously were shorter than following addition. When vision was replaced with touch or vice versa, adding one modality did not interfere with the effect of withdrawal of the other, suggesting that integration of withdrawal and addition were performed in parallel. The time course of the reweighting process to reach the new steady-state was also shorter on withdrawal than addition. The effects of different sensory inputs on posture stabilization illustrate the operation of a time-consuming, possibly supraspinal process that integrates and fuses modalities for accurate balance control. This study also shows the facilitatory interaction of visual and haptic inputs in integration and reweighting of stance-stabilizing inputs. PMID:26334013

  20. Stability and modal analysis of shock/boundary layer interactions

    NASA Astrophysics Data System (ADS)

    Nichols, Joseph W.; Larsson, Johan; Bernardini, Matteo; Pirozzoli, Sergio

    2017-02-01

    The dynamics of oblique shock wave/turbulent boundary layer interactions is analyzed by mining a large-eddy simulation (LES) database for various strengths of the incoming shock. The flow dynamics is first analyzed by means of dynamic mode decomposition (DMD), which highlights the simultaneous occurrence of two types of flow modes, namely a low-frequency type associated with breathing motion of the separation bubble, accompanied by flapping motion of the reflected shock, and a high-frequency type associated with the propagation of instability waves past the interaction zone. Global linear stability analysis performed on the mean LES flow fields yields a single unstable zero-frequency mode, plus a variety of marginally stable low-frequency modes whose stability margin decreases with the strength of the interaction. The least stable linear modes are grouped into two classes, one of which bears striking resemblance to the breathing mode recovered from DMD and another class associated with revolving motion within the separation bubble. The results of the modal and linear stability analysis support the notion that low-frequency dynamics is intrinsic to the interaction zone, but some continuous forcing from the upstream boundary layer may be required to keep the system near a limit cycle. This can be modeled as a weakly damped oscillator with forcing, as in the early empirical model by Plotkin (AIAA J 13:1036-1040, 1975).

  1. Investigation of sewage sludge stabilization potential by the addition of fly ash and lime.

    PubMed

    Samaras, P; Papadimitriou, C A; Haritou, I; Zouboulis, A I

    2008-06-15

    The aim of this work was the examination of stabilization potential of sewage sludge by the addition of fly ash and/or lime and the investigation of the effect of stabilization time on the properties of produced mixtures. Five samples were prepared by mixing fly ash, sewage sludge and lime in various ratios and the mixtures were stabilized for a period of 35 d. The addition of alkaline agents resulted in the increase of sample pH up to 12, the increase of total solids content to about 50% and the reduction of the organic fraction of the solids. The produced samples presented inhibition effects to seed germination and root length growth of three higher plants (one monocotyl and two dicotyls); however, samples with high sludge content resulted in negligible seed germination inhibition at prolonged stabilization times. The standard TCLP leaching procedure was applied in all the produced samples in order to evaluate the extraction potential of certain metallic elements; the content of metals in the eluates was varied, depending upon their speciation and form. Eluates presented significant inhibition to the marine photobacterium Vibrio fischeri bioluminescence, while the lowest inhibition was detected for the samples containing higher sludge content. These samples potentially could be applied as soil amendment, offering an efficient method for the combined utilization of two different solid wastes; however, low dosages of fly ash should be used for the production of a stabilized material presenting negligible effects with respect to its phytotoxic and ecotoxic properties.

  2. Strongly turbulent stabilization of electron beam-plasma interactions

    NASA Technical Reports Server (NTRS)

    Freund, H. P.; Haber, I.; Palmadesso, P.; Papadopoulos, K.

    1980-01-01

    The stabilization of electron beam interactions due to strongly turbulent nonlinearities is studied analytically and numerically for a wide range of plasma parameters. A fluid mode coupling code is described in which the effects of electron and ion Landau damping and linear growth due to the energetic electron beam are included in a phenomenological manner. Stabilization of the instability is found to occur when the amplitudes of the unstable modes exceed the threshold of the oscillating two-stream instability. The coordinate space structure of the turbulent spectrum which results clearly shows that soliton-like structures are formed by this process. Phenomenological models of both the initial stabilization and the asymptotic states are developed. Scaling laws between the beam-plasma growth rate and the fluctuations in the fields and plasma density are found in both cases, and shown to be in good agreement with the results of the simulation.

  3. Stability and Interaction of Coherent Structure in Supersonic Reactive Wakes

    NASA Technical Reports Server (NTRS)

    Menon, Suresh

    1983-01-01

    A theoretical formulation and analysis is presented for a study of the stability and interaction of coherent structure in reacting free shear layers. The physical problem under investigation is a premixed hydrogen-oxygen reacting shear layer in the wake of a thin flat plate. The coherent structure is modeled as a periodic disturbance and its stability is determined by the application of linearized hydrodynamic stability theory which results in a generalized eigenvalue problem for reactive flows. Detailed stability analysis of the reactive wake for neutral, symmetrical and antisymmetrical disturbance is presented. Reactive stability criteria is shown to be quite different from classical non-reactive stability. The interaction between the mean flow, coherent structure and fine-scale turbulence is theoretically formulated using the von-Kaman integral technique. Both time-averaging and conditional phase averaging are necessary to separate the three types of motion. The resulting integro-differential equations can then be solved subject to initial conditions with appropriate shape functions. In the laminar flow transition region of interest, the spatial interaction between the mean motion and coherent structure is calculated for both non-reactive and reactive conditions and compared with experimental data wherever available. The fine-scale turbulent motion determined by the application of integral analysis to the fluctuation equations. Since at present this turbulence model is still untested, turbulence is modeled in the interaction problem by a simple algebraic eddy viscosity model. The applicability of the integral turbulence model formulated here is studied parametrically by integrating these equations for the simple case of self-similar mean motion with assumed shape functions. The effect of the motion of the coherent structure is studied and very good agreement is obtained with previous experimental and theoretical works for non-reactive flow. For the reactive case

  4. Manipulation of lysozyme phase behavior by additives as function of conformational stability.

    PubMed

    Galm, Lara; Morgenstern, Josefine; Hubbuch, Jürgen

    2015-10-15

    Undesired protein aggregation in general and non-native protein aggregation in particular need to be inhibited during bio-pharmaceutical processing to ensure patient safety and to maintain product activity. In this work the potency of different additives, namely glycerol, PEG 1000, and glycine, to prevent lysozyme aggregation and selectively manipulate lysozyme phase behavior was investigated. The results revealed a strong pH dependency of the additive impact on lysozyme phase behavior, lysozyme solubility, crystal size and morphology. This work aims to link this pH dependent impact to a protein-specific parameter, the conformational stability of lysozyme. At pH 3 the addition of 10% (w/v) glycerol, 10% (w/v) PEG 1000, and 1 M glycine stabilized or destabilized lysozymes' native conformation resulting in a modified size of the crystallization area without influencing lysozyme solubility, crystal size and morphology. Addition of 1 M glycine even promoted non-native aggregation at pH 3 whereas addition of PEG 1000 completely inhibited non-native aggregation. At pH 5 the addition of 10% (w/v) glycerol, 10% (w/v) PEG 1000, and 1 M glycine did not influence lysozymes' native conformation, but strongly influenced the position of the crystallization area, lysozyme solubility, crystal size and morphology. The observed pH dependent impact of the additives could be linked to a differing lysozyme conformational stability in the binary systems without additives at pH 3 and pH 5. However, in any case lysozyme phase behavior could selectively be manipulated by addition of glycerol, PEG 1000 and glycine. Furthermore, at pH 5 crystal size and morphology could selectively be manipulated.

  5. Interaction Between the Pipeline and Additional Equipment for Trenchless Technologies

    NASA Astrophysics Data System (ADS)

    Toropov, V. S.; Temirbaev, R. M.; Toropov, E. S.; Toropov, S. Yu

    2016-10-01

    In this article the authors defined the limits of applicability of the pipeline pusher as additional equipment for pipeline construction when using trenchless methods. In this case, the pushing force is applied to the free end of the pipeline section located on the day surface. The authors obtained analytical dependences for determining the stress-strain state of the pushed pipeline when using the pusher in a particular case. In addition, they identified values of axial pushing force that are considered dangerous, because they can cause pipeline dropping down from the roller supports during pipeline pullback.

  6. Effect of additives on tribochemical stability of greases with easter base oil

    SciTech Connect

    Nikonorov, E.M.; Demina, L.V.; Skryabina, T.G.; Sosulina, L.N.

    1984-03-01

    This article investigates the possibility of improving the tribochemical stability of soap-base grease formulated with polyol ester oils, by the use of additives of the phenol and amine types. Model greases formulated with a pentaerythritol ester (PET) and the polyester PAK, taken in a 9:1 ratio, were examined. The tribochemical stability of the greases was evaluated according to the rate of conversion of their dispersion medium in a rolling friction zone. The rate of additive exhaustion was evaluated by analogy with the rate of triboconversion of the dispersion medium. The additives used were phenyl-..cap alpha..-naphthylamine (PAN), diphenylamine (DPA), 2, 6-di-tert-butyl-p-cresol (ionol), a technical-grade dialkylated diphenylamine (DAT), and mixtures of the inhibitors. It is determined that the greatest effect in increasing the tribochemical stability is achieved by the introduction of combinations of additives: DAT + ionol (in Li and cCa greases) and PAN + DAT (in cCa grease).

  7. Influence of PEG-12 Dimethicone addition on stability and formation of emulsions containing liquid crystal.

    PubMed

    Andrade, F F; Santos, O D H; Oliveira, W P; Rocha-Filho, P A

    2007-06-01

    Oil/water emulsions, containing liquid crystals, were developed employing Andiroba oil, PEG-12 Dimethicone and Crodafos CES. It was evaluated the influence of silicone surfactants on the emulsions stability and on the formation of liquid crystalline phases and therefore, physicochemical characteristics, such as rheology and zeta potential, were evaluated. Emulsions were prepared by the emulsions phase inversion method. All the formulations presented lamellar liquid crystalline phases. The PEG-12 Dimethicone addition did not change microscopically the liquid crystalline phases. The emulsions containing silicone demonstrated lower viscosity than those without the additive. This is an important feature, as the silicone did not change the rheological profile; however, the addition of silicone still can be used as a viscosity controller. The formulations had their viscosity increased 15 and 150 days after their preparation. This characteristic shows that the emulsions have their organization increased along the storing time. In the analysis of zeta potential, we could verify that all formulations presented negative values between -39.7 and -70.0 mV. Within this range of values, the emulsion physical stability is high (Fig. 10). It was concluded that the addition of PEG-12 Dimethicone kept the liquid crystalline phase of the emulsion obtained with Crodafos CES, influencing in a positive way in the system stability.

  8. Additives

    NASA Technical Reports Server (NTRS)

    Smalheer, C. V.

    1973-01-01

    The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.

  9. Stabilization of nontoxic PVC formulation for gamma irradiation sterilization, I. Effect of additives.

    PubMed

    Khang, Gilson; Kong, Chong-Su; Rhee, John M; Lee, Hai Bang

    2002-01-01

    In order to investigate the fundamental data for the resistance of gamma radiation sterilization of polyvinylchloride (PVC), the formulations of the additives such as plasticizers of dioctylphthalate, trioctyltrimellitate and polyester, second plasticizers, Ca/Zn nontoxic metallic stabilizers with powder, paste and liquid state, and phosphite stabilizers have been carried out. The control and irradiated PVC samples with 1.5, 2.5 and 4.0 Mrads were characterized by mechanical tester, colorimetry, and extractant in water. The effect of plasticizers observed in the order of dioctylphthalate approximately equal trioctyltrimellitate > polymeric plasticizer. It was observed in the order of Ca/Zn metallic stabilizers of paste > liquid approximately equal powder state for the color change and liquid > paste > powder for the extractant. The mechanism of the discoloration of PVC in our experiment was predominant the formation of polyene by the dehydrochlorination rather than the formation of keton and aldehyde by the oxidation and chain dissociation by the measurement of gel permeation chromatography and mechanical property. The proposed mechanisms of stabilization and discolorization with various additives are also discussed.

  10. Effects of potential additives to promote seal swelling on the thermal stability of synthetic jet fuels

    SciTech Connect

    Lind, D.D.; Gormley, R.G.; Zandhuis, P.H.; Baltrus, J.P.

    2007-10-01

    Synthetic fuels derived from the Fischer-Tropsch (F-T) process using natural gas or coal-derived synthesis gas as feedstocks can be used for powering of ground vehicles, aircraft and ships. Because of their chemical and physical properties, F-T fuels will probably require additives in order to meet specifications with respect to lubricity and seal swell capability for use in ground and air vehicles. These additives can include oxygenates and compounds containing other heteroatoms that may adversely affect thermal stability. In order to understand what additives will be the most beneficial, a comprehensive experimental and computational study of conventional and additized fuels has been undertaken. The experimental approach includes analysis of the trace oxygenate and nitrogen-containing compounds present in conventional petroleum-derived fuels and trying to relate their presence (or absence) to changes in the desired properties of the fuels. This paper describes the results of efforts to test the thermal stability of synthetic fuels and surrogate fuels containing single-component additives that have been identified in earlier research as the best potential additives for promoting seal swelling in synthetic fuels, as well as mixtures of synthetic and petroleum-derived fuels.

  11. Effect of additives on jet fuel thermal stability determined using the gravimetric JFTOT

    SciTech Connect

    Pande, S.G.; Hardy, D.R.

    1996-10-01

    In an effort to address the need for improving the thermal stabilities of jet fuels, various additives are being examined. These include the antioxidant, BHT; a metal deactivator, MDA (N,N{prime}-Disalicylidene-1,2-propane diamine); a combination of BHT and MDA; and two dispersant/detergent additives, viz., a Betz and Mobil additive. In general, the additives were screened in three test fuels, viz., a refinery sampling blend (RSB), a JP-8, and a Jet A. Additive effectiveness on aging a fuel in the presence of 400 ppb copper was examined in the RSB fuel. Based on the studies conducted, the most effective additives were the MDA/BHT combination, the Betz, and the Mobil additive (when tested). For example, these additives significantly lowered the total thermal deposits formed for the copper-doped aged fuel. For the remaining two test fuels, differentiation in effectiveness among the additives screened was considerably less. These results, which are likely due to the test fuels being relatively thermally stable, focus on the necessity of using less stable fuels to better differentiate additive effectiveness.

  12. Increasing thermomagnetic stability of composite superconductors with additives of extremely-large-heat-capacity substances

    NASA Astrophysics Data System (ADS)

    Keilin, V. E.; Kovalev, I. A.; Kruglov, S. L.; Lupanov, D. É.; Shcherbakov, V. I.

    2008-05-01

    We have studied the thermomagnetic stability (with respect to magnetic flux disturbances) of composite superconductors screened by additives of rare earth compounds possessing extremely high heat capacity at low temperatures. Three tubular composite structures have been manufactured and studied with respect to screening of the central region from variations of an external magnetic field. The effect of large-heat-capacity substances (LHCSs) was evaluated by measuring a jump in the magnetic flux in response to the rate of variation (ramp) of the external magnetic field. It is established that the adiabatic criterion of stability (magnetic-flux jump field) in the sample structures containing LHCSs significantly increases—by 20% for HoCu2 intermetallic compound and 31% for Gd2O2S ceramics—as compared to the control structure free of such additives.

  13. Vitrification of F006 plating waste sludge by Reactive Additive Stabilization Process (RASP)

    SciTech Connect

    Martin, H.L.; Jantzen, C.M.; Pickett, J.B.

    1994-06-01

    Solidification into glass of nickel-on-uranium plating wastewater treatment plant sludge (F006 Mixed Waste) has been demonstrated at the Savannah River She (SRS). Vitrification using high surface area additives, the Reactive Additive Stabilization Process (RASP), greatly enhanced the solubility and retention of heavy metals In glass. The bench-scale tests using RASP achieved 76 wt% waste loading In both soda-lime-silica and borosilicate glasses. The RASP has been Independently verified by a commercial waste management company, and a contract awarded to vitrify the approximately 500,000 gallons of stored waste sludge. The waste volume reduction of 89% will greatly reduce the disposal costs, and delisting of the glass waste is anticipated. This will be the world`s first commercial-scale vitrification system used for environmental cleanup of Mixed Waste. Its stabilization and volume reduction abilities are expected to set standards for the future of the waste management Industry.

  14. New Stabilization for Dynamical System with Two Additive Time-Varying Delays

    PubMed Central

    Yang, Fan; Chen, Xiaozhou

    2014-01-01

    This paper provides a new delay-dependent stabilization criterion for systems with two additive time-varying delays. The novel functional is constructed, a tighter upper bound of the derivative of the Lyapunov functional is obtained. These results have advantages over some existing ones because the combination of the delay decomposition technique and the reciprocally convex approach. Two examples are provided to demonstrate the less conservatism and effectiveness of the results in this paper. PMID:24701159

  15. The additive effect of harmonics on conservative and dissipative interactions

    NASA Astrophysics Data System (ADS)

    Santos, Sergio; Gadelrab, Karim R.; Barcons, Victor; Font, Josep; Stefancich, Marco; Chiesa, Matteo

    2012-12-01

    Multifrequency atomic force microscopy holds promise as a tool for chemical and topological imaging with nanoscale resolution. Here, we solve the equation of motion exactly for the fundamental mode in terms of the cantilever mean deflection, the fundamental frequency of oscillation, and the higher harmonic amplitudes and phases. The fundamental frequency provides information about the mean force, dissipation, and variations in the magnitude of the attractive and the repulsive force components during an oscillation cycle. The contributions of the higher harmonics to the position, velocity, and acceleration can be added gradually where the details of the true instantaneous force are recovered only when tens of harmonics are included. A formalism is developed here to decouple and quantify the viscous term of the force in the short and long range. It is also shown that the viscosity independent paths on tip approach and tip retraction can also be decoupled by simply acquiring a FFT at two different cantilever separations. The two paths correspond to tip distances at which metastability is present as, for example, in the presence of capillary interactions and where there is surface energy hysteresis.

  16. Structural and ferromagnetic properties of an orthorhombic phase of MnBi stabilized with Rh additions

    SciTech Connect

    Taufour, Valentin; Thimmaiah, Srinivasa; March, Stephen; Saunders, Scott; Sun, Kewei; Lamichhane, Tej Nath; Kramer, Matthew J.; Bud’ko, Sergey L.; Canfield, Paul C.

    2015-07-28

    The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn provides an improvement in the thermal stability with some degradation of the magnetic properties. The small amounts of Rh and Mn additions in MnBi stabilize an orthorhombic phase whose structural and magnetic properties are closely related to the ones of the previously reported high-temperature phase of MnBi (HT MnBi). The properties of the HT MnBi, which is stable between 613 and 719 K, have not been studied in detail because of its transformation to the stable low-temperature MnBi (LT MnBi), making measurements near and below its Curie temperature difficult. The Rh-stabilized MnBi with chemical formula Mn1.0625–xRhxBi [x=0.02(1)] adopts a new superstructure of the NiAs/Ni2In structure family. It is ferromagnetic below a Curie temperature of 416 K. The critical exponents of the ferromagnetic transition are not of the mean-field type but are closer to those associated with the Ising model in three dimensions. The magnetic anisotropy is uniaxial; the anisotropy energy is rather large, and it does not increase when raising the temperature, contrary to what happens in LT MnBi. The saturation magnetization is approximately 3μB/f.u. at low temperatures. Thus, while this exact composition may not be application ready, it does show that alloying is a viable route to modifying the stability of this class of rare-earth-free magnet alloys.

  17. Structural and ferromagnetic properties of an orthorhombic phase of MnBi stabilized with Rh additions

    DOE PAGES

    Taufour, Valentin; Thimmaiah, Srinivasa; March, Stephen; ...

    2015-07-28

    The article addresses the possibility of alloy elements in MnBi which may modify the thermodynamic stability of the NiAs-type structure without significantly degrading the magnetic properties. The addition of small amounts of Rh and Mn provides an improvement in the thermal stability with some degradation of the magnetic properties. The small amounts of Rh and Mn additions in MnBi stabilize an orthorhombic phase whose structural and magnetic properties are closely related to the ones of the previously reported high-temperature phase of MnBi (HT MnBi). The properties of the HT MnBi, which is stable between 613 and 719 K, have notmore » been studied in detail because of its transformation to the stable low-temperature MnBi (LT MnBi), making measurements near and below its Curie temperature difficult. The Rh-stabilized MnBi with chemical formula Mn1.0625–xRhxBi [x=0.02(1)] adopts a new superstructure of the NiAs/Ni2In structure family. It is ferromagnetic below a Curie temperature of 416 K. The critical exponents of the ferromagnetic transition are not of the mean-field type but are closer to those associated with the Ising model in three dimensions. The magnetic anisotropy is uniaxial; the anisotropy energy is rather large, and it does not increase when raising the temperature, contrary to what happens in LT MnBi. The saturation magnetization is approximately 3μB/f.u. at low temperatures. Thus, while this exact composition may not be application ready, it does show that alloying is a viable route to modifying the stability of this class of rare-earth-free magnet alloys.« less

  18. Insulin analog with additional disulfide bond has increased stability and preserved activity

    PubMed Central

    Vinther, Tine N; Norrman, Mathias; Ribel, Ulla; Huus, Kasper; Schlein, Morten; Steensgaard, Dorte B; Pedersen, Thomas Å; Pettersson, Ingrid; Ludvigsen, Svend; Kjeldsen, Thomas; Jensen, Knud J; Hubálek, František

    2013-01-01

    Insulin is a key hormone controlling glucose homeostasis. All known vertebrate insulin analogs have a classical structure with three 100% conserved disulfide bonds that are essential for structural stability and thus the function of insulin. It might be hypothesized that an additional disulfide bond may enhance insulin structural stability which would be highly desirable in a pharmaceutical use. To address this hypothesis, we designed insulin with an additional interchain disulfide bond in positions A10/B4 based on Cα-Cα distances, solvent exposure, and side-chain orientation in human insulin (HI) structure. This insulin analog had increased affinity for the insulin receptor and apparently augmented glucodynamic potency in a normal rat model compared with HI. Addition of the disulfide bond also resulted in a 34.6°C increase in melting temperature and prevented insulin fibril formation under high physical stress even though the C-terminus of the B-chain thought to be directly involved in fibril formation was not modified. Importantly, this analog was capable of forming hexamer upon Zn addition as typical for wild-type insulin and its crystal structure showed only minor deviations from the classical insulin structure. Furthermore, the additional disulfide bond prevented this insulin analog from adopting the R-state conformation and thus showing that the R-state conformation is not a prerequisite for binding to insulin receptor as previously suggested. In summary, this is the first example of an insulin analog featuring a fourth disulfide bond with increased structural stability and retained function. PMID:23281053

  19. Phase stability of thermal barrier oxides based on t'-zirconia with trivalent oxide additions

    NASA Astrophysics Data System (ADS)

    Rebollo Franco, Noemi Rosa

    Zirconia stabilized with 7+/-1 wt.% addition of yttria (7YSZ) is widely used for thermal barrier coatings (TBC's) on actively cooled gas turbine components, selected partly because of its superior durability under thermal cyclic conditions. As deposited, 7YSZ occurs as a metastable single-phase tetragonal solid solution (t') that is thermodynamically stable against the deleterious transformation to monoclinic upon cooling. However, at high temperatures t' is driven to decompose diffusionally into an equilibrium mixture of high-Y cubic and low-Y tetragonal; the latter becomes transformable to monoclinic compromising the mechanical integrity of the system. This dissertation explores the effects of trivalent stabilizers, including Y, Sc and selected rare-earth oxides (REO's), on the phase stability of the resulting solid solutions in zirconia. The REO additions are of interest because they can potentially enhance the insulation efficiency on the coating allowing higher operating temperatures. However, understanding of their effects on phase stability and potentially on cyclic durability at the projected use temperature in next generation engines (1200-1400°C) is insufficient to guide the design of coatings with the desirable combination of lower thermal conductivity and acceptable durability. Sc was also investigated because of previous reports on the higher phase stability of materials doped with Sc, and Y served as the baseline. The experimental approach is based on powders synthesized by reverse co-precipitation of precursor solutions, usually compacted and then subjected to a variety of heat treatments, following their evolution by means of X-ray diffractometry, dilatometry, transmission electron microscopy and Raman spectroscopy. The use of powders facilitated the synthesis of a wider range of compositions that would not have been possible by coating deposition approaches, and because the synthesis occurs at low temperature, it also enabled the starting

  20. Addition of carrageenan at different stages of winemaking for white wine protein stabilization.

    PubMed

    Marangon, Matteo; Stockdale, Vanessa J; Munro, Peter; Trethewey, Timra; Schulkin, Alex; Holt, Helen E; Smith, Paul A

    2013-07-03

    Carrageenan added at different stages of winemaking was assessed for its protein removal and impact on wine heat stability and on the chemical and sensorial profile of the wines. Carrageenan was added to a Semillon during fermentation and after fermentation and to finished wines, and the effect of each addition was compared to that of bentonite fining at the same time point. Data on protein concentration, heat stability, and bentonite requirement indicate that when added at the correct dosage carrageenan was very effective in stabilizing wines at dosages at least three times lower than those of bentonite. In addition, carrageenan treatment did not cause an increase in lees volume relative to bentonite and resulted in very similar chemical parameters to the unfined and bentonite-treated wine. Sensorially, although carrageenan-treated wine was significantly different from the unfined wine, the magnitude of difference did not vary significantly when compared to bentonite treatment. The feasibility of carrageenan use in a winery production setting will need to be determined by individual wineries, as technical issues including frothing, slower filterability, and risk of overfining will need to be considered relative to the benefits, particularly when carrageenan is used before or during fermentation.

  1. Dynamic compaction of yttria-stabilized zirconia with the addition of carbon-nanotubes

    NASA Astrophysics Data System (ADS)

    Sable, P. A.; LaJeunesse, J.; Sullivan, C.; Kamavaram, V.; Borg, J. P.

    2017-01-01

    Yttria-stabilized zirconia (YSZ) is a versatile ceramic utilized for its hardness as well as thermal stability. In these experiments, carbon nanotubes (3% and 5% by weight) were added to powdered YSZ before it was statically compacted. These compacted samples were then dynamically compressed and monitored using a Photon Doppler Velocimetry (PDV) system. The objective was to better develop an understanding of how carbon nano-tubes (CNT) affects the initial shock response of the powder system. Experiments indicate the CNT both steepen the rise and increase the Hugoniot state of the YSZ-CNT system as compared to YSZ alone. Additionally, the PDV data is in good agreement with simple hydrocode simulations. The results of experiments and simulations are discussed.

  2. Potential Additives to Promote Seal Swell in Synthetic Fuels and Their Effect on Thermal Stability

    SciTech Connect

    Link, D.D.; Gormley, R.J.; Baltrus, J.P.; Anderson, R.R.; Zandhuis, P.H.

    2008-03-01

    Synthetic fuels derived from the Fischer–Tropsch (F-T) process using natural gas or coal-derived synthesis gas as feedstocks can be used for powering ground vehicles, aircraft, and ships. Because of their chemical and physical properties, F-T fuels will probably require additives in order to meet specifications with respect to lubricity and seal swell capability for use in ground and air vehicles. Using both experimental and computational studies, the propensity of certain species to enhance the seal swell characteristics of synthetic fuels and surrogates has been determined, and promising additives have been identified. Important structural characteristics for potential additives, namely an aromatic ring along with a polar constituent, are described. The thermal stability of synthetic and surrogate fuels containing the single-component additive benzyl alcohol, which is representative of this structural class, has been determined by batch stressing of the mixtures at 350 °C for up to 12 h. Synthetic fuels spiked with benzyl alcohol at concentrations (vol %) of 1.0, 0.75, and 0.5 have demonstrated the ability to swell nitrile rubber o-rings to a comparable degree as petroleum jet fuel. Further, batch reactor studies have shown that addition of benzyl alcohol does not degrade the thermal oxidative stability of the fuel based on gravimetric analysis of the solid deposits after stressing. GC-MS was used to characterize the products from thermal stressing of neat and additized surrogate jet fuel, and their compositions were compared with respect to the creation of certain species and their potential effect on deposition.

  3. Effect of inorganic additives on solutions of nonionic surfactants V: Emulsion stability.

    PubMed

    Schott, H; Royce, A E

    1983-12-01

    Electrolytes often break emulsions to which they were added as active ingredients, adjuvants, or impurities. The stability of oil-in-water emulsions containing octoxynol 9 NF as the emulsifier and various added electrolytes was investigated by measuring droplet size, turbidity, and oil separation on storage at various temperatures and in a centrifugal field at 25 degrees. Electrolytes were added to hexadecane emulsions after emulsification (direct addition); alternatively, hexadecane was emulsified in octoxynol 9-electrolyte mixtures (reverse addition). Xylene emulsions were prepared by direct addition only. Hexadecane emulsions containing 0.10% octoxynol 9 were considerably more stable than xylene emulsions containing 0.60% because the surfactant is practically insoluble in hexadecane, but miscible in all proportions with xylene. An emulsifier soluble in the disperse phase as well as the continuous phase evidently forms less stable interfacial films. The electrolytes investigated were sulfuric and hydrochloric acids, magnesium nitrate, and aluminum nitrate, which salt octoxynol 9 in by complexation between its ether groups and their cations; sodium thiocyanate, which salts the surfactant in by destructuring water; and sodium chloride and sodium sulfate, which salt octoxynol 9 out. The addition of these electrolytes at concentrations up to 2 or 3 m to hexadecane emulsions produced fast and extensive creaming, little or no flocculation, no coalescence, and only minor changes in droplet size or turbidity on storage at room temperature. The extent of coalescence during centrifugation was actually reduced by the additives. Such stability is unusual. Droplet size and turbidity depended mainly on octoxynol 9 concentration. The greatest decrease in the former and increase in the latter occurred when the concentration was increased from 0.10 to approximately 0.4%. All emulsions became slightly coarser on storage at 25 degrees. Stability at 50 degrees was impaired by

  4. Stochastic Identification of Stability of Competitive Interactions in Ecosystems

    PubMed Central

    Vach, Marek; Vachová, Pavla

    2016-01-01

    The problem of finding an optimum within a set of possibilities that represent the varying successfulness of numerous subjects competing with one another is highly relevant in the field of ecosystem interactions. We propose a method for solving this problem by the application of the Nash equilibrium concept, which is frequently used in ecology. The proposed model is based on the transformation of the initial payoff vectors of subjects that interact in different situations into a statistical set of symmetrical game matrices that consist of permutations of payoff values. The equilibrium solution is expressed as values of the probability of Nash equilibrium occurrence with uniform distribution over all possible permutations based on uncertainty of positions of payoff values in the matrix. We assume that this equilibrium solution provides information on the distribution of the degree of stability among individual situations and interacting subjects. In this paper, we validate this assumption and demonstrate its application to a dataset that represents interspecies interactions in plant ecology. We propose that the use of the Nash equilibrium in the analysis of datasets formalized according to the Pareto optimality scheme is applicable in numerous other contexts. PMID:27171283

  5. Microfluidic EDGE emulsification: the importance of interface interactions on droplet formation and pressure stability

    NASA Astrophysics Data System (ADS)

    Sahin, Sami; Bliznyuk, Olesya; Rovalino Cordova, Ana; Schroën, Karin

    2016-05-01

    The fact that interactions of components with interfaces can influence processes is well-known; e.g. deposit accumulation on heat exchangers and membrane fouling lead to additional resistances against heat and mass transfer, respectively. In microfluidic emulsification, the situation is even more complex. Component accumulation at the liquid/liquid interface is necessary for emulsion stability, while undesired at the solid/liquid interface where it may change wettability. For successful emulsification both aspects need to be controlled, and that is investigated in this paper for o/w emulsification with microfluidic EDGE devices. These devices were characterised previously, and can be used to detect small wettability changes through e.g. the pressure stability of the device. We used various oil/emulsifier combinations (alkanes, vegetable oil, surfactants and proteins) and related droplet size and operational pressure stability to component interactions with the solid surface and liquid interface. Surfactants with a strong interaction with glass always favour emulsification, while surfactants that have week interactions with the surface can be replaced by vegetable oil that interacts strongly with glass, resulting in loss of emulsification. Our findings clearly show that an appropriate combination of construction material and emulsion components is needed to achieve successful emulsification in microfluidic EDGE devices.

  6. Microfluidic EDGE emulsification: the importance of interface interactions on droplet formation and pressure stability

    PubMed Central

    Sahin, Sami; Bliznyuk, Olesya; Rovalino Cordova, Ana; Schroën, Karin

    2016-01-01

    The fact that interactions of components with interfaces can influence processes is well-known; e.g. deposit accumulation on heat exchangers and membrane fouling lead to additional resistances against heat and mass transfer, respectively. In microfluidic emulsification, the situation is even more complex. Component accumulation at the liquid/liquid interface is necessary for emulsion stability, while undesired at the solid/liquid interface where it may change wettability. For successful emulsification both aspects need to be controlled, and that is investigated in this paper for o/w emulsification with microfluidic EDGE devices. These devices were characterised previously, and can be used to detect small wettability changes through e.g. the pressure stability of the device. We used various oil/emulsifier combinations (alkanes, vegetable oil, surfactants and proteins) and related droplet size and operational pressure stability to component interactions with the solid surface and liquid interface. Surfactants with a strong interaction with glass always favour emulsification, while surfactants that have week interactions with the surface can be replaced by vegetable oil that interacts strongly with glass, resulting in loss of emulsification. Our findings clearly show that an appropriate combination of construction material and emulsion components is needed to achieve successful emulsification in microfluidic EDGE devices. PMID:27230981

  7. Stabilization of perturbed Boolean network attractors through compensatory interactions

    PubMed Central

    2014-01-01

    Background Understanding and ameliorating the effects of network damage are of significant interest, due in part to the variety of applications in which network damage is relevant. For example, the effects of genetic mutations can cascade through within-cell signaling and regulatory networks and alter the behavior of cells, possibly leading to a wide variety of diseases. The typical approach to mitigating network perturbations is to consider the compensatory activation or deactivation of system components. Here, we propose a complementary approach wherein interactions are instead modified to alter key regulatory functions and prevent the network damage from triggering a deregulatory cascade. Results We implement this approach in a Boolean dynamic framework, which has been shown to effectively model the behavior of biological regulatory and signaling networks. We show that the method can stabilize any single state (e.g., fixed point attractors or time-averaged representations of multi-state attractors) to be an attractor of the repaired network. We show that the approach is minimalistic in that few modifications are required to provide stability to a chosen attractor and specific in that interventions do not have undesired effects on the attractor. We apply the approach to random Boolean networks, and further show that the method can in some cases successfully repair synchronous limit cycles. We also apply the methodology to case studies from drought-induced signaling in plants and T-LGL leukemia and find that it is successful in both stabilizing desired behavior and in eliminating undesired outcomes. Code is made freely available through the software package BooleanNet. Conclusions The methodology introduced in this report offers a complementary way to manipulating node expression levels. A comprehensive approach to evaluating network manipulation should take an "all of the above" perspective; we anticipate that theoretical studies of interaction modification

  8. The roles of amensalistic and commensalistic interactions in large ecological network stability

    NASA Astrophysics Data System (ADS)

    Mougi, Akihiko

    2016-07-01

    Ecological communities comprise diverse species and their interactions. Notably, ecological and evolutionary studies have revealed that reciprocal interactions such as predator–prey, competition, and mutualism, are key drivers of community dynamics. However, there is an argument that many species interactions are asymmetric, where one species unilaterally affects another species (amensalism or commensalism). This raises the unanswered question of what is the role of unilateral interactions in community dynamics. Here I use a theoretical approach to demonstrate that unilateral interactions greatly enhance community stability. The results suggested that amensalism and commensalism were more stabilizing than symmetrical interactions, such as competition and mutualism, but they were less stabilizing than an asymmetric antagonistic interaction. A mix of unilateral interactions increased stability. Furthermore, in communities with all interaction types, unilateral interactions tended to increase stability. This study suggests that unilateral interactions play a major role in maintaining communities, underlining the need to further investigate their roles in ecosystem dynamics.

  9. The roles of amensalistic and commensalistic interactions in large ecological network stability

    PubMed Central

    Mougi, Akihiko

    2016-01-01

    Ecological communities comprise diverse species and their interactions. Notably, ecological and evolutionary studies have revealed that reciprocal interactions such as predator–prey, competition, and mutualism, are key drivers of community dynamics. However, there is an argument that many species interactions are asymmetric, where one species unilaterally affects another species (amensalism or commensalism). This raises the unanswered question of what is the role of unilateral interactions in community dynamics. Here I use a theoretical approach to demonstrate that unilateral interactions greatly enhance community stability. The results suggested that amensalism and commensalism were more stabilizing than symmetrical interactions, such as competition and mutualism, but they were less stabilizing than an asymmetric antagonistic interaction. A mix of unilateral interactions increased stability. Furthermore, in communities with all interaction types, unilateral interactions tended to increase stability. This study suggests that unilateral interactions play a major role in maintaining communities, underlining the need to further investigate their roles in ecosystem dynamics. PMID:27406267

  10. Activation and Stabilization of Olive Recombinant 13-Hydroperoxide Lyase Using Selected Additives.

    PubMed

    Jacopini, Sabrina; Vincenti, Sophie; Mariani, Magali; Brunini-Bronzini de Caraffa, Virginie; Gambotti, Claude; Desjobert, Jean-Marie; Muselli, Alain; Costa, Jean; Tomi, Félix; Berti, Liliane; Maury, Jacques

    2016-12-24

    The stabilization of olive recombinant hydroperoxide lyases (rHPLs) was investigated using selected chemical additives. Two rHPLs were studied: HPL full-length and HPL with its chloroplast transit peptide deleted (matured HPL). Both olive rHPLs are relatively stable at 4 °C, and enzyme activity can be preserved (about 100% of the rHPL activities are maintained) during 5 weeks of storage at -20 or at -80 °C in the presence of glycerol (10%, v/v). Among the additives used in this study, glycine (2.5% w/v), NaCl (0.5 M), and Na2SO4 (0.25 M) provided the highest activation of HPL full-length activity, while the best matured HPL activity was obtained with Na2SO4 (0.25 M) and NaCl (1 M). Although the inactivation rate constants (k) showed that these additives inactivate both rHPLs, their use is still relevant as they strongly increase HPL activity. Results of C6-aldehyde production assays also showed that glycine, NaCl, and Na2SO4 are appropriate additives and that NaCl appears to be the best additive, at least for hexanal production.

  11. Additives for vaccine storage to improve thermal stability of adenoviruses from hours to months

    NASA Astrophysics Data System (ADS)

    Pelliccia, Maria; Andreozzi, Patrizia; Paulose, Jayson; D'Alicarnasso, Marco; Cagno, Valeria; Donalisio, Manuela; Civra, Andrea; Broeckel, Rebecca M.; Haese, Nicole; Jacob Silva, Paulo; Carney, Randy P.; Marjomäki, Varpu; Streblow, Daniel N.; Lembo, David; Stellacci, Francesco; Vitelli, Vincenzo; Krol, Silke

    2016-11-01

    Up to 80% of the cost of vaccination programmes is due to the cold chain problem (that is, keeping vaccines cold). Inexpensive, biocompatible additives to slow down the degradation of virus particles would address the problem. Here we propose and characterize additives that, already at very low concentrations, improve the storage time of adenovirus type 5. Anionic gold nanoparticles (10-8-10-6 M) or polyethylene glycol (PEG, molecular weight ~8,000 Da, 10-7-10-4 M) increase the half-life of a green fluorescent protein expressing adenovirus from ~48 h to 21 days at 37 °C (from 7 to >30 days at room temperature). They replicate the known stabilizing effect of sucrose, but at several orders of magnitude lower concentrations. PEG and sucrose maintained immunogenicity in vivo for viruses stored for 10 days at 37 °C. To achieve rational design of viral-vaccine stabilizers, our approach is aided by simplified quantitative models based on a single rate-limiting step.

  12. Additives for vaccine storage to improve thermal stability of adenoviruses from hours to months

    PubMed Central

    Pelliccia, Maria; Andreozzi, Patrizia; Paulose, Jayson; D'Alicarnasso, Marco; Cagno, Valeria; Donalisio, Manuela; Civra, Andrea; Broeckel, Rebecca M.; Haese, Nicole; Jacob Silva, Paulo; Carney, Randy P.; Marjomäki, Varpu; Streblow, Daniel N.; Lembo, David; Stellacci, Francesco; Vitelli, Vincenzo; Krol, Silke

    2016-01-01

    Up to 80% of the cost of vaccination programmes is due to the cold chain problem (that is, keeping vaccines cold). Inexpensive, biocompatible additives to slow down the degradation of virus particles would address the problem. Here we propose and characterize additives that, already at very low concentrations, improve the storage time of adenovirus type 5. Anionic gold nanoparticles (10−8–10−6 M) or polyethylene glycol (PEG, molecular weight ∼8,000 Da, 10−7–10−4 M) increase the half-life of a green fluorescent protein expressing adenovirus from ∼48 h to 21 days at 37 °C (from 7 to >30 days at room temperature). They replicate the known stabilizing effect of sucrose, but at several orders of magnitude lower concentrations. PEG and sucrose maintained immunogenicity in vivo for viruses stored for 10 days at 37 °C. To achieve rational design of viral-vaccine stabilizers, our approach is aided by simplified quantitative models based on a single rate-limiting step. PMID:27901019

  13. Stability of Dirac Liquids with Strong Coulomb Interaction

    NASA Astrophysics Data System (ADS)

    Tupitsyn, Igor S.; Prokof'ev, Nikolay V.

    2017-01-01

    We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln (L )˜40 ), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T =0 state with divergent Fermi velocity.

  14. Growth and stability of interacting surface flaws of arbitrary shape

    NASA Technical Reports Server (NTRS)

    Murakami, Y.; Nemat-Nasser, S.

    1983-01-01

    Growth regimes of interacting surface flaws of arbitrary shape are analyzed with the aid of the body force method, and the stability of the process is assessed on the basis of the variation of the load during the growth. It is shown that irregularly shaped flaws are often associated with very high stress intensity factors locally, which tend to change as the flaws grow into more regular shapes. Several examples of various flaw shapes are worked out for illustration, and it is shown that a simple formula seems to provide an accurate estimate of the maximum stress intensity factor for surface flaws of various shapes, which are not very slender. The formula involves the overall maximum tension, as well as the area of the projection of the flaw on the plane normal to the maximum tension.

  15. Stability of Glutamate-Aspartate Cardioplegia Additive Solution in Polyolefin IV Bags

    PubMed Central

    Rush, Steven D.; Kim, Stephanie E.; Hughes, Susan E.; Gilbert, Justine M.; Ciancaglini, Peter P.

    2015-01-01

    Objective: Glutamate-aspartate cardioplegia additive solution (GACAS) is used to enhance myocardial preservation and left ventricular function during some cardiac surgeries. This study was designed to evaluate the stability of compounded GACAS stored in sterile polyolefin intravenous (IV) bags. The goal is to extend the default USP beyond-use date (BUD) and reduce unnecessary inventory waste. Methods: GACAS was compounded and packaged in sterile polyolefin 250 mL IV bags. The concentration was 232 mM for each amino acid. The samples were stored under refrigeration (2°C-8°C) and analyzed at 0, 1, and 2 months. At each time point, the samples were evaluated by pH measurement and visual inspection for color, clarity, and particulates. The samples were also analyzed by high-performance liquid chromatography (HPLC) for potency and degradation products. Due to the lack of ultraviolet (UV) chromophores of glutamate and aspartate, the samples were derivatized by ortho-phthalaldehyde prior to HPLC analysis. Results: The time zero samples of GACAS passed the physical, chemical, and microbiological tests. Over 2 months of storage, there was no significant change in pH or visual appearance for any of the stability samples. The HPLC results also indicated that the samples retained 101% to 103% of the label claim strengths for both amino acids. Conclusion: The physical and chemical stability of extemporaneously prepared GACAS has been confirmed for up to 2 months in polyolefin IV bags stored under refrigeration. With proper sterile compounding practice and microbiology testing, the BUD of this product can be extended to 2 months. PMID:26405344

  16. Traveling-wave Ion Mobility-Mass Spectrometry Reveals Additional Mechanistic Details in the Stabilization of Protein Complex Ions through Tuned Salt Additives

    PubMed Central

    Han, Linjie; Ruotolo, Brandon T.

    2013-01-01

    Ion mobility–mass spectrometry is often applied to the structural elucidation of multiprotein assemblies in cases where X-ray crystallography or NMR experiments have proved challenging. Such applications are growing steadily as we continue to probe regions of the proteome that are less-accessible to such high-resolution structural biology tools. Since ion mobility measures protein structure in the absence of bulk solvent, strategies designed to more-broadly stabilize native-like protein structures in the gas-phase would greatly enable the application of such measurements to challenging structural targets. Recently, we have begun investigating the ability of salt-based solution additives that remain bound to protein ions in the gas-phase to stabilize native-like protein structures. These experiments, which utilize collision induced unfolding and collision induced dissociation in a tandem mass spectrometry mode to measure protein stability, seek to develop a rank-order similar to the Hofmeister series that categorizes the general ability of different anions and cations to stabilize gas-phase protein structure. Here, we study magnesium chloride as a potential stabilizing additive for protein structures in vacuo, and find that the addition of this salt to solutions prior to nano-electrospray ionization dramatically enhances multiprotein complex structural stability in the gas-phase. Based on these experiments, we also refine the physical mechanism of cation-based protein complex ion stabilization by tracking the unfolding transitions experienced by cation-bound complexes. Upon comparison with unbound proteins, we find strong evidence that stabilizing cations act to tether protein complex structure. We conclude by putting the results reported here in context, and by projecting the future applications of this method. PMID:23539363

  17. Enhancement of poly(3-hydroxybutyrate) thermal and processing stability using a bio-waste derived additive.

    PubMed

    Persico, Paola; Ambrogi, Veronica; Baroni, Antonio; Santagata, Gabriella; Carfagna, Cosimo; Malinconico, Mario; Cerruti, Pierfrancesco

    2012-12-01

    Poly(3-hydroxybutyrate) (PHB) is a biodegradable polymer, whose applicability is limited by its brittleness and narrow processing window. In this study a pomace extract (EP), from the bio-waste of winery industry, was used as thermal and processing stabilizer for PHB, aimed to engineer a totally bio-based system. The results showed that EP enhanced the thermal stability of PHB, which maintained high molecular weights after processing. This evidence was in agreement with the slower decrease in viscosity over time observed by rheological tests. EP also affected the melt crystallization kinetics and the overall crystallinity extent. Finally, dynamic mechanical and tensile tests showed that EP slightly improved the polymer ductility. The results are intriguing, in view of the development of sustainable alternatives to synthetic polymer additives, thus increasing the applicability of bio-based materials. Moreover, the reported results demonstrated the feasibility of the conversion of an agro-food by-product into a bio-resource in an environmentally friendly and cost-effective way.

  18. Improved stability of chokeberry juice anthocyanins by β-cyclodextrin addition and refrigeration.

    PubMed

    Howard, Luke R; Brownmiller, Cindi; Prior, Ronald L; Mauromoustakos, Andy

    2013-01-23

    Chokeberry anthocyanins are susceptible to degradation during processing and storage of processed products. This study determined the effects of three pH levels (2.8, 3.2, and 3.6) and four β-cyclodextrin (BCD) concentrations (0, 0.5, 1, and 3%) alone and in combination on the stability of chokeberry juice anthocyanins before and after pasteurization and over 8 months of storage at 4 and 25 °C. Lowering the pH from 3.6 to 2.8 in the absence of BCD provided marginal protection against anthocyanin losses during processing and storage. Addition of 3% BCD at the natural chokeberry pH of 3.6 resulted in excellent protection of anthocyanins, with 81 and 95% retentions after 8 months of storage at 25 and 4 °C, respectively. The protective effect of BCD was lessened with concentrations <3% and reduction in pH, indicating changes in anthocyanin structure play an important role in BCD stabilization of anthocyanins.

  19. Evaluation of the JP-8+100 additive candidates in the extended duration thermal stability test system

    SciTech Connect

    Binns, K.E.; Dieterle, G.L.

    1996-10-01

    The most promising JP-8+100 additive candidates consists of dispersants, detergents, antioxidants and metal deactivators. A series of tests were conducted in the Extended Duration Thermal Stability Test System to determine the thermal stability effects of the individual JP-8+100 additives and combinations of the additives. This paper will cover the test results and their relationship to future aircraft fuel systems. The Extended Duration Thermal Stability Test System was designed to conduct long duration tests at non-accelerated temperature conditions and resident times representative or aircraft/engine fuel systems. This system and its operating characteristics will also be covered in this paper.

  20. Direct interaction with filamins modulates the stability and plasma membrane expression of CFTR

    PubMed Central

    Thelin, William R.; Chen, Yun; Gentzsch, Martina; Kreda, Silvia M.; Sallee, Jennifer L.; Scarlett, Cameron O.; Borchers, Christoph H.; Jacobson, Ken; Stutts, M. Jackson; Milgram, Sharon L.

    2007-01-01

    The role of the cystic fibrosis transmembrane conductance regulator (CFTR) as a cAMP-dependent chloride channel on the apical membrane of epithelia is well established. However, the processes by which CFTR is regulated on the cell surface are not clear. Here we report the identification of a protein-protein interaction between CFTR and the cytoskeletal filamin proteins. Using proteomic approaches, we identified filamins as proteins that associate with the extreme CFTR N terminus. Furthermore, we identified a disease-causing missense mutation in CFTR, serine 13 to phenylalanine (S13F), which disrupted this interaction. In cells, filamins tethered plasma membrane CFTR to the underlying actin network. This interaction stabilized CFTR at the cell surface and regulated the plasma membrane dynamics and confinement of the channel. In the absence of filamin binding, CFTR was internalized from the cell surface, where it prematurely accumulated in lysosomes and was ultimately degraded. Our data demonstrate what we believe to be a previously unrecognized role for the CFTR N terminus in the regulation of the plasma membrane stability and metabolic stability of CFTR. In addition, we elucidate the molecular defect associated with the S13F mutation. PMID:17235394

  1. Single Crystal Fibers of Yttria-Stabilized Cubic Zirconia with Ternary Oxide Additions

    NASA Technical Reports Server (NTRS)

    Ritzert, F. J.; Yun, H. M.; Miner, R. V.

    1997-01-01

    Single crystal fibers of yttria (Y2O3)-stabilized cubic zirconia, (ZrO2) with ternary oxide additions were grown using the laser float zone fiber processing technique. Ternary additions to the ZrO2-Y2O3 binary system were studied aimed at increasing strength while maintaining the high coefficient of thermal expansion of the binary system. Statistical methods aided in identifying the most promising ternary oxide candidate (Ta2O5, Sc2O3, and HfO2) and optimum composition. The yttria, range investigated was 14 to 24 mol % and the ternary oxide component ranged from 1 to 5 mol %. Hafnium oxide was the most promising ternary oxide component based on 816 C tensile strength results and ease of fabrication. The optimum composition for development was 81 ZrO2-14 Y203-5 HfO2 based upon the same elevated temperature strength tests. Preliminary results indicate process improvements could improve the fiber performance. We also investigated the effect of crystal orientation on strength.

  2. Carbon doped PDMS: conductance stability over time and implications for additive manufacturing of stretchable electronics

    NASA Astrophysics Data System (ADS)

    Tavakoli, Mahmoud; Rocha, Rui; Osorio, Luis; Almeida, Miguel; de Almeida, Anibal; Ramachandran, Vivek; Tabatabai, Arya; Lu, Tong; Majidi, Carmel

    2017-03-01

    Carbon doped PDMS (cPDMS), has been used as a conductive polymer for stretchable electronics. Compared to liquid metals, cPDMS is low cost and is easier to process or to print with an additive manufacturing process. However, changes on the conductance of the carbon based conductive PDMS (cPDMS) were observed over time, in particular after integration of cPDMS and the insulating polymer. In this article we investigate the process parameters that lead to improved stability over conductance of the cPDMS over time. Slight modifications to the fabrication process parameters were conducted and changes on the conductance of the samples for each method were monitored. Results suggested that change of the conductance happens mostly after integration of a pre-polymer over a cured cPDMS, and not after integration of the cPDMS over a cured insulating polymer. We show that such changes can be eliminated by adjusting the integration priority between the conductive and insulating polymers, by selecting the right curing temperature, changing the concentration of the carbon particles and the thickness of the conductive traces, and when possible by changing the insulating polymer material. In this way, we obtained important conclusions regarding the effect of these parameters on the change of the conductance over time, that should be considered for additive manufacturing of soft electronics. Also, we show that these changes can be possibly due to the diffusion from PDMS into cPDMS.

  3. Reactive Additive Stabilization Process (RASP) for hazardous and mixed waste vitrification

    SciTech Connect

    Jantzen, C.M.; Pickett, J.B.; Ramsey, W.G.

    1993-07-01

    Solidification of hazardous/mixed wastes into glass is being examined at the Savannah River Site (SRS) for (1) nickel plating line (F006) sludges and (2) incinerator wastes. Vitrification of these wastes using high surface area additives, the Reactive Additive Stabilization Process (RASP), has been determined to greatly enhance the dissolution and retention of hazardous, mixed, and heavy metal species in glass. RASP lowers melt temperatures (typically 1050-- 1150{degrees}C), thereby minimizing volatility concerns during vitrification. RASP maximizes waste loading (typically 50--75 wt% on a dry oxide basis) by taking advantage of the glass forming potential of the waste. RASP vitrification thereby minimizes waste disposal volume (typically 86--97 vol. %), and maximizes cost savings. Solidification of the F006 plating line sludges containing depleted uranium has been achieved in both soda-lime-silica (SLS) and borosilicate glasses at 1150{degrees}C up to waste loadings of 75 wt%. Solidification of incinerator blowdown and mixtures of incinerator blowdown and bottom kiln ash have been achieved in SLS glass at 1150{degrees}C up to waste loadings of 50% using RASP. These waste loadings correspond to volume reductions of 86 and 94 volume %, respectively, with large associated savings in storage costs.

  4. A study of the interactions that stabilize DNA frayed wires.

    PubMed

    Abu-Ghazalah, Rashid M; Irizar, Juan; Helmy, Amr S; Macgregor, Robert B

    2010-04-01

    Oligodeoxyribonucleotides (ODNs) with long, terminal runs of consecutive guanines, and either a dA or dT tract at the other end form higher-order structures called DNA frayed wires. These aggregates self-assemble into species consisting of 2, 3, 4, 5, ... associated strands. Some of the remarkable features of these structures are their extreme thermostability and resistance to chemical denaturants and nucleases. However, the nature of the molecular interactions that stabilize these structures remains unclear. Based on dimethyl sulfate (DMS) methylation results, our group previously proposed DNA frayed wires to be a unique set of nucleic-acid assemblies in which the N7 of guanine does not participate in the guanine-guanine interactions. To probe the hydrogen bonding involved in the stabilization of d(A(15)G(15)) frayed wires, we used Raman spectroscopy in which the DNA sample is held in photonic crystal fibers. This technique significantly enhances the signals thus allowing the use of very low laser power. Based on our results for d(A(15)G(15)) and those of incorporating the isoelectronic guanine analog pyrazolo[3,4,-d]pyrimidine or PPG, into a frayed wire-forming sequence, we provide evidence that these structures are based on the G-quadruplex model. Furthermore, from the Raman spectrum, we observed markers that are consistent with the presence of deoxyguanosine residues in the syn conformation, this suggests the presence of anti-parallel G-quadruplexes. To identify the species that contain syn guanine residues, we used circular dichroism and gel electrophoresis to study an ODN in which all of the guanine residues were brominated, d(A(15)(8-Br)G(15)). In the presence of potassium, d(A(15)(8-Br)G(15)) forms what appears to be an anti-parallel dimeric G-quadruplex. To our knowledge, this is the first report of a DNA sequence having all its guanine residues replaced by 8-bromo-guanine and maintaining its ability to form a G-quadruplex structure.

  5. Stability of a skyrmion and interaction of magnons

    NASA Astrophysics Data System (ADS)

    Aristov, D. N.; Matveeva, P. G.

    2016-12-01

    The stability of a single Belavin-Polyakov (BP) skyrmion in an isotropic Heisenberg ferromagnet is studied. Such a skyrmion is higher in energy than the uniform ferromagnetic state and is thus metastable. Starting from the lattice model in two spatial dimensions and using Maleyev-Dyson representation for spin operators, we examine the effects of magnon-magnon interaction for two quantities at T =0 . First, we discuss self-energy corrections to the magnon energy. Second, we analyze the two-particle Green's function and possible bound states of two magnons. The simplicity of the model makes possible full analytic treatment of all relevant processes. We found that the magnons remain well-defined quasiparticles with a finite lifetime. The bound states of two magnons are suppressed near the skyrmion, although they are not excluded far away from it. A resonance for magnons of the dilational mode in the vicinity of the BP skyrmion is also found, which leads to a redistribution of the spectral weight. We conclude that the BP skyrmion as the classical topological object is not destroyed by quantum fluctuations.

  6. The enhanced stability and biodegradation of dispersed crude oil droplets by Xanthan Gum as an additive of chemical dispersant.

    PubMed

    Wang, Aiqin; Li, Yiming; Yang, Xiaolong; Bao, Mutai; Cheng, Hua

    2017-03-07

    It is necessary for chemical dispersant to disperse oil effectively and maintain the stability of oil droplets. In this work, Xanthan Gum (XG) was used as an environmentally friendly additive in oil dispersant formulation to enhance the stability and biodegradation of dispersed crude oil droplets. When XG was used together with chemical dispersant 9500A, the dispersion effectiveness of crude oil in artificial sea water (ASW) and the oil droplet stability were both greatly enhanced. In the presence of XG, lower concentration of 9500A was needed to achieve the effective dispersion and stabilization. In addition to the enhancement of dispersion and stabilization, it was found that the biodegradation rate of crude oil by bacteria was dramatically enhanced when a mixture of 9500A and XG was used as a dispersant. Because of the low environmental impact of XG, this would be a potential way to formulate the dispersant with lower toxicity.

  7. NMR Solution Structure, Stability, and Interaction of the Recombinant Bovine Fibrinogen αC-Domain Fragment†

    PubMed Central

    Burton, Robert A.; Tsurupa, Galina; Hantgan, Roy R.; Tjandra, Nico; Medved, Leonid

    2008-01-01

    According to the current hypothesis, in fibrinogen, the COOH-terminal portions of two Aα chains are folded into compact αC-domains that interact intramolecularly with each other and with the central region of the molecule; in fibrin, the αC-domains switch to an intermolecular interaction resulting in αC polymers. In agreement, our recent NMR study identified within the bovine fibrinogen Aα374-538 αC-domain fragment an ordered compact structure including a β-hairpin restricted at the base by a 423–453 disulfide linkage. To establish the complete structure of the αC-domain and to further test the hypothesis, we expressed a shorter αC-fragment, Aα406-483, and performed detailed analysis of its structure, stability, and interactions. NMR experiments on the Aα406-483 fragment identified a second loose β-hairpin formed by residues 459–476, yielding a structure consisting of an intrinsically unstable mixed parallel/anti-parallel β-sheet. Size-exclusion chromatography and sedimentation velocity experiments revealed that the Aα406-483 fragment forms soluble oligomers whose fraction increases with increasing concentration. This was confirmed by sedimentation equilibrium analysis, which also revealed that the addition of each monomer to an assembling αC oligomer substantially increases its stabilizing free energy. In agreement, unfolding experiments monitored by CD established that oligomerization of Aα406-483 results in increased thermal stability. Altogether, these experiments establish the complete NMR solution structure of the Aα406-483 αC-domain fragment, provide direct evidence for the intra- and intermolecular interactions between the αC-domains, and confirm that these interactions are thermodynamically driven. PMID:17590019

  8. Relative stability of the FCC and HCP polymorphs with interacting polymers.

    PubMed

    Mahynski, Nathan A; Kumar, Sanat K; Panagiotopoulos, Athanassios Z

    2015-01-14

    Recent work [Mahynski et al., Nat. Commun., 2014, 5, 4472] has demonstrated that the addition of long linear homopolymers thermodynamically biases crystallizing hard-sphere colloids to produce the hexagonal close-packed (HCP) polymorph over the closely related face-centered cubic (FCC) structure when the polymers and colloids are purely repulsive. In this report, we investigate the effects of thermal interactions on each crystal polymorph to explore the possibility of stabilizing the FCC crystal structure over the HCP. We find that the HCP polymorph remains at least as stable as its FCC counterpart across the entire range of interactions we explored, where interactions were quantified by the reduced second virial coefficient, -1.50 < B < 1.01. This metric conveniently characterizes the crossover from entropically to energetically dominated systems at B ≈ 0. While the HCP relies on its octahedral void arrangement for enhanced stability when B > 0, its tetrahedral voids produce a similar effect when B < 0 (i.e. when energetics dominate). Starting from this, we derive a mean-field expression for the free energy of an infinitely-dilute polymer adsorbed in the crystal phase for nonzero B. Our results reveal that co-solute biasing of a single polymorph can still be observed in experimentally realizable scenarios when the colloids and polymers have attractive interactions, and provide a possible explanation for the experimental finding that pure FCC crystals are elusive in these binary mixtures.

  9. Increasing protein stability by polar surface residues : domain-wide consequences of interactions within a loop.

    SciTech Connect

    Pokkuluri, P. R.; Raffen, R.; Dieckman, L.; Boogaard, C.; Stevens, F. J.; Schiffer, M.; Biosciences Division; C. Boogaard

    2002-01-01

    We have examined the influence of surface hydrogen bonds on the stability of proteins by studying the effects of mutations of human immunoglobulin light chain variable domain (V(L)). In addition to the variants Y27dD, N28F, and T94H of protein kappa IV Len that were previously described, we characterized mutants M4L, L27cN, L27cQ, and K39T, double mutant M4L/Y27dD, and triple mutant M4L/Y27dD/T94H. The triple mutant had an enhanced thermodynamic stability of 4.2 kcal/mol. We determined the structure of the triple mutant by x-ray diffraction and correlated the changes in stability due to the mutations with changes in the three-dimensional structure. Y27dD mutant had increased stability of Len by 2.7 kcal/mol, a large value for a single mutation. Asp27d present in CDR1 formed hydrogen bonds with the side-chain and main-chain atoms within the loop. In the case of the K39T mutant, which reduces stability by 2 kcal/mol, Lys39 in addition to forming a hydrogen bond with a carbonyl oxygen of a neighboring loop may also favorably influence the surface electrostatics of the molecule. We showed that hydrogen bonds between residues in surface loops can add to the overall stability of the V(L) domains. The contribution to stability is further increased if the surface residue makes more than one hydrogen bond or if it forms a hydrogen bond between neighboring turns or loops separated from each other in the amino acid sequence. Based on our experiments we suggest that stabilization of proteins might be systematically accomplished by introducing additional hydrogen bonds on the surface. These substitutions are more straightforward to predict than core-packing interactions and can be selected to avoid affecting the protein's function.

  10. An additional role for the Brønsted acid-base catalysts of mandelate racemase in transition state stabilization.

    PubMed

    Nagar, Mitesh; Bearne, Stephen L

    2015-11-10

    Mandelate racemase (MR) catalyzes the interconversion of the enantiomers of mandelate and serves as a paradigm for understanding the enzyme-catalyzed abstraction of an α-proton from a carbon acid substrate with a high pKa. The enzyme utilizes a two-base mechanism with Lys 166 and His 297 acting as Brønsted acid and base catalysts, respectively, in the R → S reaction direction. In the S → R reaction direction, their roles are reversed. Using isothermal titration calorimetry (ITC), MR is shown to bind the intermediate/transition state (TS) analogue inhibitor benzohydroxamate (BzH) in an entropy-driven process with a value of ΔCp equal to -358 ± 3 cal mol(-1) K(-1), consistent with an increased number of hydrophobic interactions. However, MR binds BzH with an affinity that is ∼2 orders of magnitude greater than that predicted solely on the basis of hydrophobic interactions [St. Maurice, M., and Bearne, S. L. (2004) Biochemistry 43, 2524], suggesting that additional specific interactions contribute to binding. To test the hypothesis that cation-π/NH-π interactions between the side chains of Lys 166 and His 297 and the aromatic ring and/or the hydroxamate/hydroximate moiety of BzH contribute to the binding of BzH, site-directed mutagenesis was used to generate the MR variants K166M, K166C, H297N, and K166M/H297N and their binding affinity for various ligands determined using ITC. Comparison of the binding affinities of these MR variants with the intermediate/TS analogues BzH and cyclohexanecarbohydroxamate revealed that cation-π/NH-π interactions between His 297 and the hydroxamate/hydroximate moiety and the phenyl ring of BzH contribute approximately 0.26 and 0.91 kcal/mol to binding, respectively, while interactions with Lys 166 contribute approximately 1.74 and 1.74 kcal/mol, respectively. Similarly, comparison of the binding affinities of these mutants with substrate analogues revealed that Lys 166 contributes >2.93 kcal/mol to the binding of (R

  11. Glassy slags for minimum additive waste stabilization. Interim progress report, May 1993--February 1994

    SciTech Connect

    Feng, X.; Wronkiewicz, D.J.; Bates, J.K.; Brown, N.R.; Buck, E.C.; Dietz, N.L.; Gong, M.; Emery, J.W.

    1994-05-01

    Glassy slag waste forms are being developed to complement glass waste forms in implementing Minimum Additive Waste Stabilization (MAWS) for supporting DOE`s environmental restoration efforts. The glassy slag waste form is composed of various crystalline and metal oxide phases embedded in a silicate glass phase. The MAWS approach was adopted by blending multiple waste streams to achieve up to 100% waste loadings. The crystalline phases, such as spinels, are very durable and contain hazardous and radioactive elements in their lattice structures. These crystalline phases may account for up to 80% of the total volume of slags having over 80% metal loading. The structural bond strength model was used to quantify the correlation between glassy slag composition and chemical durability so that optimized slag compositions were obtained with limited crucible melting and testing. Slag compositions developed through crucible melts were also successfully generated in a pilot-scale Retech plasma centrifugal furnace at Ukiah, California. Utilization of glassy slag waste forms allows the MAWS approach to be applied to a much wider range of waste streams than glass waste forms. The initial work at ANL has indicated that glassy slags are good final waste forms because of (1) their high chemical durability; (2) their ability to incorporate large amounts of metal oxides; (3) their ability to incorporate waste streams having low contents of flux components; (4) their less stringent requirements on processing parameters, compared to glass waste forms; and (5) their low requirements for purchased additives, which means greater waste volume reduction and treatment cost savings.

  12. Addition of Grape Seed Extract Renders Phosphoric Acid a Collagen-stabilizing Etchant.

    PubMed

    Liu, Y; Dusevich, V; Wang, Y

    2014-08-01

    Previous studies found that grape seed extract (GSE), which is rich in proanthocyanidins, could protect demineralized dentin collagen from collagenolytic activities following clinically relevant treatment. Because of proanthocyanidin's adverse interference to resin polymerization, it was believed that GSE should be applied and then rinsed off in a separate step, which in effect increases the complexity of the bonding procedure. The present study aimed to investigate the feasibility of combining GSE treatment with phosphoric acid etching to address the issue. It is also the first attempt to formulate collagen-cross-linking dental etchants. Based on Fourier-transformed infrared spectroscopy and digestion assay, it was established that in the presence of 20% to 5% phosphoric acid, 30 sec of GSE treatment rendered demineralized dentin collagen inert to bacterial collagenase digestion. Based on this positive result, the simultaneous dentin etching and collagen protecting of GSE-containing phosphoric acid was evaluated on the premise of a 30-second etching time. According to micro-Raman spectroscopy, the formulation containing 20% phosphoric acid was found to lead to overetching. Based on scanning and transmission electronic microscopy, this same formulation exhibited unsynchronized phosphoric acid and GSE penetration. Therefore, addition of GSE did render phosphoric acid a collagen-stabilizing etchant, but the preferable phosphoric acid concentration should be <20%.

  13. The regulatory compliance plan for the Minimum Additive Waste Stabilization (MAWS) Program

    SciTech Connect

    Akgunduz, N.K.; Gimpel, R.F.; Finger, S.M.

    1993-01-27

    The Fernald Environmental Management Project (FEMP) has initiated the Minimum Additive Waste Stabilization (MAWS) Program to demonstrate and evaluate integrated treatment of the FEMP site`s Operable Unit 1 contaminated soils and sludges. The demonstration will require on-site operation of an integrated treatment system consisting of soil washing, water treatment by ion exchange, and vitrification of all contaminated solid wastes at a rate of 300 kg per day. Compliance with all relevant environmental regulations is a major priority of this program. Relevant regulatory requirements come under the jurisdiction of the US Environmental Protection Agency (US EPA), the Ohio Environmental Protection Agency (Ohio EPA), and the Department of Energy (DOE). The plethora of potentially applicable regulations were reviewed and an efficient regulatory compliance strategy developed. This strategy was documented in the MAWS Regulatory Compliance Plan which was presented to the regulatory agencies as a reasonable working plan. The FEMP has found the development of a comprehensive, organized regulatory plan to be critical to the successful implementation of integrated demonstration projects such as the MAWS Program. This paper discusses the approaches used in the MAWS Regulatory Compliance Plan and highlights which could prove useful for others that want to approach the DOE and/or EPA with technology demonstrations.

  14. Effect of temperature on the mass and color stability of additional photoinitiatorcontaining composite resins.

    PubMed

    Kim, Tae-Hyung; García-Godoy, Franklin; Ko, Ching-Chang; Park, Jeong-Kil; Kim, Hyung-Il; Kwon, Yong-Hoon

    2013-01-01

    The purpose of this study was to evaluate how the temperature affects the stability of polymerized additional photoinitiator-containing composite resins. Five resin products were light-cured using a quartz-tungsten-halogen, and single and dual emission peaks lightemitting diodes. The degree of conversion (DC) and water sorption, solubility, and color change of the specimens were evaluated after immersion in the solutions of different temperatures (4, 37, and 60ºC) for 14 days. On the top surface, the light-curing units had no significant influence on DC of the tested specimens. On the bottom surface, the influence was inconsistent. As the solution temperature increased, water sorption also consistently increased in all specimens, whereas solubility changed inconsistently. Water sorption and solubility had a high linear correlation only at low temperature solution. Color change of the specimens was similar, mostly slight, and statistically inconsistent regardless of solution temperature. The restored composite resins are needed to avoid contact with hot solutions for durable dental restoration.

  15. Identification of genomic regions for grain yield and yield stability and their epistatic interactions

    PubMed Central

    Sehgal, Deepmala; Autrique, Enrique; Singh, Ravi; Ellis, Marc; Singh, Sukhwinder; Dreisigacker, Susanne

    2017-01-01

    The task of identifying genomic regions conferring yield stability is challenging in any crop and requires large experimental data sets in conjunction with complex analytical approaches. We report findings of a first attempt to identify genomic regions with stable expression and their individual epistatic interactions for grain yield and yield stability in a large elite panel of wheat under multiple environments via a genome wide association mapping (GWAM) approach. Seven hundred and twenty lines were genotyped using genotyping-by-sequencing technology and phenotyped for grain yield and phenological traits. High gene diversity (0.250) and a moderate genetic structure (five groups) in the panel provided an excellent base for GWAM. The mixed linear model and multi-locus mixed model analyses identified key genomic regions on chromosomes 2B, 3A, 4A, 5B, 7A and 7B. Further, significant epistatic interactions were observed among loci with and without main effects that contributed to additional variation of up to 10%. Simple stepwise regression provided the most significant main effect and epistatic markers resulting in up to 20% variation for yield stability and up to 17% gain in yield with the best allelic combination. PMID:28145508

  16. Activation and stabilization of the hydroperoxide lyase enzymatic extract from mint leaves (Mentha spicata) using selected chemical additives.

    PubMed

    Akacha, Najla B; Karboune, Salwa; Gargouri, Mohamed; Kermasha, Selim

    2010-03-01

    The effects of selected lyoprotecting excipients and chemical additives on the specific activity and the thermal stability of the hydroperoxide lyase (HPL) enzymatic extract from mint leaves were investigated. The addition of KCl (5%, w/w) and dextran (2.5%, w/w) to the enzymatic extract, prior to lyophilization, increased the HPL specific activity by 2.0- and 1.2-fold, respectively, compared to the control lyophilized extract. From half-life time (t (1/2)), it can be seen that KCl has enhanced the HPL stability by 1.3- to 2.3-fold, during long-period storage at -20 degrees Celsius and 4 degrees Celsius. Among the selected additives used throughout this study, glycine appeared to be the most effective one. In addition to the activation effect conferred by glycine, it also enhanced the HPL thermal stability. In contrast, polyhydroxyl-containing additives were not effective for stabilizing the HPL enzymatic extract. On the other hand, there was no signification increase in HPL activity and its thermal stability with the presence of Triton X-100. The results also showed that in the presence of glycine (10%), the catalytic efficiency of HPL was increased by 2.45-fold than that without additive.

  17. Modulation of Additive and Interactive Effects in Lexical Decision by Trial History

    ERIC Educational Resources Information Center

    Masson, Michael E. J.; Kliegl, Reinhold

    2013-01-01

    Additive and interactive effects of word frequency, stimulus quality, and semantic priming have been used to test theoretical claims about the cognitive architecture of word-reading processes. Additive effects among these factors have been taken as evidence for discrete-stage models of word reading. We present evidence from linear mixed-model…

  18. Parental Anxiety and Child Symptomatology: An Examination of Additive and Interactive Effects of Parent Psychopathology

    ERIC Educational Resources Information Center

    Burstein, Marcy; Ginsburg, Golda S.; Tein, Jenn-Yun

    2010-01-01

    The current study examined relations between parent anxiety and child anxiety, depression, and externalizing symptoms. In addition, the study tested the additive and interactive effects of parent anxiety with parent depression and externalizing symptoms in relation to child symptoms. Forty-eight parents with anxiety disorders and 49 parents…

  19. [Bootstrap method-based estimation on the confidence interval for additive interaction in cohort studies].

    PubMed

    Pan, Jin-ren; Chen, Kun

    2010-07-01

    Interaction assessment is an important step in epidemiological analysis. When etiological study is carried out, the logarithmic models such as logistic model or Cox proportional hazard model are commonly used to estimate the independent effects of the risk factors. However, estimating interaction between risk factors by the regression coefficient of the product term is on multiplicative scale, and for public-health purposes, it is supposed to be on additive scale or departure from additivity. This paper illustrates with a example of cohort study by fitting Cox proportional hazard model to estimate three measures for additive interaction which presented by Rothman. Adopting the S-Plus application with a built-in Bootstrap function, it is convenient to estimate the confidence interval for additive interaction. Furthermore, this method can avoid the exaggerated estimation by using ORs in a cohort study to gain better precision. When using the complex combination models between additive interaction and multiplicative interaction, it is reasonable to choose the former one when the result is inconsistent.

  20. Age and work environment characteristics in relation to sleep: Additive, interactive and curvilinear effects.

    PubMed

    Parkes, Katharine R

    2016-05-01

    Although additive combinations of age and work environment characteristics have been found to predict sleep impairment, possible age x work environment interactions have been largely disregarded. The present study examined linear and curvilinear interactions of age with work environment measures in relation to sleep quality and duration. Survey data were collected from offshore day-shift personnel (N = 901). Main effects and interactions of the age terms with work environment measures (job demand, control, and social support, physical environment and strenuous work) were evaluated. Sleep duration was predicted by a curvilinear interaction, age(2) x job demand (p < .005), and by the age x social support interaction (p < .002); sleep quality was predicted by age x job demand (p < .002). Job control and physical environment showed significant additive effects. At a time when older employees are encouraged to remain in the workforce, the findings serve to increase understanding of how ageing and work demands jointly contribute to sleep impairment.

  1. Cross-Family Transcription Factor Interactions: An Additional Layer of Gene Regulation.

    PubMed

    Bemer, Marian; van Dijk, Aalt D J; Immink, Richard G H; Angenent, Gerco C

    2017-01-01

    Specific and dynamic gene expression strongly depends on transcription factor (TF) activity and most plant TFs function in a combinatorial fashion. They can bind to DNA and control the expression of the corresponding gene in an additive fashion or cooperate by physical interactions, forming larger protein complexes. The importance of protein-protein interactions between members of a particular plant TF family has long been recognised; however, a significant number of interfamily TF interactions has recently been reported. The biological implications and the molecular mechanisms involved in cross-family interactions have now started to be elucidated and the examples illustrate potential roles in the bridging of biological processes. Hence, cross-family TF interactions expand the molecular toolbox for plants with additional mechanisms to control and fine-tune robust gene expression patterns and to adapt to their continuously changing environment.

  2. Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal

    NASA Astrophysics Data System (ADS)

    Reilly, Anthony M.; Tkatchenko, Alexandre

    2014-08-01

    Aspirin has been used and studied for over a century but has only recently been shown to have an additional polymorphic form, known as form II. Since the two observed solid forms of aspirin are degenerate in terms of lattice energy, kinetic effects have been suggested to determine the metastability of the less abundant form II. Here, first-principles calculations provide an alternative explanation based on free-energy differences at room temperature. The explicit consideration of many-body van der Waals interactions in the free energy demonstrates that the stability of the most abundant form of aspirin is due to a subtle coupling between collective electronic fluctuations and quantized lattice vibrations. In addition, a systematic analysis of the elastic properties of the two forms of aspirin rules out mechanical instability of form II as making it metastable.

  3. Multidentate zwitterionic chitosan oligosaccharide modified gold nanoparticles: stability, biocompatibility and cell interactions

    NASA Astrophysics Data System (ADS)

    Liu, Xiangsheng; Huang, Haoyuan; Liu, Gongyan; Zhou, Wenbo; Chen, Yangjun; Jin, Qiao; Ji, Jian

    2013-04-01

    Surface engineering of nanoparticles plays an essential role in their colloidal stability, biocompatibility and interaction with biosystems. In this study, a novel multidentate zwitterionic biopolymer derivative is obtained from conjugating dithiolane lipoic acid and zwitterionic acryloyloxyethyl phosphorylcholine to the chitosan oligosaccharide backbone. Gold nanoparticles (AuNPs) modified by this polymer exhibit remarkable colloidal stabilities under extreme conditions including high salt conditions, wide pH range and serum or plasma containing media. The AuNPs also show strong resistance to competition from dithiothreitol (as high as 1.5 M). Moreover, the modified AuNPs demonstrate low cytotoxicity investigated by both MTT and LDH assays, and good hemocompatibility evaluated by hemolysis of human red blood cells. In addition, the intracellular fate of AuNPs was investigated by ICP-MS and TEM. It showed that the AuNPs are uptaken by cells in a concentration dependent manner, and they can escape from endosomes/lysosomes to cytosol and tend to accumulate around the nucleus after 24 h incubation but few of them are excreted out of the cells. Gold nanorods are also stabilized by this ligand, which demonstrates robust dispersion stability and excellent hemocompatibility. This kind of multidentate zwitterionic chitosan derivative could be widely used for stabilizing other inorganic nanoparticles, which will greatly improve their performance in a variety of bio-related applications.Surface engineering of nanoparticles plays an essential role in their colloidal stability, biocompatibility and interaction with biosystems. In this study, a novel multidentate zwitterionic biopolymer derivative is obtained from conjugating dithiolane lipoic acid and zwitterionic acryloyloxyethyl phosphorylcholine to the chitosan oligosaccharide backbone. Gold nanoparticles (AuNPs) modified by this polymer exhibit remarkable colloidal stabilities under extreme conditions including high salt

  4. Peptide interactions stabilize and restructure human papillomavirus type 16 E6 to interact with p53.

    PubMed

    Ansari, Tina; Brimer, Nicole; Vande Pol, Scott B

    2012-10-01

    Human papillomavirus type 16 (HPV-16) E6 (16E6) binds the E3 ubiquitin ligase E6AP and p53, thereby targeting degradation of p53 (M. Scheffner, B. A. Werness, J. M. Huibregtse, A. J. Levine, and P. M. Howley, Cell 63:1129-1136, 1990). Here we show that minimal 16E6-binding LXXLL peptides reshape 16E6 to confer p53 interaction and stabilize 16E6 in vivo but that degradation of p53 by 16E6 requires E6AP expression. These experiments establish a general mechanism for how papillomavirus E6 binding to LXXLL peptides reshapes E6 to then act as an adapter molecule.

  5. Peptide Interactions Stabilize and Restructure Human Papillomavirus Type 16 E6 To Interact with p53

    PubMed Central

    Ansari, Tina; Brimer, Nicole

    2012-01-01

    Human papillomavirus type 16 (HPV-16) E6 (16E6) binds the E3 ubiquitin ligase E6AP and p53, thereby targeting degradation of p53 (M. Scheffner, B. A. Werness, J. M. Huibregtse, A. J. Levine, and P. M. Howley, Cell 63:1129–1136, 1990). Here we show that minimal 16E6-binding LXXLL peptides reshape 16E6 to confer p53 interaction and stabilize 16E6 in vivo but that degradation of p53 by 16E6 requires E6AP expression. These experiments establish a general mechanism for how papillomavirus E6 binding to LXXLL peptides reshapes E6 to then act as an adapter molecule. PMID:22896608

  6. Stabilization of inorganic mixed waste to pass the TCLP and STLC tests using clay and pH-insensitive additives

    SciTech Connect

    Bowers, J.S.; Anson, S.M.; Painter, S.M.

    1995-09-01

    Stabilization is a best demonstrated available technology, or BDAT, as defined by the U.S. Environmental Protection Agency (EPA) in Title 40, part 268, of the Code of Federal Regulations (40 CFR 268). This technology traps toxic contaminants (usually both chemically and physically) in a matrix so that they do not. leach into the environment. Typical contaminants that are trapped by stabilization are metals (mostly transition metals) that exhibit the characteristic of toxicity as defined by 40 CFR part 261. The stabilization process routinely uses pozzolanic materials. Portland cement, fly ash-lime mixes, gypsum cements, and clays are some of the most common materials. They are inexpensive, easy to use, and effective for wastes containing low concentrations of toxic materials. At the Lawrence Livermore National Laboratory (LLNL), additives such as dithiocarbamates and thiocarbonates, which are pH-insensitive and provide resistance to ligand formation are used in the waste stabilization process. Attapulgite, montmorillonite, and sepiolite clays are used because they are forgiving (recipe can be adjusted before the matrix hardens) when formulating a stabilization matrix, and they have a neutral pH. By using these clays and additives, LLNL`s highly concentrated wastewater treatment sludges have passed the TCLP and STLC tests. The most frequently used stabilization process consists of a customized recipe involving waste sludge, clay and dithiocarbamate salt, mixed with a double planetary mixer into a pasty consistency. TCLP and STLC data on this waste matrix have shown that the process matrix meets land disposal requirements.

  7. Interactional processes for stabilizing conceptual coherences in physics

    NASA Astrophysics Data System (ADS)

    Frank, Brian W.; Scherr, Rachel E.

    2012-12-01

    Research in student knowledge and learning of science has typically focused on explaining conceptual change. Recent research, however, documents the great degree to which student thinking is dynamic and context-sensitive, implicitly calling for explanations not only of change but also of stability. In other words, when a pattern of student reasoning is sustained in specific moments and settings, what mechanisms contribute to sustaining it? We characterize student understanding and behavior in terms of multiple local coherences in that they may be variable yet still exhibit local stabilities. We attribute stability in local conceptual coherences to real-time activities that sustain these coherences. For example, particular conceptual understandings may be stabilized by the linguistic features of a worksheet question or by feedback from the students’ spatial arrangement and orientation. We document a group of university students who engage in multiple local conceptual coherences while thinking about motion during a collaborative learning activity. As the students shift their thinking several times, we describe mechanisms that may contribute to local stability of their reasoning and behavior.

  8. Interactions between Carotenoids from Marine Bacteria and Other Micronutrients: Impact on Stability and Antioxidant Activity.

    PubMed

    Sy, Charlotte; Dangles, Olivier; Borel, Patrick; Caris-Veyrat, Catherine

    2015-11-19

    Recently isolated spore-forming pigmented marine bacteria Bacillus indicus HU36 are sources of oxygenated carotenoids with original structures (about fifteen distinct yellow and orange pigments with acylated d-glucosyl groups). In this study, we evaluated the stability (sensitivity to iron-induced autoxidation) and antioxidant activity (inhibition of iron-induced lipid peroxidation) of combinations of bacterial HU36 carotenoids with the bacterial vitamin menaquinone MQ-7 and with phenolic antioxidants (vitamin E, chlorogenic acid, rutin). Unexpectedly, MQ-7 strongly improves the ability of HU36 carotenoids to inhibit Fe(II)-induced lipid peroxidation, although MQ-7 was not consumed in the medium. We propose that their interaction modifies the carotenoid antioxidant mechanism(s), possibly by allowing carotenoids to scavenge the initiating radicals. For comparison, β-carotene and lycopene in combination were shown to exhibit a slightly higher stability toward iron-induced autoxidation, as well as an additive antioxidant activity as compared to the carotenoids, individually. HU36 carotenoids and phenolic antioxidants displayed synergistic activities in the inhibition of linoleic acid peroxidation induced by heme iron, but not by free iron. Synergism could arise from antioxidants interacting via electron transfer through the porphyrin nucleus of heme iron. Overall, combining antioxidants acting via complementary mechanisms could be the key for optimizing the activity of this bacterial carotenoid cocktail.

  9. Interactions between Carotenoids from Marine Bacteria and Other Micronutrients: Impact on Stability and Antioxidant Activity

    PubMed Central

    Sy, Charlotte; Dangles, Olivier; Borel, Patrick; Caris-Veyrat, Catherine

    2015-01-01

    Recently isolated spore-forming pigmented marine bacteria Bacillus indicus HU36 are sources of oxygenated carotenoids with original structures (about fifteen distinct yellow and orange pigments with acylated d-glucosyl groups). In this study, we evaluated the stability (sensitivity to iron-induced autoxidation) and antioxidant activity (inhibition of iron-induced lipid peroxidation) of combinations of bacterial HU36 carotenoids with the bacterial vitamin menaquinone MQ-7 and with phenolic antioxidants (vitamin E, chlorogenic acid, rutin). Unexpectedly, MQ-7 strongly improves the ability of HU36 carotenoids to inhibit FeII-induced lipid peroxidation, although MQ-7 was not consumed in the medium. We propose that their interaction modifies the carotenoid antioxidant mechanism(s), possibly by allowing carotenoids to scavenge the initiating radicals. For comparison, β-carotene and lycopene in combination were shown to exhibit a slightly higher stability toward iron-induced autoxidation, as well as an additive antioxidant activity as compared to the carotenoids, individually. HU36 carotenoids and phenolic antioxidants displayed synergistic activities in the inhibition of linoleic acid peroxidation induced by heme iron, but not by free iron. Synergism could arise from antioxidants interacting via electron transfer through the porphyrin nucleus of heme iron. Overall, combining antioxidants acting via complementary mechanisms could be the key for optimizing the activity of this bacterial carotenoid cocktail. PMID:26610529

  10. Stability analysis of an interactive system of wave equation and heat equation with memory

    NASA Astrophysics Data System (ADS)

    Zhang, Qiong

    2014-10-01

    This paper is devoted to the stability analysis of an interaction system comprised of a wave equation and a heat equation with memory, where the hereditary heat conduction is due to Gurtin-Pipkin law or Coleman-Gurtin law. First, we show the strong asymptotic stability of solutions to this system. Then, the exponential stability of the interaction system is obtained when the hereditary heat conduction is of Gurtin-Pipkin type. Further, we show the lack of uniform decay of the interaction system when the heat conduction law is of Coleman-Gurtin type.

  11. Alternative representation for the stability diagram of quadrupole ion traps upon additional quadrupolar excitation.

    PubMed

    Vernier, Arnaud; Chirot, Fabien; Antoine, Rodolphe; Salvador, Arnaud; Charrier, Jean-Philippe; Lemoine, Jerome; Dugourd, Philippe

    2013-01-01

    We present a combined theoretical and experimental study of the stability of ions in a linear ion trap under the application of one or two auxiliary radiofrequency (RF) fields, in order to perform simultaneous resonant excitation/ejection of several different ions. The influence of the amplitude and frequency of the auxiliary field is addressed through the construction of experimental and theoretical stability diagrams. Theoretical diagrams are constructed using the method developed by Konenkov et al. [J. Am. Soc. Mass Spectrom. 13, 597 (2002)]. We propose a new representation of stability diagrams more adapted to the study of auxiliary excitations than the canonical one. Stability regions are represented as a function of the fundamental RF amplitude and of the relative intensity of the excitation. This representation facilitates the monitoring of the evolution of the mass-selectivity of first- and higher-order resonant excitations in the trap, for which an empirical law is derived. We also show that the relative phase shift between the excitation field and the main driving field has a strong influence on the shape of the diagrams.

  12. Effects of mineral additives on biochar formation: carbon retention, stability, and properties.

    PubMed

    Li, Feiyue; Cao, Xinde; Zhao, Ling; Wang, Jianfei; Ding, Zhenliang

    2014-10-07

    Biochar is being recognized as a promising tool for long-term carbon sequestration, and biochar with high carbon retention and strong stability is supposed to be explored for that purpose. In this study, three minerals, including kaolin, calcite (CaCO3), and calcium dihydrogen phosphate [Ca(H2PO4)2], were added to rice straw feedstock at the ratio of 20% (w/w) for biochar formation through pyrolysis treatment, aiming to improve carbon retention and stabilization in biochar. Kaolin and CaCO3 had little effect on the carbon retention, whereas Ca(H2PO4)2 increased the carbon retention by up to 29% compared to untreated biochar. Although the carbon loss from the kaolin-modified biochar with hydrogen peroxide oxidation was enhanced, CaCO3 and Ca(H2PO4)2 modification reduced the carbon loss by 18.6 and 58.5%, respectively. Moreover, all three minerals reduced carbon loss of biochar with potassium dichromate oxidation from 0.3 to 38.8%. The microbial mineralization as CO2 emission in all three modified biochars was reduced by 22.2-88.7% under aerobic incubation and 5-61% under anaerobic incubation. Enhanced carbon retention and stability of biochar with mineral treatment might be caused by the enhanced formation of aromatic C, which was evidenced by cross-polarization magic angle spinning (13)C nuclear magnetic resonance spectra and Fourier transform infrared spectroscopy analysis. Our results indicated that the three minerals, especially Ca(H2PO4)2, were effective in increasing carbon retention and strengthening biochar stabilization, which provided a novel idea that people could explore and produce the designated biochar with high carbon sequestration capacity and stability.

  13. Ammonium catalyzed cyclitive additions: evidence for a cation-π interaction with alkynes.

    PubMed

    Nagy, Edith; St Germain, Elijah; Cosme, Patrick; Maity, Pradip; Terentis, Andrew C; Lepore, Salvatore D

    2016-02-07

    The addition of carbamate nitrogen to a non-conjugated carbon-carbon triple bond is catalyzed by an ammonium salt leading to a cyclic product. Studies in homogeneous systems suggest that the ammonium agent facilitates nitrogen-carbon bond formation through a cation-π interaction with the alkyne unit that, for the first time, is directly observed by Raman spectroscopy.

  14. Ammonium Catalyzed Cyclitive Additions: Evidence for a Cation-π Interaction with Alkynes†

    PubMed Central

    Nagy, Edith; St.Germain, Elijah; Cosme, Patrick; Maity, Pradip; Terentis, Andrew C.; Lepore, Salvatore D.

    2016-01-01

    The addition of carbamate nitrogen to a non-conjugated carbon-carbon triple bond is catalyzed by an ammonium salt leading to a cyclic product. Studies in homogeneous systems suggest that the ammonium agent facilitates nitrogen-carbon bond formation through a cation-π interaction with the alkyne unit that, for the first time, is directly observed by Raman spectroscopy. PMID:26728333

  15. Interactions between organic additives and active powders in water-based lithium iron phosphate electrode slurries

    NASA Astrophysics Data System (ADS)

    Li, Chia-Chen; Lin, Yu-Sheng

    2012-12-01

    The interactions of organic additives with active powders are investigated and are found to have great influence on the determination of the mixing process for preparing electrode slurries with good dispersion and electrochemical properties of lithium iron phosphate (LiFePO4) electrodes. Based on the analyses of zeta potential, sedimentation, and rheology, it is shown that LiFePO4 prefers to interact with styrene-butadiene rubber (SBR) relative to other organic additives such as sodium carboxymethyl cellulose (SCMC), and thus shows preferential adsorption by SBR, whereas SBR has much lower efficiency than SCMC in dispersing LiFePO4. Therefore, for SCMC to interact with and disperse LiFePO4 before the interaction of LiFePO4 with SBR, it is suggested to mix SCMC with LiFePO4 prior to the addition of SBR during the slurry preparation process. For the electrode prepared via the suggested process, i.e., the sequenced adding process in which SCMC is mixed with active powders prior to the addition of SBR, a much better electrochemical performance is obtained than that of the one prepared via the process referred as the simultaneous adding process, in which mixing of SCMC and SBR with active powders in simultaneous.

  16. Quasi-chemical approach for adsorption of mixtures with non-additive lateral interactions

    NASA Astrophysics Data System (ADS)

    Pinto, O. A.; Pasinetti, P. M.; Ramirez-Pastor, A. J.

    2017-01-01

    The statistical thermodynamics of binary mixtures with non-additive lateral interactions was developed on a generalization in the spirit of the lattice-gas model and the classical quasi-chemical approximation (QCA). The traditional assumption of a strictly pairwise additive nearest-neighbors interaction is replaced by a more general one, namely that the bond linking a certain atom with any of its neighbors depends considerably on how many of them are actually present (or absent) on the sites in the first coordination shell of the atom. The total and partial adsorption isotherms are given for both attractive and repulsive lateral interactions between the adsorbed species. Interesting behaviors are observed and discussed in terms of the low-temperature phases formed in the system. Comparisons with Monte Carlo simulations are performed in order to test the validity of the theoretical model.

  17. Role of strongly interacting additives in tuning the structure and properties of polymer systems

    NASA Astrophysics Data System (ADS)

    Daga, Vikram Kumar

    Block copolymer (BCP) nanocomposites are an important class of hybrid materials in which the BCP guides the spatial location and the periodic assembly of the additives. High loadings of well-dispersed nanofillers are generally important for many applications including mechanical reinforcing of polymers. In particular the composites shown in this work might find use as etch masks in nanolithography, or for enabling various phase selective reactions for new materials development. This work explores the use of hydrogen bonding interactions between various additives (such as homopolymers and non-polymeric additives) and small, disordered BCPs to cause the formation of well-ordered morphologies with small domains. A detailed study of the organization of homopolymer chains and the evolution of structure during the process of ordering is performed. The results demonstrate that by tuning the selective interaction of the additive with the incorporating phase of the BCP, composites with significantly high loadings of additives can be formed while maintaining order in the BCP morphology. The possibility of high and selective loading of additives in one of the phases of the ordered BCP composite opens new avenues due to high degree of functionalization and the proximity of the additives within the incorporating phase. This aspect is utilized in one case for the formation of a network structure between adjoining additive cores to derive mesoporous inorganic materials with their structures templated by the BCP. The concept of additive-driven assembly is extended to formulate BCPadditive blends with an ability to undergo photo-induced ordering. Underlying this strategy is the ability to transition a weakly interacting additive to its strongly interacting form. This strategy provides an on-demand, non-intrusive route for formation of well-ordered nanostructures in arbitrarily defined regions of an otherwise disordered material. The second area explored in this dissertation deals

  18. Shared ancestry influences community stability by altering competitive interactions: evidence from a laboratory microcosm experiment using freshwater green algae.

    PubMed

    Venail, Patrick A; Alexandrou, Markos A; Oakley, Todd H; Cardinale, Bradley J

    2013-10-07

    The impact of biodiversity on the stability of ecological communities has been debated among biologists for more than a century. Recently summarized empirical evidence suggests that biodiversity tends to enhance the temporal stability of community-level properties such as biomass; however, the underlying mechanisms driving this relationship remain poorly understood. Here, we report the results of a microcosm study in which we used simplified systems of freshwater microalgae to explore how the phylogenetic relatedness of species influences the temporal stability of community biomass by altering the nature of their competitive interactions. We show that combinations of two species that are more evolutionarily divergent tend to have lower temporal stability of biomass. In part, this is due to negative 'selection effects' in which bicultures composed of distantly related species are more likely to contain strong competitors that achieve low biomass. In addition, bicultures of distantly related species had on average weaker competitive interactions, which reduced compensatory dynamics and decreased the stability of community biomass. Our results demonstrate that evolutionary history plays a key role in controlling the mechanisms, which give rise to diversity-stability relationships. As such, patterns of shared ancestry may help us predict the ecosystem-level consequences of biodiversity loss.

  19. Stabilization of Stormwater Biofilters: Impacts of Wetting and Drying Phases and the Addition of Organic Matter to Filter Media.

    PubMed

    Subramaniam, D N; Egodawatta, P; Mather, P; Rajapakse, J P

    2015-09-01

    Ripening period refers to a phase of stabilization in sand filters in water treatment systems that follow a new installation or cleaning of the filter. Intermittent wetting and drying, a unique property of stormwater biofilters, would similarly be subjected to a phase of stabilization. Suspended solids are an important parameter that is often used to monitor the stabilization of sand filters in water treatment systems. Stormwater biofilters, however, contain organic material that is added to the filter layer to enhance nitrate removal, the dynamics of which is seldom analyzed in stabilization of stormwater biofilters. Therefore, in this study of stormwater biofiltration in addition to suspended solids (turbidity), organic matter (TOC, DOC, TN, and TKN) was also monitored as a parameter for stabilization of the stormwater biofilter. One Perspex bioretention column (94 mm internal diameter) was fabricated with filter layer that contained 8 % organic material and fed with tapwater with different antecedent dry days (0-40 day) at 100 mL/min. Samples were collected from the outflow at different time intervals between 2 and 150 min and were tested for total organic carbon, dissolved organic carbon, total nitrogen, total Kjeldhal nitrogen, and turbidity. The column was observed to experience two phases of stabilization, one at the beginning of each event that lasted for 30 min, while the other phase was observed across subsequent events that are related to the age of filter.

  20. Stabilization of Stormwater Biofilters: Impacts of Wetting and Drying Phases and the Addition of Organic Matter to Filter Media

    NASA Astrophysics Data System (ADS)

    Subramaniam, D. N.; Egodawatta, P.; Mather, P.; Rajapakse, J. P.

    2015-09-01

    Ripening period refers to a phase of stabilization in sand filters in water treatment systems that follow a new installation or cleaning of the filter. Intermittent wetting and drying, a unique property of stormwater biofilters, would similarly be subjected to a phase of stabilization. Suspended solids are an important parameter that is often used to monitor the stabilization of sand filters in water treatment systems. Stormwater biofilters, however, contain organic material that is added to the filter layer to enhance nitrate removal, the dynamics of which is seldom analyzed in stabilization of stormwater biofilters. Therefore, in this study of stormwater biofiltration in addition to suspended solids (turbidity), organic matter (TOC, DOC, TN, and TKN) was also monitored as a parameter for stabilization of the stormwater biofilter. One Perspex bioretention column (94 mm internal diameter) was fabricated with filter layer that contained 8 % organic material and fed with tapwater with different antecedent dry days (0-40 day) at 100 mL/min. Samples were collected from the outflow at different time intervals between 2 and 150 min and were tested for total organic carbon, dissolved organic carbon, total nitrogen, total Kjeldhal nitrogen, and turbidity. The column was observed to experience two phases of stabilization, one at the beginning of each event that lasted for 30 min, while the other phase was observed across subsequent events that are related to the age of filter.

  1. Thermal stability of kudzu root (Pueraria Radix) isoflavones as additives to beef patties.

    PubMed

    Kumari, S; Raines, J M; Martin, J M; Rodriguez, J M

    2015-03-01

    Kudzu root, Pueraria radix, extracts are a rich source of isoflavones. This study investigates the thermal stability of Pueraria radix extracts as a natural nutraceutical supplement in beef patties. The extract contained puerarin, diadzin, genistin, ononin, daidzein, glycitein, calycosin, genistein, formononetin and biochanin A; however, puerarin, daidzein and glycitein were the main components. The isoflavones concentrations in the spiked beef patties with kudzu root extracts were unaffected by cooking.

  2. The effect of an additional phosphite stabilizer on the properties of radiation cross-linked vitamin E blends of UHMWPE.

    PubMed

    Oral, Ebru; Neils, Andrew; Yabannavar, Pooja; Muratoglu, Orhun K

    2014-06-01

    Antioxidant stabilization of radiation cross-linked ultrahigh molecular weight polyethylene (UHMWPE) has been introduced to improve the oxidative stability of total joint implant bearing surfaces. Blending of an antioxidant with UHMWPE resin powder followed by consolidation and radiation cross-linking has been cleared by the FDA for use in both total hips and total knees for designs incorporating two antioxidants, namely vitamin E and Covernox™ (a medical grade version of Irganox™ 1010). The antioxidants in the polymer are expected to protect the polymer during consolidation, during radiation cross-linking, on the shelf before implantation, and in vivo after implantation. To maximize the protection of the polymer afforded by the antioxidant in vivo, a novel approach may be the use of multiple antioxidants, especially to protect the primary antioxidant for a longer period of time. We hypothesized that the addition of a phosphite stabilizer (Irgafos 168™) commonly used in conjunction with hindered phenolic antioxidants in polymer processing could improve the oxidative stability of radiation cross-linked blends of vitamin E. To test our hypothesis, we prepared UHMWPE blends with 0.05 wt% Irgafos and 0.05 wt% vitamin E and compared its cross-link density, wear resistance, tensile properties, and impact strength to control blends containing only vitamin E. Our hypothesis was not supported; the cross-link density of UHMWPE was significantly decreased by the additive without additional benefit to oxidative stability. To our knowledge, this was the first attempt at using multiple stabilizers in medical grade UHMWPE.

  3. Defect Interactions and Ionic Transport in Scandia Stabilized Zirconia

    SciTech Connect

    Devanathan, Ramaswami; Thevuthasan, Suntharampillai; Gale, Julian D.

    2009-06-24

    Atomistic simulation has been used to study ionic transport in scandia-stabilized zirconia, as well as scandia and yttria-co-doped zirconia, as a function of temperature and composition. The oxygen diffusion coefficient shows a peak at a composition of 6 mole % Sc2O3. Oxygen vacancies prefer to be second nearest neighbours to yttrium ions, but have little preference between first and second neighbour positions with respect to scandium ions. The Sc-O bond length is about 2.17 Å compared to 2.28 Å for the Y-O bond. Oxygen migration between cation tetrahedra is impeded less effectively by Sc-Sc edges than by Y-Y edges. A neutral cluster of two scandium ions with an oxygen vacancy in the common first neighbour position has a binding energy of -0.56 eV. The formation of such clusters may contribute to conductivity degradation of stabilized zirconia at elevated temperature.

  4. A carbonate controlled-addition method for amorphous calcium carbonate spheres stabilized by poly(acrylic acid)s.

    PubMed

    Huang, Shu-Chen; Naka, Kensuke; Chujo, Yoshiki

    2007-11-20

    Stable amorphous calcium carbonate (ACC) composite particle with a size-controlled monodispersed sphere was obtained by a new simple carbonate controlled-addition method by using poly(acrylic acid) (PAA) (Mw = 5000), in which an aqueous ammonium carbonate solution was added into an aqueous solution of PAA and CaCl2 with a different time period. The obtained ACC composite products consist of about 50 wt % of ACC, 30 wt % of PAA, and H2O. Average particle sizes of the ACC spheres increased from (1.8 +/- 0.4) x 102 to (5.5 +/- 1.2) x 102 nm with an increase of the complexation time of the PAA-CaCl2 solution from 3 min to 24 h, respectively. The ACC formed from the complexation time for 3 min was stable for 10 days with gentle stirring as well as 3 months under a quiescent condition in the aqueous solution. Moreover, the ACC was also stable at 400 degrees C. Stability of the amorphous phase decreased with an increase of the complexation time of the PAA-CaCl2 solution. No ACC was obtained when the lower molar mass PAAs (Mw = 1200 and 2100) were used. In the higher molar mass case (Mw = 25 000), a mixture of the amorphous phase and vaterite and calcite crystalline product was produced. The present results demonstrate that the interaction and the reaction kinetics of the PAA-Ca2+-H2O complex play an important role in the mineralization of CaCO3.

  5. Interaction of environmental moisture with powdered green tea formulations: effect on catechin chemical stability.

    PubMed

    Ortiz, J; Ferruzzi, M G; Taylor, L S; Mauer, L J

    2008-06-11

    Green tea and tea catechins must be stable in finished products to deliver health benefits; however, they may be adversely affected by tea processing/storage conditions and the presence of other components. The objective of this study was to determine the effects of storage relative humidity (RH) and addition of other ingredients on catechin stability in simulated dry beverage mixtures. Samples of green tea powder alone and mixed with sucrose, citric acid, and/or ascorbic acid were prepared and stored in desiccators at 22 degrees C and 0-85% RH for up to 3 months. Epicatechin, epigallocatechin, epicatechin gallate, and epigallocatechin gallate were determined by high-performance liquid chromatography (HPLC). Formulation and the interaction of formulation and RH significantly promoted catechin degradation ( P < 0.0001). The chemical degradation of total and individual catechins in green tea powder formulations was significantly increased ( P < 0.0001) by exposure to increasing RH, and the degradation was exacerbated at > or = 58% RH by the presence of powdered citric acid and at > or = 75% RH by the presence of ascorbic acid. Catechins degraded the most in formulations containing both acids. Although catechin chemical stability was maintained at < or = 43% RH in all samples stored at 22 degrees C for 3 months, caking was observed in samples at these relative humidities. These results are the first to demonstrate that addition of other dry components to tea powders may affect catechin stability in finished dry blends and highlight the importance of considering the complex interplay between a multicomponent system and its environment for developing stable products.

  6. Widespread non-additive and interaction effects within HLA loci modulate the risk of autoimmune diseases

    PubMed Central

    Lenz, Tobias L.; Deutsch, Aaron J.; Han, Buhm; Hu, Xinli; Okada, Yukinori; Eyre, Stephen; Knapp, Michael; Zhernakova, Alexandra; Huizinga, Tom W.J.; Abecasis, Goncalo; Becker, Jessica; Boeckxstaens, Guy E.; Chen, Wei-Min; Franke, Andre; Gladman, Dafna D.; Gockel, Ines; Gutierrez-Achury, Javier; Martin, Javier; Nair, Rajan P.; Nöthen, Markus M.; Onengut-Gumuscu, Suna; Rahman, Proton; Rantapää-Dahlqvist, Solbritt; Stuart, Philip E.; Tsoi, Lam C.; Van Heel, David A.; Worthington, Jane; Wouters, Mira M.; Klareskog, Lars; Elder, James T.; Gregersen, Peter K.; Schumacher, Johannes; Rich, Stephen S.; Wijmenga, Cisca; Sunyaev, Shamil R.; de Bakker, Paul I.W.; Raychaudhuri, Soumya

    2015-01-01

    Human leukocyte antigen (HLA) genes confer strong risk for autoimmune diseases on a log-additive scale. Here we speculated that differences in autoantigen binding repertoires between a heterozygote’s two expressed HLA variants may result in additional non-additive risk effects. We tested non-additive disease contributions of classical HLA alleles in patients and matched controls for five common autoimmune diseases: rheumatoid arthritis (RA, Ncases=5,337), type 1 diabetes (T1D, Ncases=5,567), psoriasis vulgaris (Ncases=3,089), idiopathic achalasia (Ncases=727), and celiac disease (Ncases=11,115). In four out of five diseases, we observed highly significant non-additive dominance effects (RA: P=2.5×1012; T1D: P=2.4×10−10; psoriasis: P=5.9×10−6; celiac disease: P=1.2×10−87). In three of these diseases, the dominance effects were explained by interactions between specific classical HLA alleles (RA: P=1.8×10−3; T1D: P=8.6×1027; celiac disease: P=6.0×10−100). These interactions generally increased disease risk and explained moderate but significant fractions of phenotypic variance (RA: 1.4%, T1D: 4.0%, and celiac disease: 4.1%, beyond a simple additive model). PMID:26258845

  7. IQGAP1 interacts with Aurora-A and enhances its stability and its role in cancer

    SciTech Connect

    Yin, Ning; Shi, Ji; Wang, Dapeng; Tong, Tong; Wang, Mingrong; Fan, Feiyue; Zhan, Qimin

    2012-04-27

    Highlights: Black-Right-Pointing-Pointer IQGAP1 interacts with Aurora-A through its RGCt domain. Black-Right-Pointing-Pointer Overexpression of IQGAP1 prevents ubiquitination of Aurora-A. Black-Right-Pointing-Pointer Overexpression of IQGAP1 enhances the protein stability of Aurora-A. Black-Right-Pointing-Pointer Overexpression of IQGAP1 promotes the kinase activity of Aurora-A. -- Abstract: IQGAP1, a ubiquitously expressed scaffold protein, has been identified in a wide range of organisms. It participates in multiple aspects of cellular events by binding to and regulating numerous interacting proteins. In our present study, we identified a new IQGAP1 binding protein named Aurora-A which is an oncogenic protein and overexpressed in various types of human tumors. In vitro analysis with GST-Aurora-A fusion proteins showed a physical interaction between Aurora-A and IQGAP1. Moreover, the binding also occurred in HeLa cells as endogenous Aurora-A co-immunoprecipitated with IQGAP1 from the cell lysates. Overexpression of IQGAP1 resulted in an elevation of both expression and activity of Aurora-A kinase. Endogenous IQGAP1 knockdown by siRNA promoted Aurora-A degradation whereas IQGAP1 overexpression enhanced the stability of Aurora-A. Additionally, we documented that the IQGAP1-induced cell proliferation was suppressed by knocking down Aurora-A expression. Taken together, our results showed an unidentified relationship between Aurora-A and IQGAP1, and provided a new insight into the molecular mechanism by which IQGAP1 played a regulatory role in cancer.

  8. Volume stabilization of high MgO cement: Effect of curing conditions and fly ash addition

    SciTech Connect

    Ali, M.M.; Mullick, A.K.

    1998-11-01

    Hydration of high MgO cement paste under autoclave condition causes the rapid formation and crystallization of magnesium hydroxide and leads to the creation of larger pore sizes. This results in the loss of mechanical strength and higher expansion values. Under ambient water curing, precipitation and distribution of gelatinous calcium silicate hydrates into the finer network causes a homogeneous morphology and the development of smaller pores. The resultant higher mechanical strength associated with partial hydration of MgO yields reduced expansion. High MgO cement paste containing fly ash also showed considerable pore refinement and improved hydrate morphology favoring volume stability under both autoclave and ambient water curing.

  9. Synergistic interactions between commonly used food additives in a developmental neurotoxicity test.

    PubMed

    Lau, Karen; McLean, W Graham; Williams, Dominic P; Howard, C Vyvyan

    2006-03-01

    Exposure to non-nutritional food additives during the critical development window has been implicated in the induction and severity of behavioral disorders such as attention deficit hyperactivity disorder (ADHD). Although the use of single food additives at their regulated concentrations is believed to be relatively safe in terms of neuronal development, their combined effects remain unclear. We therefore examined the neurotoxic effects of four common food additives in combinations of two (Brilliant Blue and L-glutamic acid, Quinoline Yellow and aspartame) to assess potential interactions. Mouse NB2a neuroblastoma cells were induced to differentiate and grow neurites in the presence of additives. After 24 h, cells were fixed and stained and neurite length measured by light microscopy with computerized image analysis. Neurotoxicity was measured as an inhibition of neurite outgrowth. Two independent models were used to analyze combination effects: effect additivity and dose additivity. Significant synergy was observed between combinations of Brilliant Blue with L-glutamic acid, and Quinoline Yellow with aspartame, in both models. Involvement of N-methyl-D-aspartate (NMDA) receptors in food additive-induced neurite inhibition was assessed with a NMDA antagonist, CNS-1102. L-glutamic acid- and aspartame-induced neurotoxicity was reduced in the presence of CNS-1102; however, the antagonist did not prevent food color-induced neurotoxicity. Theoretical exposure to additives was calculated based on analysis of content in foodstuff, and estimated percentage absorption from the gut. Inhibition of neurite outgrowth was found at concentrations of additives theoretically achievable in plasma by ingestion of a typical snack and drink. In addition, Trypan Blue dye exclusion was used to evaluate the cellular toxicity of food additives on cell viability of NB2a cells; both combinations had a straightforward additive effect on cytotoxicity. These data have implications for the

  10. Stabilization of inorganic mixed waste to pass the TCLP and STLC tests using clay and pH-insensitive additives

    SciTech Connect

    Bowers, J.S.; Anson, J.R.; Painter, S.M.

    1995-12-31

    Stabilization is a best demonstrated available technology, or BDAT. This technology traps toxic contaminants in a matrix so that they do not leach into the environment. The stabilization process routinely uses pozzolanic materials. Portland cement, fly ash-lime mixes, gypsum cements, and clays are some of the most common materials. In many instances, materials that can pass the Toxicity Characteristic Leaching Procedure (TCLP the federal leach test) or the Soluble Threshold Leachate Concentration (STLC the California leach test) must have high concentrations of lime or other caustic material because of the low pH of the leaching media. Both leaching media, California`s and EPA`s, have a pH of 5.0. California uses citric acid and sodium citrate while EPA uses acetic acid and sodium acetate. The concentration in the leachate is approximately ten times higher for the STLC procedure than the TCLP. These media can form ligands that provide excellent metal leaching. Because of the aggressive nature of the leaching medium, stabilized wastes in many cases will not pass the leaching tests. At the Lawrence Livermore National Laboratory (LLNL), additives such as dithiocarbamates and thiocarbonates, which are pH-insensitive and provide resistance to ligand formation, are used in the waste stabilization process. Attapulgite, montmorillonite, and sepiolite clays are used because they are forgiving (recipe can be adjusted before the matrix hardens) when formulating a stabilization matrix, and they have a neutral pH. By using these clays and additives, LLNL`s highly concentrated wastewater treatment sludges have passed the TCLP and STLC tests. The most frequently used stabilization process consists of a customized recipe involving waste sludge, clay and dithiocarbamate salt, mixed with a double planetary mixer into a pasty consistency. TCLP and STLC data on this waste matrix have shown that the process matrix meets land disposal requirements.

  11. Effect of storage on refined olive oil composition: stabilization by addition of chlorophyll pigments and squalene.

    PubMed

    Rigane, Ghayth; Bouaziz, Mohamed; Sayadi, Sami; Salem, Ridha Ben

    2013-01-01

    Refined olive oil has been analyzed in order to evaluate the influence of storage time on their quality after enrichment with chlorophyll pigments and squalene. At the end of the storage, chlorophyll pigments decomposed for more than 90%, while, carotene pigment loss was lower showing up to 75% in all oil samples stored at 20°C and 50°C. The reduction of total phenolic compounds exhibited similar degradation profiles, reducing by 81% for enriched refined olive oil stored at 20°C and 50°C after six months. For all studied samples, squalene content decreased significantly (p< 0.05) only after four months of storage. Oils with added pure squalene had the lower peroxide values (52 meq O2 · kg(-1)) at the end of storage at 20°C. After six months of storage the oxidative stability increased to 1 h 28 min and 2 h 06 min for refined olive oil stored at 20°C enriched with chlorophyll + squalene and only by squalene, respectively. Therefore, squalene supplemented with 800 mg · kg(-1) exhibited favorable antioxidant effects and is preferable for effectively avoiding oxidation. This study could provide useful information for industry to produce high-stability vegetable oil.

  12. Leach testing of in situ stabilization grouts containing additives to sequester contaminants

    SciTech Connect

    Serne, R.J.; Ames, L.L.; Martin, P.F.C.; LeGore, V.L.; Lindenmeier, C.W.; Phillips, S.J.

    1993-04-01

    This document discusses laboratory testing performed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC) of special grout formulations that incorporate specific sequestering agents to help improve the ability of the cement to resist contaminant leaching. To enhance the sequestering of contaminants we chose five additives to introduce (singly) to the control cement. The additives were Florida pebble phosphate, clinoptilolite (a natural zeolite), ferrous sulfide (a reductant), a mixed bed organic ion exchange resin and a proprietary anion-adsorbing mixed metal oxide. These additives were added one per test to the standard formulation and used to encapsulate a diluted high-salt alkaline liquid waste that is produced after various processes to remove uranium and plutonium from spent nuclear fuel. This report documents the testing of these additives.

  13. Lanthanum Nitrate As Electrolyte Additive To Stabilize the Surface Morphology of Lithium Anode for Lithium-Sulfur Battery.

    PubMed

    Liu, Sheng; Li, Guo-Ran; Gao, Xue-Ping

    2016-03-01

    Lithium-sulfur (Li-S) battery is regarded as one of the most promising candidates beyond conventional lithium ion batteries. However, the instability of the metallic lithium anode during lithium electrochemical dissolution/deposition is still a major barrier for the practical application of Li-S battery. In this work, lanthanum nitrate, as electrolyte additive, is introduced into Li-S battery to stabilize the surface of lithium anode. By introducing lanthanum nitrate into electrolyte, a composite passivation film of lanthanum/lithium sulfides can be formed on metallic lithium anode, which is beneficial to decrease the reducibility of metallic lithium and slow down the electrochemical dissolution/deposition reaction on lithium anode for stabilizing the surface morphology of metallic Li anode in lithium-sulfur battery. Meanwhile, the cycle stability of the fabricated Li-S cell is improved by introducing lanthanum nitrate into electrolyte. Apparently, lanthanum nitrate is an effective additive for the protection of lithium anode and the cycling stability of Li-S battery.

  14. Biokinetics of food additive silica nanoparticles and their interactions with food components.

    PubMed

    Lee, Jeong-A; Kim, Mi-Kyung; Song, Jae Ho; Jo, Mi-Rae; Yu, Jin; Kim, Kyoung-Min; Kim, Young-Rok; Oh, Jae-Min; Choi, Soo-Jin

    2017-02-01

    Nanomaterials have been widely utilized in the food industry in production, packaging, sensors, nutrient delivery systems, and food additives. However, research on the interactions between food-grade nanoparticles and biomolecules as well as their potential toxicity is limited. In the present study, the in vivo solubility, oral absorption, tissue distribution, and excretion kinetics of one of the most extensively used food additives, silica (SiO2) were evaluated with respect to particle size (nano vs bulk) following single-dose oral administration to rats. Intestinal transport mechanism was investigated using a 3D culture system, in vitro model of human intestinal follicle-associated epithelium (FAE). The effect of the presence of food components, such as sugar and protein, on the oral absorption of nanoparticles was also evaluated with focus on their interactions. The results obtained demonstrated that the oral absorption of nanoparticles (3.94±0.38%) was greater than that of bulk materials (2.95±0.37%), possibly due to intestinal transport by microfold (M) cells. On the other hand, particle size was found to have no significant effect on in vivo dissolution property, biodistribution, or excretion kinetics. Oral absorption profile of silica nanoparticles was highly dependent on the presence of sugar or protein, showing rapid absorption rate in glucose, presumably due to their surface interaction on nanoparticles. These findings will be useful for predicting the potential toxicity of food-grade nanoparticles and for understanding biological interactions.

  15. Stability of ZnO quantum dots tuned by controlled addition of ethylene glycol during their growth

    NASA Astrophysics Data System (ADS)

    Zimmermann, Lizandra M.; Baldissera, Paulo V.; Bechtold, Ivan H.

    2016-07-01

    ZnO quantum dots were prepared via a sol-gel route from zinc acetate and sodium hydroxide. The influence of ethylene glycol addition during the first stages of reaction (1-5 min) as a stabilizer, as well as the influence of its concentration in 2-propanol were investigated. The optimization led to particles with enough stability and homogeneity around 3.7 nm of diameter to allow for quantum confinement effect. Spectroscopic UV-vis absorption measurements allowed to explore the underlying mechanism of nucleation and growth and to have the control of it. The emission of the ZnO nanoparticles was explored under experimental perturbations with addition of small amounts of water to investigate the interplay between surface defects and the excitonic effect. The results suggest that the water interferes directly on the defects first and later on the excitonic recombination. Their morphology was determined with transmission electron microscopy.

  16. Enhanced erythrocyte suspension layer stability achieved by surface tension lowering additives

    NASA Technical Reports Server (NTRS)

    Omenyi, S. N.; Snyder, R. S.; Absolom, D. R.; Van Oss, C. J.; Neumann, A. W.

    1982-01-01

    In connection with a fractionation procedure involving the separation of particles, a dilute suspension of these particles in a liquid is carefully layered on a dense liquid. Under ideal conditions, the suspension forms a zone of finite thickness with a 'sharp' interface between the suspension layer and the supporting liquid. Under an applied field, e.g., gravitational or electrical, the particles in the suspension layer migrate to form different layers according to their size and/or density or according to their electrophoretic mobilities. However, in many cases the ideal conditions necessary for the fractionation process are not obtained. Many studies have been conducted to explore the reasons for suspension layer 'instability'. The present investigation represents an extension of a study conducted by Omenyi et al. (1981). An electrostatic repulsion-van der Waals mechanism was used to study the stability of fixed erythrocyte suspensions layered on a D2O cushion.

  17. Flame retardancy and thermal stability of polyurethane foam composites containing carbon additives

    NASA Astrophysics Data System (ADS)

    Lee, Pyoung-Chan; Kim, Bo-Ram; Jeoung, Sun Kyoung; Lee, Geesoo; Han, San Wook; Kim, Hyunchul; Lee, Ki-Dong; Han, Joo-Kwon

    2016-03-01

    Polyurethane (PU) is an important class of polymers that have wide application in a number of different industrial sectors. The goal of this work was the synthesis of flame-retarded PU foam with expandable graphite (EG) or commercial graphene. The flame retardancy and thermal stability of the foams has been studied through cone calorimeter analysis, the limited oxygen index and thermal conductivity. The presence of expandable graphite brings an improvement in fire behavior. In particular, the limited oxygen index increases in a linear way and the highest limited oxygen index values are obtained for EG-PU foams. The results from the cone calorimeter are in agreement with those of oxygen index; EG filled foams show a considerable decrease of maximum-heat release rate (M-HRR) with respect to unfilled foams. The results of thermal conductivity show that an increase in expandable graphite amount in PU foams lead to an increased conductivity.

  18. Copper Antimonide Nanowire Array Lithium Ion Anodes Stabilized by Electrolyte Additives.

    PubMed

    Jackson, Everett D; Prieto, Amy L

    2016-11-09

    Nanowires of electrochemically active electrode materials for lithium ion batteries represent a unique system that allows for intensive investigations of surface phenomena. In particular, highly ordered nanowire arrays produced by electrodeposition into anodic aluminum oxide templates can lead to new insights into a material's electrochemical performance by providing a high-surface-area electrode with negligible volume expansion induced pulverization. Here we show that for the Li-CuxSb ternary system, stabilizing the surface chemistry is the most critical factor for promoting long electrode life. The resulting solid electrolyte interphase is analyzed using a mix of electron microscopy, X-ray photoelectron spectroscopy, and lithium ion battery half-cell testing to provide a better understanding of the importance of electrolyte composition on this multicomponent alloy anode material.

  19. Stability and magnetic interactions between magnetite nanoparticles dispersed in zeolite as studied using Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Herojit singh, L.; Govindaraj, R.; Mythili, R.; Amarendra, G.

    2016-11-01

    Stability of superparamagnetic magnetite nanoparticles as formed in Zeolite has been addressed in a detailed manner based on isochronal annealing studies using Mössbauer spectroscopy. A strong binding of these nanoparticles in Zeolite has been deduced as the coarsening of the nanoparticles is observed following annealing treatments beyond 825 K. In addition, the magnetic interactions between these superparamagnetic magnetite nanoparticles in the as dispersed condition in Zeolite have been elucidated by means of low temperature Mössbauer studies. A strong dependence of the dipole-dipole interactions between superparamagnetic particles of cubic iron oxides is deduced based on this study.

  20. Measuring the interaction of urea and protein-stabilizing osmolytes with the nonpolar surface of hydroxypropylcellulose.

    PubMed

    Stanley, Christopher; Rau, Donald C

    2008-06-24

    The interaction of urea and several naturally occurring protein-stabilizing osmolytes, glycerol, sorbitol, glycine betaine, trimethylamine oxide (TMAO), and proline, with condensed arrays of a hydrophobically modified polysaccharide, hydroxypropylcellulose (HPC), has been inferred from the effect of these solutes on the forces acting between HPC polymers. Urea interacts only very weakly. The protein-stabilizing osmolytes are strongly excluded. The observed energies indicate that the exclusion of the protein-stabilizing osmolytes from protein hydrophobic side chains would add significantly to protein stability. The temperature dependence of exclusion indicates a significant contribution of enthalpy to the interaction energy in contrast to expectations from "molecular crowding" theories based on steric repulsion. The dependence of exclusion on the distance between HPC polymers rather indicates that perturbations of water structuring or hydration forces underlie exclusion.

  1. Cell-cell interactions stabilize emerging collective migration modes

    NASA Astrophysics Data System (ADS)

    Parker, Joshua; Guven, Can; Wang, Chenlu; Ott, Ed; Losert, Wolfgang

    2014-03-01

    We propose a coarse-grained mechanistic model for simulating the dynamics of the biological model organism Dictyostelium discoideum, incorporating gradient sensing, random motility via actin protrusions, persistent random motion and signal relay. We demonstrate that our simple cell model does result in the macroscopic group migration patterns seen in no-flow gradient chambers, namely a transition from individual motion to multi-cell ``streaming'' to aggregation as the external signal is decreased. We also find that cell-cell adhesion further stabilizes the contact network independent of chemical signaling, suggesting no indirect feedback between mechanical forces and gradient sensing. We discuss further modifications to the model and as well as further applications to quantifying dynamics using spatio-temporal contact networks. Co-first author

  2. Interstrand dipole-dipole interactions can stabilize the collagen triple helix.

    PubMed

    Shoulders, Matthew D; Raines, Ronald T

    2011-07-01

    The amino acid sequence of collagen is composed of GlyXaaYaa repeats. A prevailing paradigm maintains that stable collagen triple helices form when (2S)-proline (Pro) or Pro derivatives that prefer the C(γ)-endo ring pucker are in the Xaa position and Pro derivatives that prefer the C(γ)-exo ring pucker are in the Yaa position. Anomalously, an amino acid sequence in an invertebrate collagen has (2S,4R)-4-hydroxyproline (Hyp), a C(γ)-exo-puckered Pro derivative, in the Xaa position. In certain contexts, triple helices with Hyp in the Xaa position are now known to be hyperstable. Most intriguingly, the sequence (GlyHypHyp)(n) forms a more stable triple helix than does the sequence (GlyProHyp)(n). Competing theories exist for the physicochemical basis of the hyperstability of (GlyHypHyp)(n) triple helices. By synthesizing and analyzing triple helices with different C(γ)-exo-puckered proline derivatives in the Xaa and Yaa positions, we conclude that interstrand dipole-dipole interactions are the primary determinant of their additional stability. These findings provide a new framework for understanding collagen stability.

  3. Interaction of bilirubin with Ag and Au ions: green synthesis of bilirubin-stabilized nanoparticles

    NASA Astrophysics Data System (ADS)

    Shukla, Shashi P.; Roy, Mainak; Mukherjee, Poulomi; Tyagi, A. K.; Mukherjee, Tulsi; Adhikari, Soumyakanti

    2012-07-01

    We report a simple green chemistry to synthesize and stabilize monodispersed silver and gold nanoparticles sols by reducing aqueous solution of the respective metal salts in the presence of bilirubin (BR). No additional capping agent was used in the process of stabilization of the nanoparticles. As a completely new finding, we have observed that BR known to be toxic at higher concentration in one hand and conversely an antioxidant at physiological concentration reduces these metal ions to form the respective metal nanoparticles. Moreover, BR and its oxidized products also serve as capping agents to the nanoparticles. The particles were characterized by transmission electron microscopy. BR and its oxidized products capped nanoparticles are stable for months. The UV-Vis absorption spectra of the silver sol show the plasmon peak of symmetric spherical particles which was further reflected in the TEM images. The sizes of the silver particles were about 5 nm. These silver particles showed reasonably high antibacterial activity in Gram negative wild type E. coli. In the case of interaction of BR with gold ions, we could obtain cubic gold nanoparticles of average sizes 20-25 nm. Possible modes of anchorage of BR and/its oxidized products to silver nanoparticles were demonstrated by surface-enhanced resonance Raman spectroscopy (SERS) that in turn demonstrated the feasibility of using these nanoparticles as SERS substrates.

  4. Solid breeder/structure mechanical interaction and thermal stability

    SciTech Connect

    Liu, Y.Y.; Billone, M.C.; Taghavi, K.

    1985-04-01

    Solid breeder/structure mechanical interaction (BSMI) during fusion reactor blanket operation is a potential failure mode which could limit the lifetime of the blanket. The severity of BSMI will generally depend on the materials, specific blanket designs, and blanket operating conditions. Thermomechanical analyses performed for a helium-cooled blanket employing Li/sub 2/O/HT-9 plates indicate that BSMI could be a serious concern for this blanket.

  5. Effects of salt or cosolvent addition on solubility of a hydrophobic solute in water: Relevance to those on thermal stability of a protein

    NASA Astrophysics Data System (ADS)

    Murakami, Shota; Hayashi, Tomohiko; Kinoshita, Masahiro

    2017-02-01

    The solubility of a nonpolar solute in water is changed upon addition of a salt or cosolvent. Hereafter, "solvent" is formed by water molecules for pure water, by water molecules, cations, and anions for water-salt solution, and by water and cosolvent molecules for water-cosolvent solution. Decrease and increase in the solubility, respectively, are ascribed to enhancement and reduction of the hydrophobic effect. Plenty of experimental data are available for the change in solubility of argon or methane arising from the addition. We show that the integral equation theory combined with a rigid-body model, in which the solute and solvent particles are modeled as hard spheres with different diameters, can reproduce the data for the following items: salting out by an alkali halide and salting in by tetramethylammonium bromide, increase in solubility by a monohydric alcohol, and decrease in solubility by sucrose or urea. The orders of cation or anion species in terms of the power of decreasing the solubility can also be reproduced for alkali halides. With the rigid-body model, the analyses are focused on the roles of entropy originating from the translational displacement of solvent particles. It is argued by decomposing the solvation entropy of a nonpolar solute into physically insightful constituents that the solvent crowding in the bulk is a pivotal factor of the hydrophobic effect: When the solvent crowding in the bulk becomes more serious, the effect is strengthened, and when it becomes less serious, the effect is weakened. It is experimentally known that the thermal stability of a protein is also influenced by the salt or cosolvent addition. The additions which decrease and increase the solubility of a nonpolar solute, respectively, usually enhance and lower the thermal stability. This suggests that the enhanced or reduced hydrophobic effect is also a principal factor governing the stability change. However, urea decreases the solubility but lowers the stability

  6. Sodium tetramethoxyborate: an efficient catalyst for Michael additions of stabilized carbon nucleophiles.

    PubMed

    Campaña, Araceli G; Fuentes, Noelia; Gómez-Bengoa, Enrique; Mateo, Cristina; Oltra, J Enrique; Echavarren, Antonio M; Cuerva, Juan M

    2007-10-12

    Sodium tetramethoxyborate, easily prepared by reaction of inexpensive sodium borohydride with methanol, possesses a suitable combination of a Lewis base and a Lewis acid to catalyze Michael reactions at room temperature under practically neutral conditions. This reaction provides good to excellent yields of Michael addition products from a broad scope of Michael donor and Michael acceptor reagents.

  7. The influence of small additions of diethylenetriamine on the detonation waves stability for nitromethane/acetone solution

    NASA Astrophysics Data System (ADS)

    Mochalova, V.; Utkin, A.

    2014-05-01

    Instability of detonation front in the nitromethane/acetone (NM/A) solution was observed in our previous work: at 10% of acetone the amplitude of heterogeneities was about 20 microns and at 20% of acetone this size was 50 microns. It is known that small additions of diethylenetriamine (DETA) considerably increase the initial rate of chemical reaction in detonation waves for NM. It was expected that DETA would influence the stability of detonation waves in the NM/A solution too. To investigate this phenomenon the laser interferometer VISAR was used for the recording of particle velocity profiles in detonation waves for NM/A. It was found that at the addition of 0.5% DETA to NM/A 90/10 the oscillations in the velocity profile decreased several times over. At the addition of 1% DETA the profile is smooth, i.e. the heterogeneities disappear and detonation wave becomes steady-state. In NM/A 80/20 at the addition of 5% DETA the heterogeneities size is reduced by the order. The increase of detonation wave velocity of NM/A grater than 1% was observed at small concentrations of DETA. Thus it was found that small additions of DETA to the NM/A solution with an unstable detonation front resulted not only in the decrease of heterogeneities size but in their disappearance and stabilization of detonation waves.

  8. Decavanadate interactions with actin: inhibition of G-actin polymerization and stabilization of decameric vanadate.

    PubMed

    Ramos, Susana; Manuel, Miguel; Tiago, Teresa; Duarte, Rui; Martins, Jorge; Gutiérrez-Merino, Carlos; Moura, José J G; Aureliano, Manuel

    2006-11-01

    Decameric vanadate species (V10) inhibit the rate and the extent of G-actin polymerization with an IC50 of 68+/-22 microM and 17+/-2 microM, respectively, whilst they induce F-actin depolymerization at a lower extent. On contrary, no effect on actin polymerization and depolymerization was detected for 2mM concentration of "metavanadate" solution that contains ortho and metavanadate species, as observed by combining kinetic with (51)V NMR spectroscopy studies. Although at 25 degrees C, decameric vanadate (10 microM) is unstable in the assay medium, and decomposes following a first-order kinetic, in the presence of G-actin (up to 8 microM), the half-life increases 5-fold (from 5 to 27 h). However, the addition of ATP (0.2mM) in the medium not only prevents the inhibition of G-actin polymerization by V10 but it also decreases the half-life of decomposition of decameric vanadate species from 27 to 10h. Decameric vanadate is also stabilized by the sarcoplasmic reticulum vesicles, which raise the half-life time from 5 to 18h whereas no effects were observed in the presence of phosphatidylcholine liposomes, myosin or G-actin alone. It is proposed that the "decavanadate" interaction with G-actin, favored by the G-actin polymerization, stabilizes decameric vanadate species and induces inhibition of G-actin polymerization. Decameric vanadate stabilization by cytoskeletal and transmembrane proteins can account, at least in part, for decavanadate toxicity reported in the evaluation of vanadium (V) effects in biological systems.

  9. The efficiency of quartz addition on electric arc furnace (EAF) carbon steel slag stability.

    PubMed

    Mombelli, D; Mapelli, C; Barella, S; Gruttadauria, A; Le Saout, G; Garcia-Diaz, E

    2014-08-30

    Electric arc furnace slag (EAF) has the potential to be re-utilized as an alternative to stone material, however, only if it remains chemically stable on contact with water. The presence of hydraulic phases such as larnite (2CaO SiO2) could cause dangerous elements to be released into the environment, i.e. Ba, V, Cr. Chemical treatment appears to be the only way to guarantee a completely stable structure, especially for long-term applications. This study presents the efficiency of silica addition during the deslagging period. Microstructural characterization of modified slag was performed by SEM and XRD analysis. Elution tests were performed according to the EN 12457-2 standard, with the addition of silica and without, and the obtained results were compared. These results demonstrate the efficiency of the inertization process: the added silica induces the formation of gehlenite, which, even in caustic environments, does not exhibit hydraulic behaviour.

  10. The effects of zinc addition on the environmental stability of Al-Li alloys

    NASA Technical Reports Server (NTRS)

    Kilmer, Raymond J.; Stoner, Glenn E.

    1990-01-01

    It was found that relatively small addition of Zn can improve the stress corrosion cracking (SCC) resistance of Al-Li alloys. However, the mechanism by which this is accomplished is unclear. The role that Zn plays in altering the behavior of Alloy 8090 is investigated. Early results suggest that Zn additions increase the volume fraction of delta(Al3Li) precipitation and differential scanning calorimetry (DSC) on these alloys confirms this. The four alloys studied each had initial compositions lying in the 8090 window and had varying amounts of Zn added to them. Alloy 8090, like other Al-Li alloys, displays a delta' precipitate free zone (PFZ) upon artificial aging along the grain and subgrain boundaries. However Zn additions greatly decreased or eliminated a delta' PFZ after 100 hours at 160 C. This implies that the subgrain boundary precipitation kinetics are being altered and suppressed. Furthermore, there appears to be a window of Zn concentration above which a delta ' PFZ can reappear with the nucleation and growth of a currently unidentified precipitate on the boundaries. Polarization experiments were performed and the results presented. The experiments were performed in deaerated 3.5 w/o NaCl in both as received (T3) condition and at peak aging of 100 hours at 160 C. The aging profile was determined via Vickers Hardness tests.

  11. Stability of Numerical Interface Conditions for Fluid/Structure Interaction

    SciTech Connect

    Banks, J W; Sjogreen, B

    2009-08-13

    In multi physics computations, where a compressible fluid is coupled with a linearly elastic solid, it is standard to enforce continuity of the normal velocities and of the normal stresses at the interface between the fluid and the solid. In a numerical scheme, there are many ways that the velocity- and stress-continuity can be enforced in the discrete approximation. This paper performs a normal mode analysis to investigate the stability of different numerical interface conditions for a model problem approximated by upwind type of finite difference schemes. The analysis shows that depending on the ratio of densities between the solid and the fluid, some numerical interface conditions are stable up to the maximal CFL-limit, while other numerical interface conditions suffer from a severe reduction of the stable CFL-limit. The paper also presents a new interface condition, obtained as a simplified charcteristic boundary condition, that is proved to not suffer from any reduction of the stable CFL-limit. Numerical experiments in one space dimension show that the new interface condition is stable also for computations with the non-linear Euler equations of compressible fluid flow coupled with a linearly elastic solid.

  12. Quaternary climate - Terrestrial Biosphere Interaction: amplifying or stabilizing?

    NASA Astrophysics Data System (ADS)

    Claussen, Martin

    2016-04-01

    According to the Gaia hypothesis, interaction between climate and biological processes tend to homeostatically maintain, on a global scale, conditions favourable for life. Does the idea of homeostatic interaction between terrestrial biosphere and climate hold for the Quaternary glacial - interglacial changes? Interpretation of palaeoclimate and palaeobotanic evidence by using climate and Earth system models yields an interesting picture. The synergy between the sea-ice albedo - climate feedback and the taiga-tundra - climate feedback is suggested to amplify the orbitally forced climatic precession. This effect seems to be strong at regional scale, but small at global scale. Various simulations indicate that biogeophysical processes amplify the difference of some 4 to 6 K in global mean temperature between glacial and interglacial climate by some 10 percent. The combined effect of biogeophysical and biogeochemical processes, i.e. processes with involve carbon stored in biomass and soil, is less clear. Theoretical studies suggest that in pre-industrial, interglacial climate, a reduction in boreal and extratropical forests tend to cool the climate and a reduction in tropical forest, to warm the climate. Recent estimates in changes in organic carbon stored under ice sheets and in permafrost point at the possibility that the sum of all terrestrial biogeochemical processes might almost "carbon neutral" to the climate system. If corroborated, this observation would favour the assumption of a dominance of biogeophysical processes amplifying orbitally forced Quaternary climate variations.

  13. Study on the interaction of the toxic food additive carmoisine with serum albumins: a microcalorimetric investigation.

    PubMed

    Basu, Anirban; Kumar, Gopinatha Suresh

    2014-05-30

    The interaction of the synthetic azo dye and food colorant carmoisine with human and bovine serum albumins was studied by microcalorimetric techniques. A complete thermodynamic profile of the interaction was obtained from isothermal titration calorimetry studies. The equilibrium constant of the complexation process was of the order of 10(6)M(-1) and the binding stoichiometry was found to be 1:1 with both the serum albumins. The binding was driven by negative standard molar enthalpy and positive standard molar entropy contributions. The binding affinity was lower at higher salt concentrations in both cases but the same was dominated by mostly non-electrostatic forces at all salt concentrations. The polyelectrolytic forces contributed only 5-8% of the total standard molar Gibbs energy change. The standard molar enthalpy change enhanced whereas the standard molar entropic contribution decreased with rise in temperature but they compensated each other to keep the standard molar Gibbs energy change almost invariant. The negative standard molar heat capacity values suggested the involvement of a significant hydrophobic contribution in the complexation process. Besides, enthalpy-entropy compensation phenomenon was also observed in both the systems. The thermal stability of the serum proteins was found to be remarkably enhanced on binding to carmoisine.

  14. A novel approach for stabilizing fresh urine by calcium hydroxide addition

    PubMed Central

    Randall, Dyllon G.; Krähenbühl, Manuel; Köpping, Isabell; Larsen, Tove A.; Udert, Kai M.

    2016-01-01

    In this study, we investigated the prevention of enzymatic urea hydrolysis in fresh urine by increasing the pH with calcium hydroxide (Ca(OH)2) powder. The amount of Ca(OH)2 dissolving in fresh urine depends significantly on the composition of the urine. The different urine compositions used in our simulations showed that between 4.3 and 5.8 g Ca(OH)2 dissolved in 1 L of urine at 25 °C. At this temperature, the pH at saturation is 12.5 and is far above the pH of 11, which we identified as the upper limit for enzymatic urea hydrolysis. However, temperature has a strong effect on the saturation pH, with higher values being achieved at lower temperatures. Based on our results, we recommend a dosage of 10 g Ca(OH)2 L−1 of fresh urine to ensure solid Ca(OH)2 always remains in the urine reactor which ensures sufficiently high pH values. Besides providing sufficient Ca(OH)2, the temperature has to be kept in a certain range to prevent chemical urea hydrolysis. At temperatures below 14 °C, the saturation pH is higher than 13, which favors chemical urea hydrolysis. We chose a precautionary upper temperature of 40 °C because the rate of chemical urea hydrolysis increases at higher temperatures but this should be confirmed with kinetic studies. By considering the boundaries for pH and temperature developed in this study, urine can be stabilized effectively with Ca(OH)2 thereby simplifying later treatment processes or making direct use easier. PMID:27055084

  15. Effect of Si additions on thermal stability and the phase transition sequence of sputtered amorphous alumina thin films

    SciTech Connect

    Bolvardi, H.; Baben, M. to; Nahif, F.; Music, D. Schnabel, V.; Shaha, K. P.; Mráz, S.; Schneider, J. M.; Bednarcik, J.; Michalikova, J.

    2015-01-14

    Si-alloyed amorphous alumina coatings having a silicon concentration of 0 to 2.7 at. % were deposited by combinatorial reactive pulsed DC magnetron sputtering of Al and Al-Si (90-10 at. %) split segments in Ar/O{sub 2} atmosphere. The effect of Si alloying on thermal stability of the as-deposited amorphous alumina thin films and the phase formation sequence was evaluated by using differential scanning calorimetry and X-ray diffraction. The thermal stability window of the amorphous phase containing 2.7 at. % of Si was increased by more than 100 °C compared to that of the unalloyed phase. A similar retarding effect of Si alloying was also observed for the α-Al{sub 2}O{sub 3} formation temperature, which increased by more than 120 °C. While for the latter retardation, the evidence for the presence of SiO{sub 2} at the grain boundaries was presented previously, this obviously cannot explain the stability enhancement reported here for the amorphous phase. Based on density functional theory molecular dynamics simulations and synchrotron X-ray diffraction experiments for amorphous Al{sub 2}O{sub 3} with and without Si incorporation, we suggest that the experimentally identified enhanced thermal stability of amorphous alumina with addition of Si is due to the formation of shorter and stronger Si–O bonds as compared to Al–O bonds.

  16. Contribution of dipole-dipole interactions to the stability of the collagen triple helix.

    PubMed

    Improta, Roberto; Berisio, Rita; Vitagliano, Luigi

    2008-05-01

    Unveiling sequence-stability and structure-stability relationships is a major goal of protein chemistry and structural biology. Despite the enormous efforts devoted, answers to these issues remain elusive. In principle, collagen represents an ideal system for such investigations due to its simplified sequence and regular structure. However, the definition of the molecular basis of collagen triple helix stability has hitherto proved to be a difficult task. Particularly puzzling is the decoding of the mechanism of triple helix stabilization/destabilization induced by imino acids. Although the propensity-based model, which correlates the propensities of the individual imino acids with the structural requirements of the triple helix, is able to explicate most of the experimental data, it is unable to predict the rather high stability of peptides embedding Gly-Hyp-Hyp triplets. Starting from the available X-ray structures of this polypeptide, we carried out an extensive quantum chemistry analysis of the mutual interactions established by hydroxyproline residues located at the X and Y positions of the Gly-X-Y motif. Our data clearly indicate that the opposing rings of these residues establish significant van der Waals and dipole-dipole interactions that play an important role in triple helix stabilization. These findings suggest that triple helix stabilization can be achieved by distinct structural mechanisms. The interplay of these subtle but recurrent effects dictates the overall stability of this widespread structural motif.

  17. Myosin heavy chain is stabilized by BCL-2 interacting cell death suppressor (BIS) in skeletal muscle

    PubMed Central

    Hong, Jin; Park, Jun-Sub; Lee, Hyun; Jeong, Jaemin; Hyeon Yun, Hye; Yun Kim, Hye; Ko, Young-Gyu; Lee, Jeong-Hwa

    2016-01-01

    BCL-2 interacting cell death suppressor (BIS), which is ubiquitously expressed, has important roles in various cellular processes, such as apoptosis, the cellular stress response, migration and invasion and protein quality control. In particular, BIS is highly expressed in skeletal and cardiac muscles, and BIS gene mutations result in human myopathy. In this study, we show that mRNA and protein levels of BIS were markedly increased during skeletal myogenesis in C2C12 cells and mouse satellite cells. BIS knockdown did not prevent the early stage of skeletal myogenesis, but did induce muscle atrophy and a decrease in the diameter of myotubes. BIS knockdown significantly suppressed the expression level of myosin heavy chain (MyHC) without changing the expression levels of myogenic marker proteins, such as Mgn, Cav-3 and MG53. In addition, BIS endogenously interacted with MyHC, and BIS knockdown induced MyHC ubiquitination and degradation. From these data, we conclude that molecular association of MyHC and BIS is necessary for MyHC stabilization in skeletal muscle. PMID:27034027

  18. PHI-base update: additions to the pathogen–host interaction database

    PubMed Central

    Winnenburg, Rainer; Urban, Martin; Beacham, Andrew; Baldwin, Thomas K.; Holland, Sabrina; Lindeberg, Magdalen; Hansen, Hilde; Rawlings, Christopher; Hammond-Kosack, Kim E.; Köhler, Jacob

    2008-01-01

    The pathogen–host interaction database (PHI-base) is a web-accessible database that catalogues experimentally verified pathogenicity, virulence and effector genes from bacterial, fungal and Oomycete pathogens, which infect human, animal, plant, insect, fish and fungal hosts. Plant endophytes are also included. PHI-base is therefore an invaluable resource for the discovery of genes in medically and agronomically important pathogens, which may be potential targets for chemical intervention. The database is freely accessible to both academic and non-academic users. This publication describes recent additions to the database and both current and future applications. The number of fields that characterize PHI-base entries has almost doubled. Important additional fields deal with new experimental methods, strain information, pathogenicity islands and external references that link the database to external resources, for example, gene ontology terms and Locus IDs. Another important addition is the inclusion of anti-infectives and their target genes that makes it possible to predict the compounds, that may interact with newly identified virulence factors. In parallel, the curation process has been improved and now involves several external experts. On the technical side, several new search tools have been provided and the database is also now distributed in XML format. PHI-base is available at: http://www.phi-base.org/. PMID:17942425

  19. Catalytic enantioselective addition of organoboron reagents to fluoroketones controlled by electrostatic interactions

    NASA Astrophysics Data System (ADS)

    Lee, Kyunga; Silverio, Daniel L.; Torker, Sebastian; Robbins, Daniel W.; Haeffner, Fredrik; van der Mei, Farid W.; Hoveyda, Amir H.

    2016-08-01

    Organofluorine compounds are central to modern chemistry, and broadly applicable transformations that generate them efficiently and enantioselectively are in much demand. Here we introduce efficient catalytic methods for the addition of allyl and allenyl organoboron reagents to fluorine-substituted ketones. These reactions are facilitated by readily and inexpensively available catalysts and deliver versatile and otherwise difficult-to-access tertiary homoallylic alcohols in up to 98% yield and >99:1 enantiomeric ratio. Utility is highlighted by a concise enantioselective approach to the synthesis of the antiparasitic drug fluralaner (Bravecto, presently sold as the racemate). Different forms of ammonium-organofluorine interactions play a key role in the control of enantioselectivity. The greater understanding of various non-bonding interactions afforded by these studies should facilitate the future development of transformations that involve fluoroorganic entities.

  20. Catalytic enantioselective addition of organoboron reagents to fluoroketones controlled by electrostatic interactions

    PubMed Central

    Lee, KyungA; Silverio, Daniel L.; Torker, Sebastian; Robbins, Daniel W.; Haeffner, Fredrik; van der Mei, Farid W.; Hoveyda, Amir H.

    2016-01-01

    Organofluorine compounds are central to modern chemistry, and broadly applicable transformations that generate them efficiently and enantioselectively are in much demand. Here we introduce efficient catalytic methods for additions of allyl and allenyl organoboron reagents to fluorine-substituted ketones. These reactions are facilitated by readily and inexpensively available catalysts and deliver versatile and otherwise difficult-to-access tertiary homoallylic alcohols in up to 98% yield and >99:1 enantiomeric ratio. Utility is highlighted by a concise enantioselective approach to synthesis of anti-parasitic drug Bravecto™ (presently sold as the racemate). Different forms of ammonium-organofluorine interactions play a key role in controlling enantioselectivity. The greater understanding of various non-bonding interactions afforded by these studies should facilitate future development of transformations involving fluoro-organic entities. PMID:27442282

  1. Impact of bentonite additions during vinification on protein stability and volatile compounds of Albariño wines.

    PubMed

    Lira, Eugenio; Rodríguez-Bencomo, Juan José; Salazar, Fernando N; Orriols, Ignacio; Fornos, Daniel; López, Francisco

    2015-03-25

    Today, bentonite continues to be one of the most used products to remove proteins in white wines in order to avoid their precipitation in bottles. However, excessive use of bentonite has negative effects on the aroma of final wine, so the optimization of the dose and the time of its application are important for winemakers. This paper analyzes how applying an equal dose of bentonite at different stages (must clarification; beginning, middle, and end of fermentation) affects the macromolecular profile, protein stability, physical-chemical characteristics and aromatic profile of the wine obtained. The results showed the addition during fermentation (especially in the middle and at the end) reduced the total dose required for protein stabilization of Albariño wines and maintained the sensory characteristics of this variety.

  2. Stabilization of inorganic mixed waste to pass the TCLP and STLC tests using clay and pH-insensitive additives

    SciTech Connect

    Bowers, J.S.; Anson, J.R.; Painter, S.M.; Maitino, R.E.

    1995-03-01

    Stabilization traps toxic contaminants (usually both chemically and physically) in a matrix so that they do not leach into the environment. Typical contaminants are metals (mostly transition metals) that exhibit the characteristic of toxicity. The stabilization process routinely uses pozzolanic materials. Portland cement, fly ash-lime mixes, gypsum cements, and clays are some of the most common materials. In many instances, materials that can pass the Toxicity Characteristic Leaching Procedure (TCLP-the federal leach test) or the Soluble Threshold Leachate Concentration (STLC-the California leach test) must have high concentrations of lime or other caustic material because of the low pH of the leaching media. Both leaching media, California`s and EPA`s, have a pH of 5.0. California uses citric acid and sodium citrate while EPA uses acetic acid and sodium acetate. These media can form ligands that provide excellent metal leaching. Because of the aggressive nature of the leaching medium, stabilized wastes in many cases will not pass the leaching tests. At the Lawrence Livermore National Laboratory, additives such as dithiocarbamates and thiocarbonates, which are pH-insensitive and provide resistance to ligand formation, are used in the waste stabilization process. Attapulgite, montmorillonite, and sepiolite clays are used because they are forgiving (recipe can be adjusted before the matrix hardens). The most frequently used stabilization process consists of a customized recipe involving waste sludge, clay and dithiocarbamate salt, mixed with a double planetary mixer into a pasty consistency. TCLP and STLC data on this waste matrix have shown that the process matrix meets land disposal requirements.

  3. Interactive effects between N addition and disturbance on boreal forest ecosystem structure and function

    NASA Astrophysics Data System (ADS)

    Nordin, Annika; Strengbom, Joachim; From, Fredrik

    2014-05-01

    In management of boreal forests, nitrogen (N) enrichment from atmospheric deposition or from forest fertilization can appear in combination with land-use related disturbances, i.e. tree harvesting by clear-felling. Long-term interactive effects between N enrichment and disturbance on boreal forest ecosystem structure and function are, however, poorly known. We investigated effects of N enrichment by forest fertilization done > 25 years ago on forest understory species composition in old-growth (undisturbed) forests, and in forests clear-felled 10 years ago (disturbed). In clear-felled forests we also investigated effects of the previous N addition on growth of tree saplings. The results show that the N enrichment effect on the understory species composition was strongly dependent on the disturbance caused by clear-felling. In undisturbed forests, there were small or no effects on understory species composition from N addition. In contrast, effects were large in forests first exposed to N addition and subsequently disturbed by clear-felling. Effects of N addition differed among functional groups of plants. Abundance of graminoids increased (+232%) and abundance of dwarf shrubs decreased (-44%) following disturbance in N fertilized forests. For vascular plants, the two perturbations had contrasting effects on α-(within forests) and β-diversity (among forests): in disturbed forests, N addition reduced, or had no effect on α-diversity, while β-diversity increased. For bryophytes, negative effects of disturbance on α-diversity were smaller in N fertilized forests than in forests not fertilized, while neither N addition nor disturbance had any effects on β-diversity. Moreover, sapling growth in forests clear-felled 10 years ago was significantly higher in previously N fertilized forests than in forests not fertilized. Our study show that effects of N addition on plant communities may appear small, short-lived, or even absent until exposed to a disturbance. This

  4. Role of interaction forces in controlling the stability and polishing performance of CMP slurries.

    PubMed

    Basim, G Bahar; Vakarelski, Ivan U; Moudgil, Brij M

    2003-07-15

    Chemical mechanical polishing (CMP) is an essential step in metal and dielectric planarization in multilayer microelectronic device fabrication. In the CMP process it is necessary to minimize the extent of surface defect formation while maintaining good planarity and optimal material removal rates. These requirements are met through the control of chemical and mechanical interactions during the polishing process by engineering the slurry chemistry, particulate properties, and stability. In this study, the performance of surfactant-stabilized silica CMP slurries at high pH and high ionic strengths are investigated with particular emphasis on the particle-particle and particle-substrate interactions. It is shown that for the design of consistently high performing slurries, stability of abrasive particles must be achieved under the dynamic processing conditions of CMP while maintaining sufficient pad-particle-wafer interactions.

  5. Stability of complex food webs: resilience, resistance and the average interaction strength.

    PubMed

    Vallina, Sergio M; Le Quéré, Corinne

    2011-03-07

    In the face of stochastic climatic perturbations, the overall stability of an ecosystem will be determined by the balance between its resilience and its resistance, but their relative importance is still unknown. Using aquatic food web models we study ecosystem stability as a function of food web complexity. We measured three dynamical stability properties: resilience, resistance, and variability. Specifically, we evaluate how a decrease in the strength of predator-prey interactions with food web complexity, reflecting a decrease in predation efficiency with the number of prey per predator, affects the overall stability of the ecosystem. We find that in mass conservative ecosystems, a lower interaction strength slows down the mass cycling rate in the system and this increases its resistance to perturbations of the growth rate of primary producers. Furthermore, we show that the overall stability of the food webs is mostly given by their resistance, and not by their resilience. Resilience and resistance display opposite trends, although they are shown not to be simply opposite concepts but rather independent properties. The ecological implication is that weaker predator-prey interactions in closed ecosystems can stabilize food web dynamics by increasing its resistance to climatic perturbations.

  6. Water Retention and Structure Stability in Smectitic or Kaolinitic Loam and Clay Soils Affected by Polyacrylamide Addition

    NASA Astrophysics Data System (ADS)

    Mamedov, Amirakh; Levy, Guy

    2015-04-01

    results suggest that determining the efficacy of different PAM applications in the field in improving water retention and soil structure is complex. Therefore soil properties (clay mineralogy, soil texture) and field conditions (moisture content) should be considered when determining the optimal rate of PAM application. The mechanisms responsible for PAM-soil interaction impacts on soil structure, stability indices and model parameters are discussed in the paper.

  7. Contribution of temperament to eating disorder symptoms in emerging adulthood: Additive and interactive effects.

    PubMed

    Burt, Nicole M; Boddy, Lauren E; Bridgett, David J

    2015-08-01

    Temperament characteristics, such as higher negative emotionality (NE) and lower effortful control (EC), are individual difference risk factors for developmental psychopathology. Research has also noted relations between temperament and more specific manifestations of psychopathology, such as eating disorders (EDs). Although work is emerging that indicates that NE and EC may additively contribute to risk for ED symptoms, no studies have considered the interactive effects of NE and EC in relation to ED symptoms. In the current investigation, we hypothesized that (1) low EC would be associated with increased ED symptoms, (2) high NE would be associated with increased ED symptoms, and (3) these temperament traits would interact, such that the relationship between NE and ED symptoms would be strongest in the presence of low EC. After controlling for gender and child trauma history, emerging adults' (N=160) lower EC (i.e., more difficulties with self-regulation) was associated with more ED symptoms. NE did not emerge as a direct predictor of ED symptoms. However, the anticipated interaction of these temperament characteristics on ED symptoms was found. The association between NE and ED symptoms was only significant in the context of low EC. These findings provide evidence that elevated NE may only be a risk factor for the development of eating disorders when individuals also have self-regulation difficulties. The implications of these findings for research and interventions are discussed.

  8. Genetic evidence for an additional function of phage T4 gene 32 protein: interaction with ligase.

    PubMed

    Mosig, G; Breschkin, A M

    1975-04-01

    Gene 32 of bacteriophage T4 is essential for DNA replication, recombination, and repair. In an attempt to clarify the role of the corresponding gene product, we have looked for mutations that specifically inactivate one but not all of its functions and for compensating suppressor mutations in other genes. Here we describe a gene 32 ts mutant that does not produce progeny, but in contrast to an am mutant investigated by others, is capable of some primary and secondary DNA replication and of forming "joint" recombinational intermediates after infection of Escherichia coli B at the restrictive temperature. However, parental and progeny DNA strands are not ligated to covalently linked "recombinant" molecules, and single strands of vegetative DNA do not exceed unit length. Progeny production as well as capacity for covalent linkage in this gene 32 ts mutant are partially restored by additional rII mutations. Suppression by rII depends on functioning host ligase [EC 6.5.1.2; poly(deoxyribonucleotide):poly(deoxyribonucleotide) ligase (AMP-forming, NMN-forming)]. This gene 32 ts mutation (unlike some others) in turn suppresses the characteristic plaque morphology of rII mutants. We conclude that gene 32 protein, in addition to its role in DNA replication and in the formation of "joint" recombinational intermediates, interacts with T4 ligase [EC 6.5.1.1; poly(deoxyribonucleotide):poly(deoxyribonucleotide) ligase (AMP-forming)] when recombining DNA strands are covalently linked. The protein of the mutant that we describe here is mainly defective in this interaction, thus inactivating T4 ligase in recombination. Suppressing rII mutations facilitate substitution of host ligase. There is suggestive evidence that these interactions occur at the membrane.

  9. Nonlinear Model of the Specificity of DNA-Protein Interactions and Its Stability

    NASA Astrophysics Data System (ADS)

    Dwiputra, D.; Hidayat, W.; Khairani, R.; Zen, F. P.

    2016-08-01

    Specific DNA-protein interactions are fundamental processes of living cells. We propose a new model of DNA-protein interactions to explain the site specificity of the interactions. The hydrogen bonds between DNA base pairs and between DNA-protein peptide groups play a significant role in determination of the specific binding site. We adopt the Morse potential with coupling terms to construct the Hamiltonian of coupled oscillators representing the hydrogen bonds in which the depth of the potentials vary in the DNA chain. In this paper we investigate the stability of the model to determine the conditions satisfying the biological circumstances of the DNA-protein interactions.

  10. Nested species interactions promote feasibility over stability during the assembly of a pollinator community.

    PubMed

    Saavedra, Serguei; Rohr, Rudolf P; Olesen, Jens M; Bascompte, Jordi

    2016-02-01

    The foundational concepts behind the persistence of ecological communities have been based on two ecological properties: dynamical stability and feasibility. The former is typically regarded as the capacity of a community to return to an original equilibrium state after a perturbation in species abundances and is usually linked to the strength of interspecific interactions. The latter is the capacity to sustain positive abundances on all its constituent species and is linked to both interspecific interactions and species demographic characteristics. Over the last 40 years, theoretical research in ecology has emphasized the search for conditions leading to the dynamical stability of ecological communities, while the conditions leading to feasibility have been overlooked. However, thus far, we have no evidence of whether species interactions are more conditioned by the community's need to be stable or feasible. Here, we introduce novel quantitative methods and use empirical data to investigate the consequences of species interactions on the dynamical stability and feasibility of mutualistic communities. First, we demonstrate that the more nested the species interactions in a community are, the lower the mutualistic strength that the community can tolerate without losing dynamical stability. Second, we show that high feasibility in a community can be reached either with high mutualistic strength or with highly nested species interactions. Third, we find that during the assembly process of a seasonal pollinator community located at The Zackenberg Research Station (northeastern Greenland), a high feasibility is reached through the nested species interactions established between newcomer and resident species. Our findings imply that nested mutualistic communities promote feasibility over stability, which may suggest that the former can be key for community persistence.

  11. Specificity in transmembrane helix–helix interactions can define a hierarchy of stability for sequence variants

    PubMed Central

    Fleming, Karen G.; Engelman, Donald M.

    2001-01-01

    The folding, stability, and oligomerization of helical membrane proteins depend in part on a precise set of packing interactions between transmembrane helices. To understand the energetic principles of these helix–helix interactions, we have used alanine-scanning mutagenesis and sedimentation equilibrium analytical ultracentrifugation to quantitatively examine the sequence dependence of the glycophorin A transmembrane helix dimerization. In all cases, we found that mutations to alanine at interface positions cost free energy of association. In contrast, mutations to alanine away from the dimer interface showed free energies of association that are insignificantly different from wild-type or are slightly stabilizing. Our study further revealed that the energy of association is not evenly distributed across the interface, but that there are several “hot spots” for interaction including both glycines participating in a GxxxG motif. Inspection of the NMR structure indicates that simple principles of protein–protein interactions can explain the changes in energy that are observed. A comparison of the dimer stability between different hydrophobic environments suggested that the hierarchy of stability for sequence variants is conserved. Together, these findings imply that the protein–protein interaction portion of the overall association energy may be separable from the contributions arising from protein–lipid and lipid–lipid energy terms. This idea is a conceptual simplification of the membrane protein folding problem and has implications for prediction and design. PMID:11724930

  12. Thermodynamics of the interaction of the food additive tartrazine with serum albumins: a microcalorimetric investigation.

    PubMed

    Basu, Anirban; Kumar, Gopinatha Suresh

    2015-05-15

    The thermodynamics of the interaction of the food colourant tartrazine with two homologous serum proteins, HSA and BSA, were investigated, employing microcalorimetric techniques. At T=298.15K the equilibrium constants for the tartrazine-BSA and HSA complexation process were evaluated to be (1.92 ± 0.05) × 10(5)M(-1) and (1.04 ± 0.05) × 10(5)M(-1), respectively. The binding was driven by a large negative standard molar enthalpic contribution. The binding was dominated essentially by non-polyelectrolytic forces which remained largely invariant at all salt concentrations. The polyelectrolytic contribution was weak at all salt concentrations and accounted for only 6-18% of the total standard molar Gibbs energy change in the salt concentration range 10-50mM. The negative standard molar heat capacity values, in conjunction with the enthalpy-entropy compensation phenomenon observed, established the involvement of dominant hydrophobic forces in the complexation process. Tartrazine enhanced the stability of both serum albumins against thermal denaturation.

  13. Additivity in protein–DNA interactions: how good an approximation is it?

    PubMed Central

    Benos, Panayiotis V.; Bulyk, Martha L.; Stormo, Gary D.

    2002-01-01

    Man and Stormo and Bulyk et al. recently presented their results on the study of the DNA binding affinity of proteins. In both of these studies the main conclusion is that the additivity assumption, usually applied in methods to search for binding sites, is not true. In the first study, the analysis of binding affinity data from the Mnt repressor protein bound to all possible DNA (sub)targets at positions 16 and 17 of the binding site, showed that those positions are not independent. In the second study, the authors analysed DNA binding affinity data of the wild-type mouse EGR1 protein and four variants differing on the middle finger. The binding affinity of these proteins was measured to all 64 possible trinucleotide (sub)targets of the middle finger using microarray technology. The analysis of the measurements also showed interdependence among the positions in the DNA target. In the present report, we review the data of both studies and we re- analyse them using various statistical methods, including a comparison with a multiple regression approach. We conclude that despite the fact that the additivity assumption does not fit the data perfectly, in most cases it provides a very good approximation of the true nature of the specific protein–DNA interactions. Therefore, additive models can be very useful for the discovery and prediction of binding sites in genomic DNA. PMID:12384591

  14. Competing interactions contributing to alpha-helical stability in aqueous solution.

    PubMed Central

    Bodkin, M. J.; Goodfellow, J. M.

    1995-01-01

    The stability of a 15-residue peptide has been investigated using CD spectroscopy and molecular simulation techniques. The sequence of the peptide was designed to include key features that are known to stabilize alpha-helices, including ion pairs, helix dipole capping, peptide bond capping, and aromatic interactions. The degree of helicity has been determined experimentally by CD in three solvents (aqueous buffer, methanol, and trifluoroethanol) and at two temperatures. Simulations of the peptide in the aqueous system have been performed over 500 ps at the same two temperatures using a fully explicit solvent model. Consistent with the CD data, the degree of helicity is decreased at the higher temperature. Our analysis of the simulation results has focused on competition between different side-chain/side-chain and side-chain/main-chain interactions, which can, in principle, stabilize the helix. The unfolding in aqueous solution occurs at the amino terminus because the side-chain interactions are insufficient to stabilize both the helix dipole and the peptide hydrogen bonds. Loss of capping of the peptide backbone leads to water insertion within the first peptide hydrogen bond and hence unfolding. In contrast, the carboxy terminus of the alpha-helix is stable in both simulations because the C-terminal lysine residue stabilizes the helix dipole, but at the expense of an ion pair. PMID:7613460

  15. Effects of air exposure, temperature and additives on fermentation characteristics, yeast count, aerobic stability and volatile organic compounds in corn silage.

    PubMed

    Weiss, K; Kroschewski, B; Auerbach, H

    2016-10-01

    Ensiling conditions strongly influence fermentation characteristics, yeast count, and aerobic stability. Numerous volatile organic compounds including esters are produced, which may negatively affect feed intake and animal performance and air quality. In addition to a farm survey, 3 laboratory experiments were carried out to study the effects of air (by delayed sealing or by air infiltration during anaerobic storage), temperature (20 and 35°C), and various types of additives [blends of either sodium benzoate and sodium propionate (SBSP) or of sodium benzoate and potassium sorbate (SBPS); buffered mixture of formic and propionic acids (FAPA); homofermentative inoculant (LAB)]. After additive treatment, chopped whole corn plants were packed into 1.5-L glass jars and stored for several months. For treatments with air infiltration, glass jars with holes in the lid and body were used. The farm survey in 2009 revealed large variation in lactate, acetate, ethanol, n-propanol, and 1,2-propanediol concentrations. Whereas ethyl esters were detected in all silages, the mean ethyl lactate concentrations were higher than those for ethyl acetate (474 vs. 38mg/kg of dry matter). In the ensiling experiments, few unequivocal effects of the tested factors on the analyzed parameters were observed due to many interactions. Delayed ensiling without additives decreased lactic acid production but, in one trial, increased acetic acid and had no effect on ethanol. The effect of delayed sealing on yeast counts and aerobic stability differed widely among experiments. Air infiltration during fermentation tested in one trial did not alter lactic acid production, but resulted in more acetic acid in delayed and more ethanol than in promptly sealed untreated silages. Greater ethanol production was associated with increased yeast numbers. Storage at high temperature resulted in lower lactic acid and n-propanol, and a trend toward reduced ethanol production was observed. The additive FAPA

  16. SmaggIce 2.0: Additional Capabilities for Interactive Grid Generation of Iced Airfoils

    NASA Technical Reports Server (NTRS)

    Kreeger, Richard E.; Baez, Marivell; Braun, Donald C.; Schilling, Herbert W.; Vickerman, Mary B.

    2008-01-01

    The Surface Modeling and Grid Generation for Iced Airfoils (SmaggIce) software toolkit has been extended to allow interactive grid generation for multi-element iced airfoils. The essential phases of an icing effects study include geometry preparation, block creation and grid generation. SmaggIce Version 2.0 now includes these main capabilities for both single and multi-element airfoils, plus an improved flow solver interface and a variety of additional tools to enhance the efficiency and accuracy of icing effects studies. An overview of these features is given, especially the new multi-element blocking strategy using the multiple wakes method. Examples are given which illustrate the capabilities of SmaggIce for conducting an icing effects study for both single and multi-element airfoils.

  17. Theoretical and experimental studies of the stability of drug-drug interact

    NASA Astrophysics Data System (ADS)

    Soares, Monica F. R.; Alves, Lariza D. S.; Nadvorny, Daniela; Soares-Sobrinho, José L.; Rolim-Neto, Pedro J.

    2016-11-01

    Several factors can intervene in the molecular properties and consequently in the stability of drugs. The molecular complexes formation often occur due to favor the formation of hydrogen bonds, leading the system to configuration more energy stable. This work we aim to investigate through theoretical and experimental methods the relation between stability and properties of molecular complexes the molecular complex formed between the drugs, efavirenz (EFV), lamivudine (3TC) and zidovudine (AZT). With this study was possible determining the most stable complex formed between the compounds evaluated. In addition the energy and structural properties of the complex formed in relation to its individual components allowed us to evaluate the stability of the same.

  18. Synthesis, Characterization, Molecular Modeling, and DNA Interaction Studies of Copper Complex Containing Food Additive Carmoisine Dye.

    PubMed

    Shahabadi, Nahid; Akbari, Alireza; Jamshidbeigi, Mina; Khodarahmi, Reza

    2016-06-02

    A copper complex of carmoisine dye; [Cu(carmoisine)2(H2O)2]; was synthesized and characterized by using physico-chemical and spectroscopic methods. The binding of this complex with calf thymus (ct) DNA was investigated by circular dichroism, absorption studies, emission spectroscopy, and viscosity measurements. UV-vis results confirmed that the Cu complex interacted with DNA to form a ground-state complex and the observed binding constant (2× 10(4) M(-1)) is more in keeping with the groove bindings with DNA. Furthermore, the viscosity measurement result showed that the addition of complex causes no significant change on DNA viscosity and it indicated that the intercalation mode is ruled out. The thermodynamic parameters are calculated by van't Hoff equation, which demonstrated that hydrogen bonds and van der Waals interactions played major roles in the reaction. The results of circular dichroism (CD) suggested that the complex can change the conformation of DNA from B-like form toward A-like conformation. The cytotoxicity studies of the carmoisine dye and its copper complex indicated that both of them had anticancer effects on HT-29 (colon cancer) cell line and they may be new candidates for treatment of the colon cancer.

  19. Additive and interactive effects of plant genotypic diversity on arthropod communities and plant fitness.

    PubMed

    Johnson, Marc T J; Lajeunesse, Marc J; Agrawal, Anurag A

    2006-01-01

    Recent research suggests that genetic diversity in plant populations can shape the diversity and abundance of consumer communities. We tested this hypothesis in a field experiment by manipulating patches of Evening Primrose (Oenothera biennis) to contain one, four or eight plant genotypes. We then surveyed 92 species of naturally colonizing arthropods. Genetically diverse plant patches had 18% more arthropod species, and a greater abundance of omnivorous and predacious arthropods, but not herbivores, compared with monocultures. The effects of genotypic diversity on arthropod communities were due to a combination of interactive and additive effects among genotypes within genetically diverse patches. Greater genetic diversity also led to a selective feedback, as mean genotype fitness was 27% higher in diverse patches than in monocultures. A comparison between our results and the literature reveals that genetic diversity and species diversity can have similar qualitative and quantitative effects on arthropod communities. Our findings also illustrate the benefit of preserving genetic variation to conserve species diversity and interactions within multitrophic communities.

  20. Phytosterol moiety effects on stability, tocopherol interaction, and anti-polymerization activity of phytosteryl ferulates

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The antioxidant, anti-polymerization, stability, and interaction with tocopherols of corn and rice phytosteryl ferulates have been compared in several heating and frying studies. We have found that corn steryl ferulates are very protective of soybean oil from polymerization during heating and frying...

  1. Stability of Maternal Discipline Practices and the Quality of Mother-Child Interaction during Toddlerhood

    ERIC Educational Resources Information Center

    Huang, Keng-Yen; Caughy, Margaret O'Brien; Lee, Li-Ching; Miller, Therese; Genevro, Janice

    2008-01-01

    This study examined the stability of maternal punitive/high-power discipline (PD) and inductive/authoritative discipline (ID) over the second and third years of life and the effect of maternal discipline on quality of mother-child interactions. Data from a longitudinal sample with 179 mother-toddler dyads were analyzed, and selected factors (i.e.,…

  2. Origin of molecular conformational stability: perspectives from molecular orbital interactions and density functional reactivity theory.

    PubMed

    Liu, Shubin; Schauer, Cynthia K

    2015-02-07

    To have a quantitative understanding about the origin of conformation stability for molecular systems is still an unaccomplished task. Frontier orbital interactions from molecular orbital theory and energy partition schemes from density functional reactivity theory are the two approaches available in the literature that can be used for this purpose. In this work, we compare the performance of these approaches for a total of 48 simple molecules. We also conduct studies to flexibly bend bond angles for water, carbon dioxide, borane, and ammonia molecules to obtain energy profiles for these systems over a wide range of conformations. We find that results from molecular orbital interactions using frontier occupied orbitals such as the highest occupied molecular orbital and its neighbors are only qualitatively, at most semi-qualitatively, trustworthy. To obtain quantitative insights into relative stability of different conformations, the energy partition approach from density functional reactivity theory is much more reliable. We also find that the electrostatic interaction is the dominant descriptor for conformational stability, and steric and quantum effects are smaller in contribution but their contributions are indispensable. Stable molecular conformations prefer to have a strong electrostatic interaction, small molecular size, and large exchange-correlation effect. This work should shed new light towards establishing a general theoretical framework for molecular stability.

  3. Contributions of cation-π interactions to the collagen triple helix stability.

    PubMed

    Chen, Chia-Ching; Hsu, Wei; Hwang, Kuo-Chu; Hwu, Jih Ru; Lin, Chun-Cheng; Horng, Jia-Cherng

    2011-04-01

    Cation-π interactions are found to be an important noncovalent force in proteins. Collagen is a right-handed triple helix composed of three left-handed PPII helices, in which (X-Y-Gly) repeats dominate in the sequence. Molecular modeling indicates that cation-π interactions could be formed between the X and Y positions in adjacent collagen strands. Here, we used a host-guest peptide system: (Pro-Hyp-Gly)(3)-(Pro-Y-Gly-X-Hyp-Gly)-(Pro-Hyp-Gly)(3), where X is an aromatic residue and Y is a cationic residue, to study the cation-π interaction in the collagen triple helix. Circular dichroism (CD) measurements and Tm data analysis show that the cation-π interactions involving Arg have a larger contribution to the conformational stability than do those involving Lys, and Trp forms a weaker cation-π interaction with cationic residues than expected as a result of steric effects. The results also show that the formation of cation-π interactions between Arg and Phe depends on their relative positions in the strand. Moreover, the fluorinated and methylated Phe substitutions show that an electron-withdrawing or electron-donating substituent on the aromatic ring can modulate its π-electron density and the cation-π interaction in collagen. Our data demonstrate that the cation-π interaction could play an important role in stabilizing the collagen triple helix.

  4. Interactions of cullin3/KCTD5 complexes with both cytoplasmic and nuclear proteins: Evidence for a role in protein stabilization

    SciTech Connect

    Rutz, Natalja; Heilbronn, Regine; Weger, Stefan

    2015-08-28

    Based on its specific interaction with cullin3 mediated by an N-terminal BTB/POZ homologous domain, KCTD5 has been proposed to function as substrate adapter for cullin3 based ubiquitin E3 ligases. In the present study we tried to validate this hypothesis through identification and characterization of additional KCTD5 interaction partners. For the replication protein MCM7, the zinc finger protein ZNF711 and FAM193B, a yet poorly characterized cytoplasmic protein, we could demonstrate specific interaction with KCTD5 both in yeast two-hybrid and co-precipitation studies in mammalian cells. Whereas trimeric complexes of cullin3 and KCTD5 with the respective KCTD5 binding partner were formed, KCTD5/cullin3 induced polyubiquitylation and/or proteasome-dependent degradation of these binding partners could not be demonstrated. On the contrary, KCTD5 or Cullin3 overexpression increased ZNF711 protein stability. - Highlights: • KCTD5 nuclear translocation depends upon M phase and protein oligomerization. • Identification of MCM7, ZNF711 and FAM193 as KCTD5 interaction partners. • Formation of trimeric complexes of KCTD5/cullin3 with MCM7, ZNF711 and FAM193B. • KCTD5 is not involved in polyubiquitylation of MCM7 replication factor. • The KCTD5/cullin3 complex stabilizes ZNF711 transcription factor.

  5. Stability of an attractive bosonic cloud with van der Waals interaction

    SciTech Connect

    Biswas, Anindya; Das, Tapan Kumar; Salasnich, Luca; Chakrabarti, Barnali

    2010-10-15

    We investigate the structure and stability of Bose-Einstein condensates of {sup 7}Li atoms with realistic van der Waals interactions by using the potential harmonic expansion method. Besides the known low-density metastable solution with a contact {delta}-function interaction, we find a stable branch at a higher density which corresponds to the formation of an atomic cluster. Comparison with the results of a nonlocal effective interaction is also presented. We analyze the effect of trap size on the transition between the two branches of solutions. We also compute the loss rate of a Bose condensate due to two- and three-body collisions.

  6. Reactivity of Dazomet, a Hydraulic Fracturing Additive: Hydrolysis and Interaction with Pyrite

    NASA Astrophysics Data System (ADS)

    Consolazio, N.; Lowry, G. V.; Karamalidis, A.; Hakala, A.

    2015-12-01

    reaction products. Our results indicate the need to determine specific mineral-additive interactions to evaluate the potential risks of chemical use in hydraulic fracturing.

  7. Substantial improvements of long-term stability in encapsulation-free WS2 using highly interacting graphene substrate

    NASA Astrophysics Data System (ADS)

    Kim, Se-Yang; Kwak, Jinsung; Kim, Jung Hwa; Lee, Jae-Ung; Jo, Yongsu; Youb Kim, Sung; Cheong, Hyeonsik; Lee, Zonghoon; Kwon, Soon-Yong

    2017-03-01

    We report the novel role of graphene substrates in obstructing the aging propagation in both the basal planes and edges of two-dimensitional sheets of transition metal dichalcogenides (TMDs). Even after 300 d in ambient air conditions, the epitaxially grown WS2/graphene samples have a clean, uniform surface without any encapsulation. We show that high crystallinity is an effective factor that determines the excellent air stability of WS2/graphene, and we present impressive experimental evidence of the relation between defects and the aging phenomena. Moreover, we reveal the strong interlayer charge interaction as an additional factor for the enhanced air stability as a result of charge transfer-induced doping. This work not only proposes a simple method to create highly stable TMDs by the selection of a suitable substrate but also paves the way for the realization of practical TMDs-based applications.

  8. Interaction between soil mineralogy and the application of crop residues on aggregate stability and hydraulic conductivity of the soil

    NASA Astrophysics Data System (ADS)

    Lado, M.; Kiptoon, R.; Bar-Tal, A.; Wakindiki, I. I. C.; Ben-Hur, M.

    2012-04-01

    One of the main goals of modern agriculture is to achieve sustainability by maintaining crop productivity while avoiding soil degradation. Intensive cultivation could lead to a reduction in soil organic matter that could affect the structure stability and hydraulic conductivity of the soil. Moreover, crops extract nutrients from the soil that are taken away from the field when harvested, and as a consequence, the addition of fertilizers to the soil is necessary to maintain crop productivity. One way to deal with these problems is to incorporate crop residues into the soil after harvest. Crop residues are a source of organic matter that could improve soil physical properties, such as aggregate stability and soil hydraulic conductivity. However, this effect could vary according to other soil properties, such as clay content, clay mineralogy, and the presence of other cementing materials in the soil (mainly carbonates and aluminum and iron oxides). In the present work, the interaction between the addition of chickpea crop residues to the soil and clay mineralogy on aggregate stability and saturated hydraulic conductivity were studied. Chickpea plant residues were added at a rate of 0.5% (w/w) to smectitic, kaolinitic, illitic and non-phyllosilicate soils from different regions. The soils without (control) and with chickpea residues were incubated for 0, 3, 7 and 30 days, and the saturated hydraulic conductivity of the soils was measured in columns after each incubation time. The response of hydraulic conductivity to the addition of residues and incubation time was different in the soils with various mineralogies, although in general, the addition of chickpea residues increased the saturated hydraulic conductivity as compared with the control soils. This positive effect of crop residues on hydraulic conductivity was mainly a result of improved aggregate stability and resistance to slaking during wetting.

  9. Solidification/stabilization of fly ash from city refuse incinerator facility and heavy metal sludge with cement additives.

    PubMed

    Cerbo, Atlas Adonis V; Ballesteros, Florencio; Chen, Teng Chien; Lu, Ming-Chun

    2017-01-01

    Solidification and stabilization are well-known technologies used for treating hazardous waste. These technologies that use cementitious binder have been applied for decades as a final treatment procedure prior to the hazardous waste disposal. In the present work, hazardous waste like fly ash containing high concentrations of heavy metals such Zn (4715.56 mg/kg), Pb (1300.56 mg/kg), and Cu (534.72 mg/kg) and amounts of Ag, Cd, Co, Cr, Mn, and Ni was sampled from a city refuse incinerator facility. This fly ash was utilized in the solidification/stabilization of heavy metal sludge since fly ash has cement-like characteristics. Cement additives such as sodium sulfate, sodium carbonate, and ethylenediaminetetraacetic acid (EDTA) was incorporated to the solidified matrix in order to determine its effect on the solidification/stabilization performance. The solidified matrix was cured for 7, 14, 21, and 28 days prior for its physical and chemical characterizations. The results show that the solidified matrix containing 40% fly ash and 60% cement with heavy metal sludge was the formulation that has the highest fly ash content with a satisfactory strength. The solidified matrix was also able to immobilize the heavy metals both found in the fly ash and sludge based on the toxicity characteristic leaching procedure (TCLP) test. It also shows that the incorporation of sodium carbonate into the solidified matrix not only further improved the compressive strength from 0.36 MPa (without Na2CO3) to 0.54 MPa (with Na2CO3) but also increased its leaching resistance.

  10. Quantifying the stabilizing effects of protein–ligand interactions in the gas phase

    PubMed Central

    Allison, Timothy M.; Reading, Eamonn; Liko, Idlir; Baldwin, Andrew J.; Laganowsky, Arthur; Robinson, Carol V.

    2015-01-01

    The effects of protein–ligand interactions on protein stability are typically monitored by a number of established solution-phase assays. Few translate readily to membrane proteins. We have developed an ion-mobility mass spectrometry approach, which discerns ligand binding to both soluble and membrane proteins directly via both changes in mass and ion mobility, and assesses the effects of these interactions on protein stability through measuring resistance to unfolding. Protein unfolding is induced through collisional activation, which causes changes in protein structure and consequently gas-phase mobility. This enables detailed characterization of the ligand-binding effects on the protein with unprecedented sensitivity. Here we describe the method and software required to extract from ion mobility data the parameters that enable a quantitative analysis of individual binding events. This methodology holds great promise for investigating biologically significant interactions between membrane proteins and both drugs and lipids that are recalcitrant to characterization by other means. PMID:26440106

  11. Hypervalent surface interactions for colloidal stability and doping of silicon nanocrystals

    PubMed Central

    Wheeler, Lance M.; Neale, Nathan R.; Chen, Ting; Kortshagen, Uwe R.

    2013-01-01

    Colloidal semiconductor nanocrystals have attracted attention for cost-effective, solution-based deposition of quantum-confined thin films for optoelectronics. However, two significant challenges must be addressed before practical nanocrystal-based devices can be realized. The first is coping with the ligands that terminate the nanocrystal surfaces. Though ligands provide the colloidal stability needed to cast thin films from solution, these ligands dramatically hinder charge carrier transport in the resulting film. Second, after a conductive film is achieved, doping has proven difficult for further control of the optoelectronic properties of the film. Here we report the ability to confront both of these challenges by exploiting the ability of silicon to engage in hypervalent interactions with hard donor molecules. For the first time, we demonstrate the significant potential of applying the interaction to the nanocrystal surface. In this study, hypervalent interactions are shown to provide colloidal stability as well as doping of silicon nanocrystals. PMID:23893292

  12. Distinguishability and chiral stability in solution: Effects of decoherence and intermolecular interactions

    SciTech Connect

    Han, Heekyung; Wardlaw, David M.; Frolov, Alexei M.

    2014-05-28

    We examine the effect of decoherence and intermolecular interactions (chiral discrimination energies) on the chiral stability and the distinguishability of initially pure versus mixed states in an open chiral system. Under a two-level approximation for a system, intermolecular interactions are introduced by a mean-field theory, and interaction between a system and an environment is modeled by a continuous measurement of a population difference between the two chiral states. The resultant equations are explored for various parameters, with emphasis on the combined effects of the initial condition of the system, the chiral discrimination energies, and the decoherence in determining: the distinguishability as measured by a population difference between the initially pure and mixed states, and the decoherence process; the chiral stability as measured by the purity decay; and the stationary state of the system at times long relative to the time scales of the system dynamics and of the environmental effects.

  13. An additional aromatic interaction improves the thermostability and thermophilicity of a mesophilic family 11 xylanase: structural basis and molecular study.

    PubMed Central

    Georis, J.; de Lemos Esteves, F.; Lamotte-Brasseur, J.; Bougnet, V.; Devreese, B.; Giannotta, F.; Granier, B.; Frère, J. M.

    2000-01-01

    In a general approach to the understanding of protein adaptation to high temperature, molecular models of the closely related mesophilic Streptomyces sp. S38 Xyl1 and thermophilic Thermomonospora fusca TfxA family 11 xylanases were built and compared with the three-dimensional (3D) structures of homologous enzymes. Some of the structural features identified as potential contributors to the higher thermostability of TfxA were introduced in Xyl1 by site-directed mutagenesis in an attempt to improve its thermostability and thermophilicity. A new Y11-Y16 aromatic interaction, similar to that present in TfxA and created in Xyl1 by the T11Y mutation, improved both the thermophilicity and thermostability. Indeed, the optimum activity temperature (70 vs. 60 degrees C) and the apparent Tm were increased by about 9 degrees C, and the mutant was sixfold more stable at 57 degrees C. The combined mutations A82R/F168H/N169D/delta170 potentially creating a R82-D169 salt bridge homologous to that present in TfxA improved the thermostability but not the thermophilicity. Mutations R82/D170 and S33P seemed to be slightly destabilizing and devoid of influence on the optimal activity temperature of Xyl1. Structural analysis revealed that residues Y11 and Y16 were located on beta-strands B1 and B2, respectively. This interaction should increase the stability of the N-terminal part of Xyl1. Moreover, Y11 and Y16 seem to form an aromatic continuum with five other residues forming putative subsites involved in the binding of xylan (+3, +2, +1, -1, -2). Y11 and Y16 might represent two additional binding subsites (-3, -4) and the T11Y mutation could thus improve substrate binding to the enzyme at higher temperature and thus the thermophilicity of Xyl1. PMID:10752608

  14. A model of a nonlinear DNA-protein interaction system with Killingbeck potential and its stability

    NASA Astrophysics Data System (ADS)

    Syahroni, E.; Suparmi, A.; Cari, C.; Fuad, A.

    2016-11-01

    In this paper, we presented a model of a nonlinear DNA-protein interaction system. The interaction system consisted of a molecule of protein bound with a single chain of DNA. The interaction between DNA chain, especially adenine and thymine, and DNA-protein bound to glutamine and adenine. The forms of these bonds are adapted from the hydrogen bonds. The Killingbeack potential were used to describe both of the interactions. We proposed the Hamiltonian equation to describe the general model of interaction. The interaction model is satisfied when a protein molecule triggers pulses on a DNA chain. An initial shift in position of protein xm should trigger the shift in position of DNA ym , or alter the state. However, an initial shift in DNA, yn , should not alter the state of a rest protein (i.e. xm = 0), otherwise, the protein would not steadily bind. We also investigated the stability of the model from the DNA-protein interaction with Lyapunov function. The stability of system can be determined when we obtained the equilibrium point.

  15. Pressure perturbation calorimetry, heat capacity and the role of water in protein stability and interactions.

    PubMed

    Cooper, A; Cameron, D; Jakus, J; Pettigrew, G W

    2007-12-01

    It is widely acknowledged, and usually self-evident, that solvent water plays a crucial role in the overall thermodynamics of protein stabilization and biomolecular interactions. Yet we lack experimental techniques that can probe unambiguously the nature of protein-water or ligand-water interactions and how they might change during protein folding or ligand binding. PPC (pressure perturbation calorimetry) is a relatively new technique based on detection of the heat effects arising from application of relatively small pressure perturbations (+/-5 atm; 1 atm=101.325 kPa) to dilute aqueous solutions of proteins or other biomolecules. We show here how this can be related to changes in solvation/hydration during protein-protein and protein-ligand interactions. Measurements of 'anomalous' heat capacity effects in a wide variety of biomolecular interactions can also be related to solvation effects as part of a quite fundamental principle that is emerging, showing how the apparently unusual thermodynamics of interactions in water can be rationalized as an inevitable consequence of processes involving the co-operative interaction of multiple weak interactions. This leads to a generic picture of the thermodynamics of protein folding stabilization in which hydrogen-bonding plays a much more prominent role than has been hitherto supposed.

  16. Centrobin–tubulin interaction is required for centriole elongation and stability

    PubMed Central

    Gudi, Radhika; Zou, Chaozhong; Li, Jun

    2011-01-01

    Centrobin is a daughter centriole protein that is essential for centrosome duplication. However, the molecular mechanism by which centrobin functions during centriole duplication remains undefined. In this study, we show that centrobin interacts with tubulin directly, and centrobin–tubulin interaction is pivotal for the function of centrobin during centriole duplication. We found that centrobin is recruited to the centriole biogenesis site via its interaction with tubulins during the early stage of centriole biogenesis, and its recruitment is dependent on hSAS-6 but not centrosomal P4.1–associated protein (CPAP) and CP110. The function of centrobin is also required for the elongation of centrioles, which is likely mediated by its interaction with tubulin. Furthermore, disruption of centrobin–tubulin interaction led to destabilization of existing centrioles and the preformed procentriole-like structures induced by CPAP expression, indicating that centrobin–tubulin interaction is critical for the stability of centrioles. Together, our study demonstrates that centrobin facilitates the elongation and stability of centrioles via its interaction with tubulins. PMID:21576394

  17. Linking computation and experiments to study the role of charge–charge interactions in protein folding and stability

    NASA Astrophysics Data System (ADS)

    Makhatadze, George I.

    2017-02-01

    Over the past two decades there has been an increase in appreciation for the role of surface charge–charge interactions in protein folding and stability. The perception shifted from the belief that charge–charge interactions are not important for protein folding and stability to the near quantitative understanding of how these interactions shape the folding energy landscape. This led to the ability of computational approaches to rationally redesign surface charge–charge interactions to modulate thermodynamic properties of proteins. Here we summarize our progress in understanding the role of charge–charge interactions for protein stability using examples drawn from my own laboratory and touch upon unanswered questions.

  18. Stabilizing Nanosized Si Anodes with the Synergetic Usage of Atomic Layer Deposition and Electrolyte Additives for Li-Ion Batteries.

    PubMed

    Hy, Sunny; Chen, Yi-Hsiu; Cheng, Ho-Ming; Pan, Chun-Jern; Cheng, Ju-Hsiang; Rick, John; Hwang, Bing-Joe

    2015-07-01

    A substantial increase in charging capacity over long cycle periods was made possible by the formation of a flexible weblike network via the combination of Al2O3 atomic layer deposition (ALD) and the electrolyte additive vinylene carbonate (VC). Transmission electron microscopy shows that a weblike network forms after cycling when ALD and VC were used in combination that dramatically increases the cycle stability for the Si composite anode. The ALD-VC combination also showed reduced reactions with the lithium salt, forming a more stable solid electrolyte interface (SEI) absent of fluorinated silicon species, as evidenced by X-ray photoelectron spectroscopy. Although the bare Si composite anode showed only an improvement from a 56% to a 45% loss after 50 cycles, when VC was introduced, the ALD-coated Si anode showed an improvement from a 73% to a 11% capacity loss. Furthermore, the anode with the ALD coating and VC had a capacity of 630 mAh g(-1) after 200 cycles running at 200 mA g(-1), and the bare anode without VC showed a capacity of 400 mAh g(-1) after only 50 cycles. This approach can be extended to other Si systems, and the formation of this SEI is dependent on the thickness of the ALD that affects both capacity and stability.

  19. Simultaneously Enhanced Efficiency and Stability of Polymer Solar Cells by Employing Solvent Additive and Upside-down Drying Method.

    PubMed

    Sun, Qianqian; Zhang, Fujun; An, Qiaoshi; Zhang, Miao; Ma, Xiaoling; Zhang, Jian

    2017-03-15

    The morphology of active layer plays an important role in determining the power conversion efficiency (PCE) and stability of polymer solar cells (PSCs), which strongly depend on the dynamic drying process of active layer. In this work, an efficient and universal method was developed to let active layer undergo upside-down drying process in a covered glass Petri dish. For the PSCs based on PTB7-Th:PC71BM, the champion PCEs were improved from 8.58% to 9.64% by mixing 3 vol % 1,8-di-iodooctane and further to 10.30% by employing upside-down drying method. The enhanced PCEs of PSCs with active layers undergoing upside-down drying process are mainly attributed to the optimized vertical phase separation, the more ordered and tightly packed π-π stacking of polymer molecules. Meanwhile, PC71BM molecules can be frozen in more ordered and tightly packed π-π stacking polymer network, which lead to the enhanced stability of PSCs. The universality of upside-down drying method can be solidly confirmed from PSCs with PTB7:PC71BM, PffBT4T-2OD:PC71BM, or PBDT-TS1:PC71BM as active layers, respectively. The molecular packing and phase separation of blend films with different solvent additives and drying methods were investigated by grazing incidence X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy.

  20. Detecting Departure From Additivity Along a Fixed-Ratio Mixture Ray With a Piecewise Model for Dose and Interaction Thresholds

    PubMed Central

    Gennings, Chris; Wagner, Elizabeth D.; Simmons, Jane Ellen; Plewa, Michael J.

    2010-01-01

    For mixtures of many chemicals, a ray design based on a relevant, fixed mixing ratio is useful for detecting departure from additivity. Methods for detecting departure involve modeling the response as a function of total dose along the ray. For mixtures with many components, the interaction may be dose dependent. Therefore, we have developed the use of a three-segment model containing both a dose threshold and an interaction threshold. Prior to the dose threshold, the response is that of background; between the dose threshold and the interaction threshold, an additive relationship exists; the model allows for departure from additivity beyond the interaction threshold. With such a model, we can conduct a hypothesis test of additivity, as well as a test for a region of additivity. The methods are illustrated with cytotoxicity data that arise when Chinese hamster ovary cells are exposed to a mixture of nine haloacetic acids. PMID:21359103

  1. Stabilization of collagen through bioconversion: An insight in protein-protein interaction.

    PubMed

    Usharani, Nagarajan; Jayakumar, Gladstone Christopher; Kanth, Swarna Vinodh; Rao, Jonnalagadda Raghava

    2014-08-01

    Collagen is a natural protein, which is used as a vital biomaterial in tissue engineering. The major concern about native collagen is lack of its thermal stability and weak resistance to proteolytic degradation. In this scenario, the crosslinking compounds used for stabilization of collagen are mostly of chemical nature and exhibit toxicity. The enzyme mediated crosslinking of collagen provides a novel alternative, nontoxic method for stabilization. In this study, aldehyde forming enzyme (AFE) is used in the bioconversion of hydroxylmethyl groups of collagen to formyl groups that results in the formation of peptidyl aldehyde. The resulted peptidyl aldehyde interacts with bipolar ions of basic amino acid residues of collagen. Further interaction leads to the formation of conjugated double bonds (aldol condensation involving the aldehyde group of peptidyl aldehyde) within the collagen. The enzyme modified collagen matrices have shown an increase in the denaturation temperature, when compared with native collagen. Enzyme modified collagen membranes exhibit resistance toward collagenolytic activity. Moreover, they exhibited a nontoxic nature. The catalytic activity of AFE on collagen as a substrate establishes an efficient modification, which enhances the structural stability of collagen. This finds new avenues in the context of protein-protein stabilization and discovers paramount application in tissue engineering.

  2. Kinetics of the addition of olefins to Si-centered radicals: the critical role of dispersion interactions revealed by theory and experiment.

    PubMed

    Johnson, Erin R; Clarkin, Owen J; Dale, Stephen G; DiLabio, Gino A

    2015-06-04

    Solution-phase rate constants for the addition of selected olefins to the triethylsilyl and tris(trimethylsilyl)silyl radicals are measured using laser-flash photolysis and competition kinetics. The results are compared with predictions from density functional theory (DFT) calculations, both with and without dispersion corrections obtained from the exchange-hole dipole moment (XDM) model. Without a dispersion correction, the rate constants are consistently underestimated; the errors increase with system size, up to 10(6) s(-1) for the largest system considered. Dispersion interactions preferentially stabilize the transition states relative to the separated reactants and bring the DFT-calculated rate constants into excellent agreement with experiment. Thus, dispersion interactions are found to play a key role in determining the kinetics for addition reactions, particularly those involving sterically bulky functional groups.

  3. Pairwise additivity in the nuclear magnetic resonance interactions of atomic xenon.

    PubMed

    Hanni, Matti; Lantto, Perttu; Vaara, Juha

    2009-04-14

    Nuclear magnetic resonance (NMR) of atomic (129/131)Xe is used as a versatile probe of the structure and dynamics of various host materials, due to the sensitivity of the Xe NMR parameters to intermolecular interactions. The principles governing this sensitivity can be investigated using the prototypic system of interacting Xe atoms. In the pairwise additive approximation (PAA), the binary NMR chemical shift, nuclear quadrupole coupling (NQC), and spin-rotation (SR) curves for the xenon dimer are utilized for fast and efficient evaluation of the corresponding NMR tensors in small xenon clusters Xe(n) (n = 2-12). If accurate, the preparametrized PAA enables the analysis of the NMR properties of xenon clusters, condensed xenon phases, and xenon gas without having to resort to electronic structure calculations of instantaneous configurations for n > 2. The binary parameters for Xe(2) at different internuclear distances were obtained at the nonrelativistic Hartree-Fock level of theory. Quantum-chemical (QC) calculations at the corresponding level were used to obtain the NMR parameters of the Xe(n) (n = 2-12) clusters at the equilibrium geometries. Comparison of PAA and QC data indicates that the direct use of the binary property curves of Xe(2) can be expected to be well-suited for the analysis of Xe NMR in the gaseous phase dominated by binary collisions. For use in condensed phases where many-body effects should be considered, effective binary property functions were fitted using the principal components of QC tensors from Xe(n) clusters. Particularly, the chemical shift in Xe(n) is strikingly well-described by the effective PAA. The coordination number Z of the Xe site is found to be the most important factor determining the chemical shift, with the largest shifts being found for high-symmetry sites with the largest Z. This is rationalized in terms of the density of virtual electronic states available for response to magnetic perturbations.

  4. Effect of model selection on combustor performance and stability using ROCCID. [Rocket Combustor Interactive Design

    NASA Technical Reports Server (NTRS)

    Giuliani, James E.; Klem, Mark D.

    1992-01-01

    The ROCket Combustor Interactive Design (ROCCID) methodology is an interactive computer program that combines previously developed combustion analysis models to calculate the combustion performance and stability of liquid rocket engines. Test data from a 213 kN (48,000 lbf) Liquid Oxygen (LOX)/RP-1 combustor with a O-F-O (oxidizer-fuel-oxidizer) triplet injector were used to characterize the predictive capabilities of the ROCCID analysis models for this injector/propellant configuration. Thirteen combustion performance and stability models have been incorporated into ROCCID, and ten of them, which have options for triplet injectors, were examined in this study. Calculations using different combinations of analysis models, with little or no anchoring, were carried out on a test matrix of operating conditions matching those of the test program. Results of the computer analyses were compared to test data, and the ability of the model combinations to correctly predict combustion stability or instability was determined. For the best model combination(s), sensitivity of the calculations to fuel drop size and mixing efficiency was examined. Error in the stability calculations due to uncertainty in the pressure interaction index (N) was examined. The recommended model combinations for this O-F-O triplet LOX/RP-1 configuration are proposed.

  5. Perturbation of the Stability of Amyloid Fibrils through Alteration of Electrostatic Interactions

    PubMed Central

    Shammas, Sarah L.; Knowles, Tuomas P.J.; Baldwin, Andrew J.; MacPhee, Cait E.; Welland, Mark E.; Dobson, Christopher M.; Devlin, Glyn L.

    2011-01-01

    The self-assembly of proteins and peptides into polymeric amyloid fibrils is a process that has important implications ranging from the understanding of protein misfolding disorders to the discovery of novel nanobiomaterials. In this study, we probe the stability of fibrils prepared at pH 2.0 and composed of the protein insulin by manipulating electrostatic interactions within the fibril architecture. We demonstrate that strong electrostatic repulsion is sufficient to disrupt the hydrogen-bonded, cross-β network that links insulin molecules and ultimately results in fibril dissociation. The extent of this dissociation correlates well with predictions for colloidal models considering the net global charge of the polypeptide chain, although the kinetics of the process is regulated by the charge state of a single amino acid. We found the fibrils to be maximally stable under their formation conditions. Partial disruption of the cross-β network under conditions where the fibrils remain intact leads to a reduction in their stability. Together, these results support the contention that a major determinant of amyloid stability stems from the interactions in the structured core, and show how the control of electrostatic interactions can be used to characterize the factors that modulate fibril stability. PMID:21641324

  6. Interactions between cocoa flavanols and inorganic nitrate: additive effects on endothelial function at achievable dietary amounts.

    PubMed

    Rodriguez-Mateos, Ana; Hezel, Michael; Aydin, Hilal; Kelm, Malte; Lundberg, Jon O; Weitzberg, Eddie; Spencer, Jeremy P E; Heiss, Christian

    2015-03-01

    Dietary intervention studies have shown that flavanols and inorganic nitrate can improve vascular function, suggesting that these two bioactives may be responsible for beneficial health effects of diets rich in fruits and vegetables. We aimed to study interactions between cocoa flavanols (CF) and nitrate, focusing on absorption, bioavailability, excretion, and efficacy to increase endothelial function. In a double-blind randomized, dose-response crossover study, flow-mediated dilation (FMD) was measured in 15 healthy subjects before and at 1, 2, 3, and 4 h after consumption of CF (1.4-10.9 mg/kg bw) or nitrate (0.1-10 mg/kg bw). To study flavanol-nitrate interactions, an additional intervention trial was performed with nitrate and CF taken in sequence at low and high amounts. FMD was measured before (0 h) and at 1h after ingestion of nitrate (3 or 8.5 mg/kg bw) or water. Then subjects received a CF drink (2.7 or 10.9 mg/kg bw) or a micro- and macronutrient-matched CF-free drink. FMD was measured at 1, 2, and 4 h thereafter. Blood and urine samples were collected and assessed for CF and nitric oxide (NO) metabolites with HPLC and gas-phase reductive chemiluminescence. Finally, intragastric formation of NO after CF and nitrate consumption was investigated. Both CF and nitrate induced similar intake-dependent increases in FMD. Maximal values were achieved at 1 h postingestion and gradually decreased to reach baseline values at 4 h. These effects were additive at low intake levels, whereas CF did not further increase FMD after high nitrate intake. Nitrate did not affect flavanol absorption, bioavailability, or excretion, but CF enhanced nitrate-related gastric NO formation and attenuated the increase in plasma nitrite after nitrate intake. Both flavanols and inorganic nitrate can improve endothelial function in healthy subjects at intake amounts that are achievable with a normal diet. Even low dietary intake of these bioactives may exert relevant effects on endothelial

  7. Centaurin-α₂ interacts with β-tubulin and stabilizes microtubules.

    PubMed

    Zuccotti, Paola; Cartelli, Daniele; Stroppi, Michela; Pandini, Vittorio; Venturin, Marco; Aliverti, Alessandro; Battaglioli, Elena; Cappelletti, Graziella; Riva, Paola

    2012-01-01

    Centaurin-α₂ is a GTPase-activating protein for ARF (ARFGAP) showing a diffuse cytoplasmic localization capable to translocate to membrane, where it binds phosphatidylinositols. Taking into account that Centaurin-α₂ can localize in cytoplasm and that its cytoplasmatic function is not well defined, we searched for further interactors by yeast two-hybrid assay to investigate its biological function. We identified a further Centaurin-α₂ interacting protein, β-Tubulin, by yeast two-hybrid assay. The interaction, involving the C-terminal region of β-Tubulin, has been confirmed by coimmunoprecipitation experiments. After Centaurin-α₂ overexpression in HeLa cells and extraction of soluble (αβ dimers) and insoluble (microtubules) fractions of Tubulin, we observed that Centaurin-α₂ mainly interacts with the polymerized Tubulin fraction, besides colocalizing with microtubules (MTs) in cytoplasm accordingly. Even following the depolimerizing Tubulin treatments Centaurin-α₂ remains mainly associated to nocodazole- and cold-resistant MTs. We found an increase of MT stability in transfected HeLa cells, evaluating as marker of stability the level of MT acetylation. In vitro assays using purified Centaurin-α₂ and tubulin confirmed that Centaurin-α₂ promotes tubulin assembly and increases microtubule stability. The biological effect of Centaurin-α₂ overexpression, assessed through the detection of an increased number of mitotic HeLa cells with bipolar spindles and with the correct number of centrosomes in both dividing and not dividing cells, is consistent with the Centaurin-α₂ role on MT stabilization. Centaurin-α₂ interacts with β-Tubulin and it mainly associates to MTs, resistant to destabilizing agents, in vitro and in cell. We propose Centaurin-α₂ as a new microtubule-associated protein (MAP) increasing MT stability.

  8. Quantitation of protein–protein interactions by thermal stability shift analysis

    PubMed Central

    Layton, Curtis J; Hellinga, Homme W

    2011-01-01

    Thermal stability shift analysis is a powerful method for examining binding interactions in proteins. We demonstrate that under certain circumstances, protein–protein interactions can be quantitated by monitoring shifts in thermal stability using thermodynamic models and data analysis methods presented in this work. This method relies on the determination of protein stabilities from thermal unfolding experiments using fluorescent dyes such as SYPRO Orange that report on protein denaturation. Data collection is rapid and straightforward using readily available real-time polymerase chain reaction instrumentation. We present an approach for the analysis of the unfolding transitions corresponding to each partner to extract the affinity of the interaction between the proteins. This method does not require the construction of a titration series that brackets the dissociation constant. In thermal shift experiments, protein stability data are obtained at different temperatures according to the affinity- and concentration-dependent shifts in unfolding transition midpoints. Treatment of the temperature dependence of affinity is, therefore, intrinsic to this method and is developed in this study. We used the interaction between maltose-binding protein (MBP) and a thermostable synthetic ankyrin repeat protein (Off7) as an experimental test case because their unfolding transitions overlap minimally. We found that MBP is significantly stabilized by Off7. High experimental throughput is enabled by sample parallelization, and the ability to extract quantitative binding information at a single partner concentration. In a single experiment, we were able to quantify the affinities of a series of alanine mutants, covering a wide range of affinities (∼ 100 nM to ∼ 100 μM). PMID:21674662

  9. Functional solid additive modified PEDOT:PSS as an anode buffer layer for enhanced photovoltaic performance and stability in polymer solar cells

    PubMed Central

    Xu, Binrui; Gopalan, Sai-Anand; Gopalan, Anantha-Iyengar; Muthuchamy, Nallal; Lee, Kwang-Pill; Lee, Jae-Sung; Jiang, Yu; Lee, Sang-Won; Kim, Sae-Wan; Kim, Ju-Seong; Jeong, Hyun-Min; Kwon, Jin-Beon; Bae, Jin-Hyuk; Kang, Shin-Won

    2017-01-01

    Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is most commonly used as an anode buffer layer in bulk-heterojunction (BHJ) polymer solar cells (PSCs). However, its hygroscopic and acidic nature contributes to the insufficient electrical conductivity, air stability and restricted photovoltaic (PV) performance for the fabricated PSCs. In this study, a new multifunctional additive, 2,3-dihydroxypyridine (DOH), has been used in the PEDOT: PSS buffer layer to obtain modified properties for PEDOT: PSS@DOH and achieve high PV performances. The electrical conductivity of PEDOT:PSS@DOH films was markedly improved compared with that of PEDOT:PSS. The PEDOT:PSS@DOH film exhibited excellent optical characteristics, appropriate work function alignment, and good surface properties in BHJ-PSCs. When a poly(3-hexylthiohpene):[6,6]-phenyl C61-butyric acid methyl ester blend system was applied as the photoactive layer, the power conversion efficiency of the resulting PSCs with PEDOT:PSS@DOH(1.0%) reached 3.49%, outperforming pristine PEDOT:PSS, exhibiting a power conversion enhancement of 20%. The device fabricated using PEDOT:PSS@DOH (1.0 wt%) also exhibited improved thermal and air stability. Our results also confirm that DOH, a basic pyridine derivative, facilitates adequate hydrogen bonding interactions with the sulfonic acid groups of PSS, induces the conformational transformation of PEDOT chains and contributes to the phase separation between PEDOT and PSS chains. PMID:28338088

  10. Functional solid additive modified PEDOT:PSS as an anode buffer layer for enhanced photovoltaic performance and stability in polymer solar cells

    NASA Astrophysics Data System (ADS)

    Xu, Binrui; Gopalan, Sai-Anand; Gopalan, Anantha-Iyengar; Muthuchamy, Nallal; Lee, Kwang-Pill; Lee, Jae-Sung; Jiang, Yu; Lee, Sang-Won; Kim, Sae-Wan; Kim, Ju-Seong; Jeong, Hyun-Min; Kwon, Jin-Beon; Bae, Jin-Hyuk; Kang, Shin-Won

    2017-03-01

    Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is most commonly used as an anode buffer layer in bulk-heterojunction (BHJ) polymer solar cells (PSCs). However, its hygroscopic and acidic nature contributes to the insufficient electrical conductivity, air stability and restricted photovoltaic (PV) performance for the fabricated PSCs. In this study, a new multifunctional additive, 2,3-dihydroxypyridine (DOH), has been used in the PEDOT: PSS buffer layer to obtain modified properties for PEDOT: PSS@DOH and achieve high PV performances. The electrical conductivity of PEDOT:PSS@DOH films was markedly improved compared with that of PEDOT:PSS. The PEDOT:PSS@DOH film exhibited excellent optical characteristics, appropriate work function alignment, and good surface properties in BHJ-PSCs. When a poly(3-hexylthiohpene):[6,6]-phenyl C61-butyric acid methyl ester blend system was applied as the photoactive layer, the power conversion efficiency of the resulting PSCs with PEDOT:PSS@DOH(1.0%) reached 3.49%, outperforming pristine PEDOT:PSS, exhibiting a power conversion enhancement of 20%. The device fabricated using PEDOT:PSS@DOH (1.0 wt%) also exhibited improved thermal and air stability. Our results also confirm that DOH, a basic pyridine derivative, facilitates adequate hydrogen bonding interactions with the sulfonic acid groups of PSS, induces the conformational transformation of PEDOT chains and contributes to the phase separation between PEDOT and PSS chains.

  11. Functional solid additive modified PEDOT:PSS as an anode buffer layer for enhanced photovoltaic performance and stability in polymer solar cells.

    PubMed

    Xu, Binrui; Gopalan, Sai-Anand; Gopalan, Anantha-Iyengar; Muthuchamy, Nallal; Lee, Kwang-Pill; Lee, Jae-Sung; Jiang, Yu; Lee, Sang-Won; Kim, Sae-Wan; Kim, Ju-Seong; Jeong, Hyun-Min; Kwon, Jin-Beon; Bae, Jin-Hyuk; Kang, Shin-Won

    2017-03-24

    Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is most commonly used as an anode buffer layer in bulk-heterojunction (BHJ) polymer solar cells (PSCs). However, its hygroscopic and acidic nature contributes to the insufficient electrical conductivity, air stability and restricted photovoltaic (PV) performance for the fabricated PSCs. In this study, a new multifunctional additive, 2,3-dihydroxypyridine (DOH), has been used in the PEDOT: PSS buffer layer to obtain modified properties for PEDOT: PSS@DOH and achieve high PV performances. The electrical conductivity of PEDOT:PSS@DOH films was markedly improved compared with that of PEDOT:PSS. The PEDOT:PSS@DOH film exhibited excellent optical characteristics, appropriate work function alignment, and good surface properties in BHJ-PSCs. When a poly(3-hexylthiohpene):[6,6]-phenyl C61-butyric acid methyl ester blend system was applied as the photoactive layer, the power conversion efficiency of the resulting PSCs with PEDOT:PSS@DOH(1.0%) reached 3.49%, outperforming pristine PEDOT:PSS, exhibiting a power conversion enhancement of 20%. The device fabricated using PEDOT:PSS@DOH (1.0 wt%) also exhibited improved thermal and air stability. Our results also confirm that DOH, a basic pyridine derivative, facilitates adequate hydrogen bonding interactions with the sulfonic acid groups of PSS, induces the conformational transformation of PEDOT chains and contributes to the phase separation between PEDOT and PSS chains.

  12. Silicon addition to hydroxyapatite increases nanoscale electrostatic, van der Waals, and adhesive interactions.

    PubMed

    Vandiver, Jennifer; Dean, Delphine; Patel, Nelesh; Botelho, Claudia; Best, Serena; Santos, José D; Lopes, Maria A; Bonfield, William; Ortiz, Christine

    2006-08-01

    The normal intersurface forces between nanosized probe tips functionalized with COO(-)-terminated alkanethiol self-assembling monolayers and dense, polycrystalline silicon-substituted synthetic hydroxyapatite (SiHA) and phase pure hydroxyapatite (HA) were measured via a nanomechanical technique called chemically specific high-resolution force spectroscopy. A significantly larger van der Waals interaction was observed for the SiHA compared to HA; Hamaker constants (A) were found to be A(SiHA) = 35 +/- 27 zJ and A(HA) = 13 +/- 12 zJ. Using the Derjaguin-Landau-Verwey-Overbeek approximation, which assumes linear additivity of the electrostatic double layer and van der Waals components, and the nonlinear Poisson-Boltzmann surface charge model for electrostatic double-layer forces, the surface charge per unit area, sigma (C/m(2)), was calculated as a function of position for specific nanosized areas within individual grains. SiHA was observed to be more negatively charged than HA with sigma(SiHA) = -0.024 +/- 0.013 C/m(2), two times greater than sigma(HA) = -0.011 +/- 0.006 C/m(2). Additionally, SiHA was found to have increased surface adhesion (0.7 +/- 0.3 nN) compared to HA (0.5 +/- 0.3 nN). The characterization of the nanoscale variations in surface forces of SiHA and HA will enable an improved understanding of the initial stages of bone-biomaterial bonding.

  13. The Stability and Formation of Native Proteins from Unfolded Monomers Is Increased through Interactions with Unrelated Proteins

    PubMed Central

    Rodríguez-Almazán, Claudia; Torner, Francisco J.; Costas, Miguel; Pérez-Montfort, Ruy; de Gómez-Puyou, Marieta Tuena; Puyou, Armando Gómez

    2007-01-01

    The intracellular concentration of protein may be as high as 400 mg per ml; thus it seems inevitable that within the cell, numerous protein-protein contacts are constantly occurring. A basic biochemical principle states that the equilibrium of an association reaction can be shifted by ligand binding. This indicates that if within the cell many protein-protein interactions are indeed taking place, some fundamental characteristics of proteins would necessarily differ from those observed in traditional biochemical systems. Accordingly, we measured the effect of eight different proteins on the formation of homodimeric triosephosphate isomerase from Trypanosoma brucei (TbTIM) from guanidinium chloride unfolded monomers. The eight proteins at concentrations of micrograms per ml induced an important increase on active dimer formation. Studies on the mechanism of this phenomenon showed that the proteins stabilize the dimeric structure of TbTIM, and that this is the driving force that promotes the formation of active dimers. Similar data were obtained with TIM from three other species. The heat changes that occur when TbTIM is mixed with lysozyme were determined by isothermal titration calorimetry; the results provided direct evidence of the weak interaction between apparently unrelated proteins. The data, therefore, are strongly suggestive that the numerous protein-protein interactions that occur in the intracellular space are an additional control factor in the formation and stability of proteins. PMID:17551578

  14. Role of protein interactions in defining HIV-1 viral capsid shape and stability: a coarse-grained analysis.

    PubMed

    Krishna, Vinod; Ayton, Gary S; Voth, Gregory A

    2010-01-06

    Coarse-grained models of the HIV-1 CA dimer are constructed based on all-atom molecular dynamics simulations. Coarse-grained representations of the capsid shell, which is composed of approximately 1500 copies of CA proteins, are constructed and their stability is examined. A key interaction between carboxyl and hexameric amino terminal domains is shown to generate the curvature of the capsid shell. It is demonstrated that variation of the strength of this interaction for different subunits in the lattice can cause formation of asymmetric, conical-shaped closed capsid shells, and it is proposed that variations, in the structure of the additional carboxyl-amino terminal binding interface during self-assembly, are important aspects of capsid cone formation. These results are in agreement with recent structural studies of the capsid hexamer subunit, which suggest that variability in the binding interface is a cause of the differences in subunit environments that exist in a conical structure.

  15. Role of Protein Interactions in Defining HIV-1 Viral Capsid Shape and Stability: A Coarse-Grained Analysis

    PubMed Central

    Krishna, Vinod; Ayton, Gary S.; Voth, Gregory A.

    2010-01-01

    Abstract Coarse-grained models of the HIV-1 CA dimer are constructed based on all-atom molecular dynamics simulations. Coarse-grained representations of the capsid shell, which is composed of ∼1500 copies of CA proteins, are constructed and their stability is examined. A key interaction between carboxyl and hexameric amino terminal domains is shown to generate the curvature of the capsid shell. It is demonstrated that variation of the strength of this interaction for different subunits in the lattice can cause formation of asymmetric, conical-shaped closed capsid shells, and it is proposed that variations, in the structure of the additional carboxyl-amino terminal binding interface during self-assembly, are important aspects of capsid cone formation. These results are in agreement with recent structural studies of the capsid hexamer subunit, which suggest that variability in the binding interface is a cause of the differences in subunit environments that exist in a conical structure. PMID:20085716

  16. Protein stability in mixed solvents: a balance of contact interaction and excluded volume.

    PubMed

    Schellman, John A

    2003-07-01

    Changes in excluded volume and contact interaction with the surface of a protein have been suggested as mechanisms for the changes in stability induced by cosolvents. The aim of the present paper is to present an analysis that combines both effects in a quantitative manner. The result is that both processes are present in both stabilizing and destabilizing interactions and neither can be ignored. Excluded volume was estimated using accessible surface area calculations of the kind introduced by Lee and Richards. The change in excluded volume on unfolding, deltaX, is quite large. For example, deltaX for ribonuclease is 6.7 L in urea and approximately 16 L in sucrose. The latter number is greater than the molar volume of the protein. Direct interaction with the protein is represented as the solvent exchange mechanism, which differs from ordinary association theory because of the weakness of the interaction and the high concentrations of cosolvents. The balance between the two effects and their contribution to overall stability are most simply presented as bar diagrams as in Fig. 3. Our finding for five proteins is that excluded volume contributes to the stabilization of the native structure and that contact interaction contributes to destabilization. This is true for five proteins and four cosolvents including both denaturants and osmolytes. Whether a substance stabilizes a protein or destabilizes it depends on the relative size of these two contributions. The constant for the cosolvent contact with the protein is remarkably uniform for four of the proteins, indicating a similarity of groups exposed during unfolding. One protein, staphylococcus nuclease, is anomalous in almost all respects. In general, the strength of the interaction with guanidinium is about twice that of urea, which is about twice that of trimethylamine-N-oxide and sucrose. Arguments are presented for the use of volume fractions in equilibrium equations and the ignoring of activity coefficients of

  17. Effects of the matrix and intramolecular interactions on the stability of the higher-energy conformers of 2-fluorobenzoic acid

    NASA Astrophysics Data System (ADS)

    Kuş, Nihal; Fausto, Rui

    2017-03-01

    DFT(B3LYP)/6-311++G(d,p) calculations on 2-fluorobenzoic acid (2FBA) show that the molecule has four conformers: two low energy conformers (forms I and II) with the carboxylic acid group assuming the cis configuration (O=C—O—H dihedral equal to 0°) and two higher-energy conformers (III, IV) with a trans carboxylic group configuration. Isolation of 2FBA monomers in argon or nitrogen matrices allows for the efficient trapping of both low-energy conformers. Narrowband selective near-IR (NIR) excitation of the 2νOH mode of I in both argon and N2 matrices leads to its efficient conversion into conformer III, which is stabilized by an intramolecular O—H...F interaction. On the other hand, upon identical selective vibrational excitation of II no changes could be noticed in the argon matrix spectra, while experiments carried out on N2 matrices showed conversion of II into III. In conformer IV (the expected direct product resulting from NIR excitation of II), the stabilizing O—H...F interaction existing in III is replaced by an O—H...H repulsive interaction, which leads to a barrier separating this form from II that is about one third of that separating III from I. Under these circumstances, once formed by vibrational excitation of II, conformer IV can easily convert to the reactant species by fast tunneling, justifying the apparent inefficiency of the II → IV conversion upon vibrational excitation of II in an argon matrix. On the other hand, the stabilization of the initially formed conformer IV by the N2 matrix (due to OH...N2 interactions) allows this species to survive long enough to allow the IV → III over-the-barrier conversion to be competitive with the IV → II tunneling, justifying the observed net conversion of the NIR excited conformer II into form III in N2 matrix. These results demonstrate as the intramolecular local topology may decisively influence the intrinsic kinetic stability of different conformers of the same molecule. They are also a

  18. TRF2 Protein Interacts with Core Histones to Stabilize Chromosome Ends*

    PubMed Central

    Izumi, Takashi; Shimizu, Shigeomi

    2016-01-01

    Mammalian chromosome ends are protected by a specialized nucleoprotein complex called telomeres. Both shelterin, a telomere-specific multi-protein complex, and higher order telomeric chromatin structures combine to stabilize the chromosome ends. Here, we showed that TRF2, a component of shelterin, binds to core histones to protect chromosome ends from inappropriate DNA damage response and loss of telomeric DNA. The N-terminal Gly/Arg-rich domain (GAR domain) of TRF2 directly binds to the globular domain of core histones. The conserved arginine residues in the GAR domain of TRF2 are required for this interaction. A TRF2 mutant with these arginine residues substituted by alanine lost the ability to protect telomeres and induced rapid telomere shortening caused by the cleavage of a loop structure of the telomeric chromatin. These findings showed a previously unnoticed interaction between the shelterin complex and nucleosomal histones to stabilize the chromosome ends. PMID:27514743

  19. 'Trophic whales' as biotic buffers: weak interactions stabilize ecosystems against nutrient enrichment.

    PubMed

    Schwarzmüller, Florian; Eisenhauer, Nico; Brose, Ulrich

    2015-05-01

    Human activities may compromise biodiversity if external stressors such as nutrient enrichment endanger overall network stability by inducing unstable dynamics. However, some ecosystems maintain relatively high diversity levels despite experiencing continuing disturbances. This indicates that some intrinsic properties prevent unstable dynamics and resulting extinctions. Identifying these 'ecosystem buffers' is crucial for our understanding of the stability of ecosystems and an important tool for environmental and conservation biologists. In this vein, weak interactions have been suggested as stabilizing elements of complex systems, but their relevance has rarely been tested experimentally. Here, using network and allometric theory, we present a novel concept for a priori identification of species that buffer against externally induced instability of increased population oscillations via weak interactions. We tested our model in a microcosm experiment using a soil food-web motif. Our results show that large-bodied species feeding at the food web's base, so called 'trophic whales', can buffer ecosystems against unstable dynamics induced by nutrient enrichment. Similar to the functionality of chemical or mechanical buffers, they serve as 'biotic buffers' that take up stressor effects and thus protect fragile systems from instability. We discuss trophic whales as common functional building blocks across ecosystems. Considering increasing stressor effects under anthropogenic global change, conservation of these network-intrinsic biotic buffers may help maintain the stability and diversity of natural ecosystems.

  20. Stability analysis of predator-prey model on the case of aerosol-cloud-precipitation interactions

    NASA Astrophysics Data System (ADS)

    Sulistyowati, Rita; Kurniadi, Rizal; Srigutomo, Wahyu

    2015-09-01

    A preliminary study has been performed on the analysis of the stability of predator-prey models in the case of aerosol-cloud-precipitation interactions which initiated by Koren-Feingold. The model consists of two coupled non- linear differential equations describing the development of a population of cloud drop concentration and cloud depth for precipitation. Stability analysis of the models was conducted to understand the stability behavior of systems interactions. In this paper, the analysis focused on the model without delay. The first step was done by determining the equilibrium point of the model equations which yielded 1 non-trivial equilibrium point and 4 trivial equilibrium point. Nontrivial equilibrium point (0,0) associated with the steady state or the absence of precipitation while the non-trivial equilibrium point shows the oscillation behavior in the formation of precipitation. The next step is linearizing the equation around the equilibrium point and calculating of eigenvalues of Jacobian matrix. Evaluation of the eigen values of characteristic equation determined the type of stability. There are saddle node, star point, unstable node, stable node and center. The results of numerical computations was simulated in the form of phase portrait to support the theoretical calculation. Phase portraits show the characteristic of populations growth of cloud depth and drop cloud. In the next research, this analysis will compared to delay model to determine the effect of time delay on the equilibrium point of the system.

  1. Stability analysis of predator-prey model on the case of aerosol-cloud-precipitation interactions

    NASA Astrophysics Data System (ADS)

    Sulistyowati, Rita; Kurniadi, Rizal; Srigutomo, Wahyu

    2015-09-01

    A preliminary study has been performed on the analysis of the stability of predator-prey models in the case of aerosol-cloud-precipitation interactions which initiated by Koren-Feingold. The model consists of two coupled non-linear differential equations describing the development of a population of cloud drop concentration and cloud depth for precipitation. Stability analysis of the models was conducted to understand the stability behavior of systems interactions. In this paper, the analysis focused on the model without delay. The first step was done by determining the equilibrium point of the model equations which yielded 1 non-trivial equilibrium point and 4 trivial equilibrium point. Nontrivial equilibrium point (0,0) associated with the steady state or the absence of precipitation while the non-trivial equilibrium point shows the oscillation behavior in the formation of precipitation. The next step is linearizing the equation around the equilibrium point and calculating of eigenvalues of Jacobian matrix. Evaluation of the eigen values of characteristic equation determined the type of stability. There are saddle node, star point, unstable node, stable node and center. The results of numerical computations was simulated in the form of phase portrait to support the theoretical calculation. Phase portraits show the characteristic of populations growth of cloud depth and drop cloud. In the next research, this analysis will compared to delay model to determine the effect of time delay on the equilibrium point of the system.

  2. Trophic interactions and the relationship between species diversity and ecosystem stability.

    PubMed

    Thébault, Elisa; Loreau, Michel

    2005-10-01

    Several theoretical studies propose that biodiversity buffers ecosystem functioning against environmental fluctuations, but virtually all of these studies concern a single trophic level, the primary producers. Changes in biodiversity also affect ecosystem processes through trophic interactions. Therefore, it is important to understand how trophic interactions affect the relationship between biodiversity and the stability of ecosystem processes. Here we present two models to investigate this issue in ecosystems with two trophic levels. The first is an analytically tractable symmetrical plant-herbivore model under random environmental fluctuations, while the second is a mechanistic ecosystem model under periodic environmental fluctuations. Our analysis shows that when diversity affects net species interaction strength, species interactions--both competition among plants and plant-herbivore interactions--have a strong impact on the relationships between diversity and the temporal variability of total biomass of the various trophic levels. More intense plant competition leads to a stronger decrease or a lower increase in variability of total plant biomass, but plant-herbivore interactions always have a destabilizing effect on total plant biomass. Despite the complexity generated by trophic interactions, biodiversity should still act as biological insurance for ecosystem processes, except when mean trophic interaction strength increases strongly with diversity.

  3. Triethanolamine Stabilization of Methotrexate-β-Cyclodextrin Interactions in Ternary Complexes

    PubMed Central

    Barbosa, Jahamunna A. A.; Zoppi, Ariana; Quevedo, Mario A.; de Melo, Polyanne N.; de Medeiros, Arthur S. A.; Streck, Letícia; de Oliveira, Alice R.; Fernandes-Pedrosa, Matheus F.; Longhi, Marcela R.; da Silva-Júnior, Arnóbio A.

    2014-01-01

    The interaction of methotrexate (MTX) with beta-cyclodextrin (β-CD) in the presence of triethanolamine (TEA) was investigated with the aim to elucidate the mechanism whereby self-assembly cyclodextrin systems work in association with this third component. Solubility diagram studies showed synergic increment of the MTX solubility to be about thirty-fold. Experiments using 2D ROESY and molecular modeling studies revealed the inclusion of aromatic ring III of the drug into β-CD cavity, in which TEA contributes by intensifying MTX interaction with β-CD and stabilizes MTX:β-CD:TEA ternary complex by electrostatic interaction. The maintenance of these interactions in solid phase was also studied in ternary MTX:β-CD:TEA and comparisons were made with freeze dried binary MTX:β-CD and physical mixtures. FTIR studies evidenced that MTX–β-CD interaction remained in solid ternary complexes, which was also supported by thermal (differential scanning calorimetry (DSC), thermogravimetric analysis (TG)/first derivative of TG analysis (DTG) and C,N,H elementary analysis) and structural (X-ray diffraction analysis, (XRD)) studies, mainly regarding the increment of drug stability. The efficient in vitro drug dissolution studies successfully demonstrated the contribution of ternary complexes, which highlights the importance of this possible new raw material for further applications in drug delivery systems. PMID:25257529

  4. Talin-KANK1 interaction controls the recruitment of cortical microtubule stabilizing complexes to focal adhesions

    PubMed Central

    Bouchet, Benjamin P; Gough, Rosemarie E; Ammon, York-Christoph; van de Willige, Dieudonnée; Post, Harm; Jacquemet, Guillaume; Altelaar, AF Maarten; Heck, Albert JR; Goult, Benjamin T; Akhmanova, Anna

    2016-01-01

    The cross-talk between dynamic microtubules and integrin-based adhesions to the extracellular matrix plays a crucial role in cell polarity and migration. Microtubules regulate the turnover of adhesion sites, and, in turn, focal adhesions promote the cortical microtubule capture and stabilization in their vicinity, but the underlying mechanism is unknown. Here, we show that cortical microtubule stabilization sites containing CLASPs, KIF21A, LL5β and liprins are recruited to focal adhesions by the adaptor protein KANK1, which directly interacts with the major adhesion component, talin. Structural studies showed that the conserved KN domain in KANK1 binds to the talin rod domain R7. Perturbation of this interaction, including a single point mutation in talin, which disrupts KANK1 binding but not the talin function in adhesion, abrogates the association of microtubule-stabilizing complexes with focal adhesions. We propose that the talin-KANK1 interaction links the two macromolecular assemblies that control cortical attachment of actin fibers and microtubules. DOI: http://dx.doi.org/10.7554/eLife.18124.001 PMID:27410476

  5. Persistent Currents and Addition Spectrum in Strongly Interacting Chaotic Quantum Dots

    NASA Astrophysics Data System (ADS)

    Herman, Damir; Mathur, H.; Murthy, Ganpathy

    2003-03-01

    Murthy and Shankar(Ganpathy Murthy, R. Shankar, Quantum Dots with Disorder and Interactions: A Solvable Large-g Limit), family cond-mat/0209136 have introduced a non-perturbative approach to analyzing the effects of interaction and randomness in chaotic quantum dots in the limit of large Thouless number. Using this framework we study two experimentally observable quantities in the strongly interacting regime. First we compare the Coulomb blockade peak spacing distribution in the strong coupling regime to the distribution in the weak coupling regime (described by the ``universal Hamiltonian''). Second we study persistent currents in mesoscopic rings in the regime of strong interaction.

  6. Fetal bovine serum influences the stability and bioactivity of resveratrol analogues: A polyphenol-protein interaction approach.

    PubMed

    Tang, Fen; Xie, Yixi; Cao, Hui; Yang, Hua; Chen, Xiaoqing; Xiao, Jianbo

    2017-03-15

    Fetal bovine serum (FBS) is a universal growth supplement of cell and tissue culture media. Herein, the influences of FBS on the stability and antioxidant activity of 21 resveratrol analogues were investigated using a polyphenol-protein interaction approach. The structure-stability relationships of resveratrol analogues in FBS showed a clear decrease in the stability of hydroxylated resveratrol analogues in the order: resorcinol-type>pyrogallol-type>catechol-type. The glycosylation and methoxylation of resveratrol analogues enhanced their stability. A linear relationship between the stability of resveratrol analogues in FBS and the affinity of resveratrol analogues-FBS interaction was found. The oxidation process is not the only factor governing the stability of resveratrol analogues in FBS. These results facilitated the insightful investigation of the role of polyphenol-protein interactions in serum, thereby providing some fundamental clues for future clinical research and pharmacological studies on natural small molecules.

  7. Improving cyclic stability of lithium nickel manganese oxide cathode at elevated temperature by using dimethyl phenylphosphonite as electrolyte additive

    NASA Astrophysics Data System (ADS)

    Mai, Shaowei; Xu, Mengqing; Liao, Xiaolin; Xing, Lidan; Li, Weishan

    2015-01-01

    A novel electrolyte additive, dimethyl phenylphosphonite (DMPP), is reported in this paper to be able to improve significantly the cyclic stability of LiNi0.5Mn1.5O4 cathode of high voltage lithium ion battery at elevated temperature. When experiencing charge/discharge cycling at 50 °C with 1C (1C = 146.7 mAh g-1) rate in a standard (STD) electrolyte (1.0 M LiPF6 in ethylene carbonate (EC)/dimethyl carbonate (DMC), EC/DMC = 1/2 in volume), LiNi0.5Mn1.5O4 suffers serious discharge capacity decaying, with a capacity retention of 42% after 100 cycles. With adding 0.5% DMPP into the STD electrolyte, the capacity retention is increased to 91%. This improvement can be ascribed to the preferential oxidation of DMPP to the STD electrolyte and the subsequent formation of a protective film on LiNi0.5Mn1.5O4, which suppresses the electrolyte decomposition and protects LiNi0.5Mn1.5O4 from destruction. Theoretical calculations together with voltammetric analyses demonstrate the preferential oxidation of DMPP and the consequent suppression of electrolyte decomposition, while the observations from scanning electron microscopy, X-ray photoelectronic spectroscopy and Fourier transform infrared spectroscopy confirm the protection that DMPP provides for LiNi0.5Mn1.5O4.

  8. Stability of maternal discipline practices and the quality of mother-child interaction during toddlerhood.

    PubMed

    Huang, Keng-Yen; Caughy, Margaret O'Brien; Lee, Li-Ching; Miller, Therese; Genevro, Janice

    2009-07-01

    This study examined the stability of maternal punitive/high-power discipline (PD) and inductive/authoritative discipline (ID) over the second and third years of life and the effect of maternal discipline on quality of mother-child interactions. Data from a longitudinal sample with 179 mother-toddler dyads were analyzed, and selected factors (i.e., child sex, temperament) that might moderate the association between maternal discipline and quality of mother-child interactions were also examined. Maternal discipline, quality of mother-child interactions, and temperamental moderators were measured at 16-18 months (Time 1) and 34-37 months (Time 2). Results showed that the stability of maternal use of discipline strategies over the toddler years was moderate. Lower maternal use of PD, higher maternal use of ID, and higher preference/reliance on ID (relative to PD) were associated with higher quality of mother-child interactions. Moderation effects of child temperament were also found. High ID and PD were associated with low quality of mother-child relationships in non-temperamentally difficult children but not in temperamentally difficult children.

  9. Membrane protein stability can be compromised by detergent interactions with the extramembranous soluble domains

    PubMed Central

    Yang, Zhengrong; Wang, Chi; Zhou, Qingxian; An, Jianli; Hildebrandt, Ellen; Aleksandrov, Luba A; Kappes, John C; DeLucas, Lawrence J; Riordan, John R; Urbatsch, Ina L; Hunt, John F; Brouillette, Christie G

    2014-01-01

    Detergent interaction with extramembranous soluble domains (ESDs) is not commonly considered an important determinant of integral membrane protein (IMP) behavior during purification and crystallization, even though ESDs contribute to the stability of many IMPs. Here we demonstrate that some generally nondenaturing detergents critically destabilize a model ESD, the first nucleotide-binding domain (NBD1) from the human cystic fibrosis transmembrane conductance regulator (CFTR), a model IMP. Notably, the detergents show equivalent trends in their influence on the stability of isolated NBD1 and full-length CFTR. We used differential scanning calorimetry (DSC) and circular dichroism (CD) spectroscopy to monitor changes in NBD1 stability and secondary structure, respectively, during titration with a series of detergents. Their effective harshness in these assays mirrors that widely accepted for their interaction with IMPs, i.e., anionic > zwitterionic > nonionic. It is noteworthy that including lipids or nonionic detergents is shown to mitigate detergent harshness, as will limiting contact time. We infer three thermodynamic mechanisms from the observed thermal destabilization by monomer or micelle: (i) binding to the unfolded state with no change in the native structure (all detergent classes); (ii) native state binding that alters thermodynamic properties and perhaps conformation (nonionic detergents); and (iii) detergent binding that directly leads to denaturation of the native state (anionic and zwitterionic). These results demonstrate that the accepted model for the harshness of detergents applies to their interaction with an ESD. It is concluded that destabilization of extramembranous soluble domains by specific detergents will influence the stability of some IMPs during purification. PMID:24652590

  10. Membrane protein stability can be compromised by detergent interactions with the extramembranous soluble domains.

    PubMed

    Yang, Zhengrong; Wang, Chi; Zhou, Qingxian; An, Jianli; Hildebrandt, Ellen; Aleksandrov, Luba A; Kappes, John C; DeLucas, Lawrence J; Riordan, John R; Urbatsch, Ina L; Hunt, John F; Brouillette, Christie G

    2014-06-01

    Detergent interaction with extramembranous soluble domains (ESDs) is not commonly considered an important determinant of integral membrane protein (IMP) behavior during purification and crystallization, even though ESDs contribute to the stability of many IMPs. Here we demonstrate that some generally nondenaturing detergents critically destabilize a model ESD, the first nucleotide-binding domain (NBD1) from the human cystic fibrosis transmembrane conductance regulator (CFTR), a model IMP. Notably, the detergents show equivalent trends in their influence on the stability of isolated NBD1 and full-length CFTR. We used differential scanning calorimetry (DSC) and circular dichroism (CD) spectroscopy to monitor changes in NBD1 stability and secondary structure, respectively, during titration with a series of detergents. Their effective harshness in these assays mirrors that widely accepted for their interaction with IMPs, i.e., anionic > zwitterionic > nonionic. It is noteworthy that including lipids or nonionic detergents is shown to mitigate detergent harshness, as will limiting contact time. We infer three thermodynamic mechanisms from the observed thermal destabilization by monomer or micelle: (i) binding to the unfolded state with no change in the native structure (all detergent classes); (ii) native state binding that alters thermodynamic properties and perhaps conformation (nonionic detergents); and (iii) detergent binding that directly leads to denaturation of the native state (anionic and zwitterionic). These results demonstrate that the accepted model for the harshness of detergents applies to their interaction with an ESD. It is concluded that destabilization of extramembranous soluble domains by specific detergents will influence the stability of some IMPs during purification.

  11. Investigations of stabilizing additives. I. A model system for studying radical scavenging activity in solution. [Gamma radiation

    SciTech Connect

    Dunn, T.S.; Williams, E.E.; Williams, J.L.

    1982-06-01

    In the current study an electron spin resonance model was developed to compare the thermal stability and radical scavenging activity of stabilizers in solution. High-resolution spectra and the influence of molecular structure on radical stability provided a basis for the interpretation of spin concentration data in the model system. A correlation was established between the radical scavenging activity measured in the model system and actual behavior in irradiated polypropylene formulations measured by radiation-induced degradation of mechanical properties.

  12. The effect of intertube van der Waals interaction on the stability of pristine and functionalized carbon nanotubes under compression.

    PubMed

    Kuang, Y D; Shi, S Q; Chan, P K L; Chen, C Y

    2010-03-26

    This paper investigates the effect of intertube van der Waals interaction on the stability of pristine and covalently functionalized carbon nanotubes under axial compression, using molecular mechanics simulations. After regulating the number of inner layers of the armchair four-walled (5, 5)@(10, 10)@(15, 15)@(20, 20) and zigzag four-walled (6, 0)@(15, 0)@(24, 0)@(33, 0) carbon nanotubes, the critical buckling strains of the corresponding tubes are calculated. The results show that each of the three inner layers in the functionalized armchair nanotube noticeably contributes to the stability of the outermost tube, and together increase the critical strain amplitude by 155%. However, the three inner layers in the corresponding pristine nanotube, taken together, increase the critical strain of the outermost tube by only 23%. In addition, for both the pristine and functionalized zigzag nanotubes, only the (24, 0) layer, among the three inner layers, contributes to the critical strain of the corresponding outermost tube, by 11% and 29%, respectively. The underlying mechanism of the enhanced stability related to nanotube chirality and functionalization is analyzed in detail.

  13. Effect of shock interactions on the attitude stability of a toroidal ballute for reentry vehicles

    NASA Astrophysics Data System (ADS)

    Otsu, Hirotaka; Abe, Takashi

    2016-11-01

    The effect of shock interactions on the attitude stability of a reentry vehicle system with a toroidal ballute was investigated. The hypersonic wind tunnel experimental results showed that when the shock interaction occurred near or outside the ballute, an unstable oscillation of the ballute was observed. This was caused by the local high-pressure region on the ballute surface created by the shock interaction between the shock from the reentry capsule and the shock from the ballute. To avoid this unstable oscillation, the radius of the ballute should be designed to be large enough so that the shock from the capsule will be located inside the ballute, which can avoid the local high-pressure region on the ballute surface.

  14. Titanate nanotube thin films with enhanced thermal stability and high-transparency prepared from additive-free sols

    SciTech Connect

    Koroesi, Laszlo; Papp, Szilvia; Hornok, Viktoria; Oszko, Albert; Petrik, Peter; Patko, Daniel; Horvath, Robert; Dekany, Imre

    2012-08-15

    Titanate nanotubes were synthesized from TiO{sub 2} in alkaline medium by a conventional hydrothermal method (150 Degree-Sign C, 4.7 bar). To obtain hydrogen titanates, the as-prepared sodium titanates were treated with either HCl or H{sub 3}PO{sub 4} aqueous solutions. A simple synthesis procedure was devised for stable titanate nanotube sols without using any additives. These highly stable ethanolic sols can readily be used to prepare transparent titanate nanotube thin films of high quality. The resulting samples were studied by X-ray diffraction, N{sub 2}-sorption measurements, Raman spectroscopy, transmission and scanning electron microscopy, X-ray photoelectron spectroscopy and spectroscopic ellipsometry. The comparative results of using two kinds of acids shed light on the superior thermal stability of the H{sub 3}PO{sub 4}-treated titanate nanotubes (P-TNTs). X-ray photoelectron spectroscopy revealed that P-TNTs contains P in the near-surface region and the thermal stability was enhanced even at a low ({approx}0.5 at%) concentration of P. After calcination at 500 Degree-Sign C, the specific surface areas of the HCl- and H{sub 3}PO{sub 4}-treated samples were 153 and 244 m{sup 2} g{sup -1}, respectively. The effects of H{sub 3}PO{sub 4} treatment on the structure, morphology and porosity of titanate nanotubes are discussed. - Graphical Abstract: TEM picture (left) shows P-TNTs with diameters about 5-6 nm. Inset shows a stable titanate nanotube sol illuminated by a 532 nm laser beam. Due to the presence of the nanoparticles the way of the light is visible in the sol. Cross sectional SEM picture (right) as well as ellipsometry revealed the formation of optical quality P-TNT films with thicknesses below 50 nm. Highlights: Black-Right-Pointing-Pointer H{sub 3}PO{sub 4} treatment led to TNTs with high surface area even after calcination at 500 Degree-Sign C. Black-Right-Pointing-Pointer H{sub 3}PO{sub 4}-treated TNTs preserved their nanotube morphology up to 500

  15. Fire induced changes in aggregate stability: the interacting effects of soil heating and ash leachate

    NASA Astrophysics Data System (ADS)

    Balfour, V.; Hatley, D.; Woods, S.

    2011-12-01

    Increases in runoff and erosion after wildfires are typically attributed to the combined effects of the loss of ground cover, water repellency and surface sealing. Surface sealing in burned areas is caused by raindrop compaction of mineral soils (structural seal formation), the clogging of soil pores by fine soil and ash, or the formation of low conductivity ash crusts (depositional seal formation). Structural sealing is more likely to occur if the fire reduces the aggregate stability of the mineral soil. Soil heating tends to reduce aggregate stability by combusting soil organic matter. Effects due to soil heating may be amplified or reduced by interactions between soil clays and ash leachate, but these effects are poorly understood. We are investigating the interacting effects of soil heating and exposure to ash leachate on the stability of soil aggregates in burned areas. During the 2011 fire season in the Rocky Mountains we collected soil samples (~1000g) from unburned areas adjacent to three recent wildfires. Soils were obtained from areas with sharply contrasting parent materials, leading to differences in the soil mineralogy. High severity ash was collected from within the burned areas. Each soil sample was divided into 6 subsamples with the first subsample acting as a control. The remaining five subsamples were heated to 100, 200, 300, 500, and 700C respectively. After heating, each subsample was split in two. Ash leachate was added to one half and DI water was added to the other half. The ash leachate was prepared by mixing 10 g of ash with 1000 mL of water in accordance with previous studies. All samples were then air dried and analyzed for porosity, bulk density, aggregate size distribution, aggregate stability and water repellency. Initial results suggest that there is an interacting effect of soil heating and exposure to ash leachate on the stability of soil aggregates, but the effect varies depending on the mineralogy of soil clays and the type of

  16. Probing Bio-Nano Interactions between Blood Proteins and Monolayer-Stabilized Graphene Sheets.

    PubMed

    Gan, Shiyu; Zhong, Lijie; Han, Dongxue; Niu, Li; Chi, Qijin

    2015-11-18

    Meeting proteins is regarded as the starting event for nanostructures to enter biological systems. Understanding their interactions is thus essential for a newly emerging field, nanomedicine. Chemically converted graphene (CCG) is a wonderful two-dimensional (2D) material for nanomedicine, but its stability in biological environments is limited. Systematic probing on the binding of proteins to CCG is currently lacking. Herein, we report a comprehensive study on the interactions between blood proteins and stabilized CCG (sCCG). CCG nanosheets are functionalized by monolayers of perylene leading to significant improvement in their resistance to electrolyte salts and long-term stability, but retain their core structural characteristics. Five types of model human blood proteins including human fibrinogen, γ-globulin, bovine serum albumin (BSA), insulin, and histone are tested. The main driving forces for blood protein binding involve the π-π interacations between the π-plane of sCCG and surface aromatic amonic acid (sAA) residues of proteins. Several key binding parameters including the binding amount, Hill coefficient, and binding constant are determined. Through a detailed analysis of key controlling factors, we conclude that the protein binding to sCCG is determined mainly by the protein size, the number, and the density of the sAA.

  17. Gold nanoparticle assemblies stabilized by bis(phthalocyaninato)lanthanide(III) complexes through van der Waals interactions

    PubMed Central

    Noda, Yuki; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi

    2014-01-01

    Gold nanoparticle assemblies possess diverse application potential, ranging from industrial nanotechnology to medical biotechnology. Because the structures and properties of assemblies are directly affected by the stabilization mechanism between the organic molecules serving as protecting ligands and the gold nanoparticle surface, it is crucial to find and investigate new stabilization mechanisms. Here, we report that π-conjugated phthalocyanine rings can serve as stabilizing ligands for gold nanoparticles. Bis(phthalocyaninato)lutetium(III) (LuPc2) or bis(phthalocyaninato)terbium(III) (TbPc2), even though complex, do not have specific binding units and stabilize gold nanoparticles through van der Waals interaction between parallel adsorbed phthalocyanine ligands and the gold nanoparticle surface. AC magnetic measurements and the electron-transport properties of the assemblies give direct evidence that the phthalocyanines are isolated from each other. Each nanoparticle shows weak electronic coupling despite the short internanoparticle distance (~1 nm), suggesting Efros–Shklovskii-type variable-range hopping and collective single-electron tunnelling behaviours. PMID:24441566

  18. Gold nanoparticle assemblies stabilized by bis(phthalocyaninato)lanthanide(III) complexes through van der Waals interactions

    NASA Astrophysics Data System (ADS)

    Noda, Yuki; Noro, Shin-Ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi

    2014-01-01

    Gold nanoparticle assemblies possess diverse application potential, ranging from industrial nanotechnology to medical biotechnology. Because the structures and properties of assemblies are directly affected by the stabilization mechanism between the organic molecules serving as protecting ligands and the gold nanoparticle surface, it is crucial to find and investigate new stabilization mechanisms. Here, we report that π-conjugated phthalocyanine rings can serve as stabilizing ligands for gold nanoparticles. Bis(phthalocyaninato)lutetium(III) (LuPc2) or bis(phthalocyaninato)terbium(III) (TbPc2), even though complex, do not have specific binding units and stabilize gold nanoparticles through van der Waals interaction between parallel adsorbed phthalocyanine ligands and the gold nanoparticle surface. AC magnetic measurements and the electron-transport properties of the assemblies give direct evidence that the phthalocyanines are isolated from each other. Each nanoparticle shows weak electronic coupling despite the short internanoparticle distance (~1 nm), suggesting Efros-Shklovskii-type variable-range hopping and collective single-electron tunnelling behaviours.

  19. Skyrmion bubble stability in thin films with strong Dzyaloshinskii-Moriya interaction

    NASA Astrophysics Data System (ADS)

    Caretta, Lucas; Bauer, Uwe; Churikova, Alexandra; Mann, Maxwell; Beach, Geoffrey

    The Dzyaloshinskii-Moriya interaction (DMI) at heavy-metal/FM interfaces stabilizes chiral spin textures, such as magnetic skyrmions. Magnetic skyrmions are applicable to energy efficient spintronics. However, room temperature stability of skyrmion bubbles (SBs) has not been quantified experimentally. We show when the ratio of the DMI effective field to the perpendicular anisotropy field is large, expanding bubble domains leave behind fine-scale dendritic structure, consisting of coupled 360 degree domain walls (DW). Dendritic structures are manipulated to form stable SBs. We imaged SBs in Pt(3nm)/Co(0.9nm)/Gd(1nm)/GdOx(30nm) films using Kerr microscopy to characterize the stability of SBs. We show that the field stability of SBs is a strong function of the applied in-plane field. Increasing in-plane field reduces the annihilation threshold of the skyrmions. The SB annihilation field becomes deterministic at in-plane fields near the DMI effective field. Simulations show Bloch points are formed in the SB DW at high in-plane fields, leading to the deterministic collapse of the bubbles.

  20. Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes.

    PubMed

    Torres, Ana M; Scheiner, Steve; Roy, Ajit K; Garay-Tapia, Andrés M; Bustamante, John; Kar, Tapas

    2016-08-05

    This investigation explores a new protocol, named Segmentation and Additive approach (SAA), to study exohedral noncovalent functionalization of single-walled carbon nanotubes with large molecules, such as polymers and biomolecules, by segmenting the entire system into smaller units to reduce computational cost. A key criterion of the segmentation process is the preservation of the molecular structure responsible for stabilization of the entire system in smaller segments. Noncovalent interaction of linoleic acid (LA, C18 H32 O2 ), a fatty acid, at the surface of a (10,0) zigzag nanotube is considered for test purposes. Three smaller segmented models have been created from the full (10,0)-LA system and interaction energies were calculated for these models and compared with the full system at different levels of theory, namely ωB97XD, LDA. The success of this SAA is confirmed as the sum of the interaction energies is in very good agreement with the total interaction energy. Besides reducing computational cost, another merit of SAA is an estimation of the contributions from different sections of the large system to the total interaction energy which can be studied in-depth using a higher level of theory to estimate several properties of each segment. On the negative side, bulk properties, such as HOMO-LUMO (highest occupied molecular orbital - lowest occupied molecular orbital) gap, of the entire system cannot be estimated by adding results from segment models. © 2016 Wiley Periodicals, Inc.

  1. Multi-spectroscopic and molecular modeling studies of bovine serum albumin interaction with sodium acetate food additive.

    PubMed

    Mohammadzadeh-Aghdash, Hossein; Ezzati Nazhad Dolatabadi, Jafar; Dehghan, Parvin; Panahi-Azar, Vahid; Barzegar, Abolfazl

    2017-08-01

    Sodium acetate (SA) has been used as a highly effective protectant in food industry and the possible effect of this additive on the binding to albumin should be taken into consideration. Therefore, for the first time, the mechanism of SA interaction with bovine serum albumin (BSA) has been investigated by multi-spectroscopic and molecular modeling methods under physiological conditions. Stern-Volmer fluorescence quenching analysis showed an increase in the fluorescence intensity of BSA upon increasing the amounts of SA. The high affinity of SA to BSA was demonstrated by a binding constant value (1.09×10(3) at 310°K). The thermodynamic parameters indicated that hydrophobic binding plays a main role in the binding of SA to Albumin. Furthermore, the results of UV-vis spectra confirmed the interaction of this additive to BSA. In addition, molecular modeling study demonstrated that A binding sites of BSA play the main role in the interaction with acetate.

  2. ceRNA crosstalk stabilizes protein expression and affects the correlation pattern of interacting proteins.

    PubMed

    Martirosyan, Araks; De Martino, Andrea; Pagnani, Andrea; Marinari, Enzo

    2017-03-07

    Gene expression is a noisy process and several mechanisms, both transcriptional and post-transcriptional, can stabilize protein levels in cells. Much work has focused on the role of miRNAs, showing in particular that miRNA-mediated regulation can buffer expression noise for lowly expressed genes. Here, using in silico simulations and mathematical modeling, we demonstrate that miRNAs can exert a much broader influence on protein levels by orchestrating competition-induced crosstalk between mRNAs. Most notably, we find that miRNA-mediated cross-talk (i) can stabilize protein levels across the full range of gene expression rates, and (ii) modifies the correlation pattern of co-regulated interacting proteins, changing the sign of correlations from negative to positive. The latter feature may constitute a potentially robust signature of the existence of RNA crosstalk induced by endogenous competition for miRNAs in standard cellular conditions.

  3. ceRNA crosstalk stabilizes protein expression and affects the correlation pattern of interacting proteins

    PubMed Central

    Martirosyan, Araks; De Martino, Andrea; Pagnani, Andrea; Marinari, Enzo

    2017-01-01

    Gene expression is a noisy process and several mechanisms, both transcriptional and post-transcriptional, can stabilize protein levels in cells. Much work has focused on the role of miRNAs, showing in particular that miRNA-mediated regulation can buffer expression noise for lowly expressed genes. Here, using in silico simulations and mathematical modeling, we demonstrate that miRNAs can exert a much broader influence on protein levels by orchestrating competition-induced crosstalk between mRNAs. Most notably, we find that miRNA-mediated cross-talk (i) can stabilize protein levels across the full range of gene expression rates, and (ii) modifies the correlation pattern of co-regulated interacting proteins, changing the sign of correlations from negative to positive. The latter feature may constitute a potentially robust signature of the existence of RNA crosstalk induced by endogenous competition for miRNAs in standard cellular conditions. PMID:28266541

  4. Thermodynamic and Structural Properties of Methanol-Water Solutions Using Non-Additive Interaction Models

    PubMed Central

    Zhong, Yang; Warren, G. Lee; Patel, Sandeep

    2014-01-01

    We study bulk structural and thermodynamic properties of methanol-water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level. The study uses the TIP4P-FQ potential for water-water interactions, and the CHARMM-based (Chemistry at HARvard Molecular Mechanics) fluctuating charge potential for methanol-methanol and methanol-water interactions. In terms of bulk solution properties, we discuss liquid densities, enthalpies of mixing, dielectric constants, self-diffusion constants, as well as structural properties related to local hydrogen bonding structure as manifested in radial distribution functions and cluster analysis. We further explore the electronic response of water and methanol in the differing local environments established by the interaction of each species predominantly with molecules of the other species. The current force field for the alcohol-water interaction performs reasonably well for most properties, with the greatest deviation from experiment observed for the excess mixing enthalpies, which are predicted to be too favorable. This is qualitatively consistent with the overestimation of the methanol-water gas-phase interaction energy for the lowest-energy conformer (methanol as proton donor). Hydration free energies for methanol in TIP4P-FQ water are predicted to be −5.6±0.2 kcal/mole, in respectable agreement with the experimental value of −5.1 kcal/mole. With respect to solution micro-structure, the present cluster analysis suggests that the micro-scale environment for concentrations where select thermodynamic quantities reach extremal values is described by a bi-percolating network structure. PMID:18074339

  5. Reduction of indicator and pathogenic microorganisms in pig manure through fly ash and lime addition during alkaline stabilization.

    PubMed

    Wong, Jonathan W C; Selvam, Ammaiyappan

    2009-09-30

    A pilot scale study was conducted to evaluate the effect of lime and alkaline coal fly ash (CFA) on the reduction of pathogens in pig manure during alkaline stabilization and suppression of re-growth during post-stabilization incubation. Pig manure was mixed with CFA at 25%, 33% and 50%, and a control without fly ash was maintained. To these manure-ash mixtures, lime was added at the rate of 2% or 4% and incubated for 8 days. During the incubation, the population of Salmonella, fecal coliforms, Escherichia coli, fecal Streptococcus and total bacteria were enumerated. After the alkaline stabilization process, the mixtures were incubated under green house condition to evaluate the re-growth of pathogens. During the 8-day alkaline stabilization, Salmonella, fecal coliforms, E. coli and fecal Streptococcus were completely devitalized in manure-ash-lime mixtures, whereas in the control, incubation reduced the pathogen and total bacterial population by 2-3 logs. Fecal streptococcus was destructed within 4 days of alkaline stabilization, whereas other pathogens needed 8 days for their destruction. During the incubation in green house, an increase in the population of the pathogens and total bacteria was observed. Results indicate that alkaline stabilization of pig manure with lime at 4% and CFA at 50% is effective in devitalizing the pathogens and reducing the post-stabilization re-growth.

  6. RUNX3 inhibits hypoxia-inducible factor-1α protein stability by interacting with prolyl hydroxylases in gastric cancer cells.

    PubMed

    Lee, S H; Bae, S C; Kim, K W; Lee, Y M

    2014-03-13

    RUNX3 is silenced by histone modification and hypoxia-inducible factor (HIF)-1α is stabilized under hypoxia, but little is known of cross-talk between RUNX3 and HIF-1α under hypoxia. In the present study, the authors investigated the effect of RUNX3 on HIF-1α stability in gastric cancer cells. RUNX3 overexpression was found to downregulate HIF-1α stability under normoxic and hypoxic conditions. Furthermore, the activity of a luciferase reporter containing five copies of vascular endothelial growth factor (VEGF) promoter hypoxia-responsive element (5 × HRE) and the amount of secreted VEGF, were diminished in RUNX3-expressing but increased in RUNX3-knockdown cells. When expression of RUNX3 was recovered using epigenetic reagents the expressions of HIF-1α and VEGF were clearly suppressed under hypoxic conditions. RUNX3 also significantly attenuated the half-life of HIF-1α protein, and induced the cytosolic localization and ubiquitination of HIF-1α. In addition, RUNX3 directly interacted with the C-terminal activation domain of HIF-1α and prolyl hydroxylase (PHD) 2 and enhanced the interaction between HIF-1α and PHD2, which potentiated proline hydroxylation and promoted the degradation of HIF-1α. Furthermore, RUNX3 overexpression significantly inhibited hypoxia-induced angiogenesis in vitro and in vivo. Taken together, these results suggest that RUNX3 destabilizes HIF-1α protein by promoting the proline hydroxylation of HIF-1α through binding to HIF-1α/PHD2. RUNX3 appears to be a novel suppressor of HIF-1α and of hypoxia-mediated angiogenesis in gastric cancer cells.

  7. A novel assay to probe heparin-peptide interactions using pentapeptide-stabilized gold nanoparticles.

    PubMed

    Jeong, Kyung Jae; Butterfield, Karen; Panitch, Alyssa

    2008-08-19

    In this article, we present a novel assay to probe the interactions between heparin and heparin-binding peptides based on CALNN pentapeptide-stabilized gold nanoparticles. This assay relies on rapid aggregation of gold nanoparticles and dramatic retardation in the presence of a large excess of heparin due to the binding of peptides to heparin. Using this method, the dissociation constant ( K d) and melting temperature ( T m) of three different peptides against heparin were determined. The results from capillary electrophoresis demonstrated that K d values measured by this method were comparatively accurate. It was found that the peptide with the lowest K d did not have the highest T m. Structural analysis by circular dichroism was performed to explain this phenomenon. A comparison with the results from affinity chromatography indicates that electrostatic interactions only are not the major determinant of the affinity between heparin and peptide, but other interactions such as hydrogen-bonding and hydrophobic interactions may play important roles in the overall interactions. This novel assay is inexpensive, label-free, and easy to implement in the laboratories, does not suffer precipitation of the heparin-peptide complex or their conformational changes caused by surface immobilization, and is expected to be a useful complement to other existing methods.

  8. Inverse gene-for-gene interactions contribute additively to tan spot susceptibility in wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Tan spot of wheat, caused by Pyrenophora tritici-repentis, is an important disease in almost all wheat-growing areas of the world. The disease system is known to involve at least three fungal-produced necrotrophic effectors (NEs) that interact with corresponding host sensitivity (S) genes in an inv...

  9. Microtubule Dynamics Interacting with Stabilizing Agents in a Cell-like Environment

    NASA Astrophysics Data System (ADS)

    Shojania Feizabadi, Mitra

    2010-03-01

    Microtubules, key components of the cytoskeleton, are involved in several biological functions. They are highly dynamic polymers that stochastically switch between growing and shrinking phases. Due to their critical role in the process of cell division, they are the target of anti-cancer drugs. Antimitotic drugs usually suppress the dynamic instability of microtubules and, therefore, affect the process of cell division. In this work, the dynamic of microtubules interacting with catastrophe suppressing drugs as stabilizing agents, introduced by Mishra et al. (Phys. Rev. E. 72, 51914, 2005), is modified in a confined geometry and associated with the obtained and analyzed steady state solutions.

  10. Different responses of alpine plants to nitrogen addition: effects on plant-plant interactions

    PubMed Central

    Wang, Jun; Luo, Peng; Yang, Hao; Mou, Chengxiang; Mo, Li

    2016-01-01

    The different responses of plant species to resource stress are keys to understand the dynamics of plant community in a changing environment. To test the hypothesis that nitrogen (N) increase would benefit N competitive species, rather than N stress-tolerant species, to compete with neighbours, we conducted an experiment with neighbour removal, N addition and soil moisture as treatments in an alpine grassland on the southeastern Tibetan Plateau. Both growths and competitive-response abilities (CRA, the ability to tolerate the inhibitory effects of neighbors) of Kobresia macrantha, Polygonum viviparum and Potentilla anserine in wet site were facilitated by N addition, conversely, both growths and CRA of Taraxacum mongolicum and Ligularia virgaurea were suppressed by N addition, indicating that the responses of CRA of target species under N addition were consistent with the N utilization strategies of them. Moreover, the facilitative effects of N addition on competitive-response abilities of Kobresia macrantha and Polygonum viviparum were not found at the dry site, illustrating that soil moisture can alter the changes of neighbour effects caused by N addition. Life strategy of dominant species in plant community on the undisturbed southeastern Tibetan Plateau may shift from N stress-tolerant to N competitive, if the N increases continuously. PMID:27922131

  11. Phase Segregation and Dynamics in Strongly Interacting Small Molecule Additive - Block Copolymer Surfactant Complexes

    NASA Astrophysics Data System (ADS)

    Kothari, Rohit; Khalil, Ahmed; Henning Winter, H.; Watkins, James J.

    2012-02-01

    Rheology and Small Angle X-Ray Scattering (SAXS) were used to investigate order to disorder transitions (ODTs) and disorder to order transitions (DOTs) of poly(ethyleneoxide-b-propyleneoxide-b-ethyleneoxide) block copolymer surfactants mixed with hydrogen-bond-donating small molecule additives. A series of additives having a core benzene ring and systematic variation in the number of carboxylic or hydroxyl groups attached to the ring were of particular interest. Ordered cylindrical morphologies, confirmed using SAXS, were obtained only in a certain additive concentration region. ODTs were characterized by sudden changes in the linear viscoelastic properties in low frequency region upon increasing temperature. The locations of ODTs varied widely with hydrogen-bond-donating ability of the functional group and were found to be strongly dependent on the number of functional groups attached to the ring. For a given additive, the temperature at which ODT occur was strong function of the additive loading, whereas the linear viscoelastic properties of the ordered state were little changed upon varying additive concentration in ordered region. The location and dynamics of DOTs upon cooling were comparable to the ODTs upon heating. Studies using these model systems provide insight into the design of well-ordered hybrid materials.

  12. Rational stabilization of enzymes by computational redesign of surface charge-charge interactions.

    PubMed

    Gribenko, Alexey V; Patel, Mayank M; Liu, Jiajing; McCallum, Scott A; Wang, Chunyu; Makhatadze, George I

    2009-02-24

    Here, we report the application of a computational approach that allows the rational design of enzymes with enhanced thermostability while retaining full enzymatic activity. The approach is based on the optimization of the energy of charge-charge interactions on the protein surface. We experimentally tested the validity of the approach on 2 human enzymes, acylphosphatase (AcPh) and Cdc42 GTPase, that differ in size (98 vs. 198-aa residues, respectively) and tertiary structure. We show that the designed proteins are significantly more stable than the corresponding WT proteins. The increase in stability is not accompanied by significant changes in structure, oligomerization state, or, most importantly, activity of the designed AcPh or Cdc42. This success of the design methodology suggests that it can be universally applied to other enzymes, on its own or in combination with the other strategies based on redesign of the interactions in the protein core.

  13. DNA interaction studies of sesamol (3,4-methylenedioxyphenol) food additive.

    PubMed

    Kashanian, Soheila; Tahmasian Ghobadi, Ameneh; Roshanfekr, Hamideh; Shariati, Zohreh

    2013-02-01

    The interaction of native calf thymus DNA (CT-DNA) with sesamol (3,4-methylenedioxyphenol) in Tris-HCl buffer at neutral pH 7.4 was monitored by absorption spectrophotometry, viscometry and spectrofluorometry. It is found that sesamol molecules could interact with DNA outside and/or groove binding modes, as are evidenced by: hyperchromism in UV absorption band, very slow decrease in specific viscosity of DNA, and small increase in the fluorescence of methylene blue (MB)-DNA solutions in the presence of increasing amounts of sesamol, which indicates that it is able to partially release the bound MB. Furthermore, the enthalpy and entropy of the reaction between sesamol and CT-DNA showed that the reaction is enthalpy-favored and entropy-disfavored (ΔH = -174.08 kJ mol(-1); ΔS = -532.92 J mol(-1) K(-1)). The binding constant was determined using absorption measurement and found to be 2.7 × 10(4) M(-1); its magnitude suggests that sesamol interacts to DNA with a high affinity.

  14. Role of non-covalent and covalent interactions in cargo loading capacity and stability of polymeric micelles.

    PubMed

    Ke, Xiyu; Ng, Victor Wee Lin; Ono, Robert J; Chan, Julian M W; Krishnamurthy, Sangeetha; Wang, Ying; Hedrick, James L; Yang, Yi Yan

    2014-11-10

    Polymeric micelles self-assembled from biodegradable amphiphilic block copolymers have been proven to be effective drug delivery carriers that reduce the toxicity and enhance the therapeutic efficacy of free drugs. Several reviews have been reported in the literature to discuss the importance of size/size distribution, stability and drug loading capacity of polymeric micelles for successful in vivo drug delivery. This review is focused on non-covalent and covalent interactions that are employed to enhance cargo loading capacity and in vivo stability, and to achieve nanosize with narrow size distribution. In particular, this review analyzes various non-covalent and covalent interactions and chemistry applied to introduce these interactions to the micellar drug delivery systems, as well as the effects of these interactions on micelle stability, drug loading capacity and release kinetics. Moreover, the factors that influence these interactions and the future research directions of polymeric micelles are discussed.

  15. Rapid RNA-ligand interaction analysis through high-information content conformational and stability landscapes

    NASA Astrophysics Data System (ADS)

    Baird, Nathan J.; Inglese, James; Ferré-D'Amaré, Adrian R.

    2015-12-01

    The structure and biological properties of RNAs are a function of changing cellular conditions, but comprehensive, simultaneous investigation of the effect of multiple interacting environmental variables is not easily achieved. We have developed an efficient, high-throughput method to characterize RNA structure and thermodynamic stability as a function of multiplexed solution conditions using Förster resonance energy transfer (FRET). In a single FRET experiment using conventional quantitative PCR instrumentation, 19,400 conditions of MgCl2, ligand and temperature are analysed to generate detailed empirical conformational and stability landscapes of the cyclic diguanylate (c-di-GMP) riboswitch. The method allows rapid comparison of RNA structure modulation by cognate and non-cognate ligands. Landscape analysis reveals that kanamycin B stabilizes a non-native, idiosyncratic conformation of the riboswitch that inhibits c-di-GMP binding. This demonstrates that allosteric control of folding, rather than direct competition with cognate effectors, is a viable approach for pharmacologically targeting riboswitches and other structured RNA molecules.

  16. Rapid RNA-ligand interaction analysis through high-information content conformational and stability landscapes

    SciTech Connect

    Baird, Nathan J.; Inglese, James; Ferré-D’Amaré, Adrian R.

    2015-12-07

    The structure and biological properties of RNAs are a function of changing cellular conditions, but comprehensive, simultaneous investigation of the effect of multiple interacting environmental variables is not easily achieved. We have developed an efficient, high-throughput method to characterize RNA structure and thermodynamic stability as a function of multiplexed solution conditions using Förster resonance energy transfer (FRET). In a single FRET experiment using conventional quantitative PCR instrumentation, 19,400 conditions of MgCl2, ligand and temperature are analysed to generate detailed empirical conformational and stability landscapes of the cyclic diguanylate (c-di-GMP) riboswitch. This method allows rapid comparison of RNA structure modulation by cognate and non-cognate ligands. Landscape analysis reveals that kanamycin B stabilizes a non-native, idiosyncratic conformation of the riboswitch that inhibits c-di-GMP binding. Our research demonstrates that allosteric control of folding, rather than direct competition with cognate effectors, is a viable approach for pharmacologically targeting riboswitches and other structured RNA molecules.

  17. Rac1 functions as a reversible tension modulator to stabilize VE-cadherin trans-interaction

    PubMed Central

    Daneshjou, Nazila; Sieracki, Nathan; van Nieuw Amerongen, Geerten P.; Conway, Daniel E.; Schwartz, Martin A.

    2015-01-01

    The role of the RhoGTPase Rac1 in stabilizing mature endothelial adherens junctions (AJs) is not well understood. In this paper, using a photoactivatable probe to control Rac1 activity at AJs, we addressed the relationship between Rac1 and the dynamics of vascular endothelial cadherin (VE-cadherin). We demonstrated that Rac1 activation reduced the rate of VE-cadherin dissociation, leading to increased density of VE-cadherin at AJs. This response was coupled to a reduction in actomyosin-dependent tension across VE-cadherin adhesion sites. We observed that inhibiting myosin II directly or through photo-release of the caged Rho kinase inhibitor also reduced the rate of VE-cadherin dissociation. Thus, Rac1 functions by stabilizing VE-cadherin trans-dimers in mature AJs by counteracting the actomyosin tension. The results suggest a new model of VE-cadherin adhesive interaction mediated by Rac1-induced reduction of mechanical tension at AJs, resulting in the stabilization of VE-cadherin adhesions. PMID:25559184

  18. Learning and stabilization of winner-take-all dynamics through interacting excitatory and inhibitory plasticity

    PubMed Central

    Binas, Jonathan; Rutishauser, Ueli; Indiveri, Giacomo; Pfeiffer, Michael

    2014-01-01

    Winner-Take-All (WTA) networks are recurrently connected populations of excitatory and inhibitory neurons that represent promising candidate microcircuits for implementing cortical computation. WTAs can perform powerful computations, ranging from signal-restoration to state-dependent processing. However, such networks require fine-tuned connectivity parameters to keep the network dynamics within stable operating regimes. In this article, we show how such stability can emerge autonomously through an interaction of biologically plausible plasticity mechanisms that operate simultaneously on all excitatory and inhibitory synapses of the network. A weight-dependent plasticity rule is derived from the triplet spike-timing dependent plasticity model, and its stabilization properties in the mean-field case are analyzed using contraction theory. Our main result provides simple constraints on the plasticity rule parameters, rather than on the weights themselves, which guarantee stable WTA behavior. The plastic network we present is able to adapt to changing input conditions, and to dynamically adjust its gain, therefore exhibiting self-stabilization mechanisms that are crucial for maintaining stable operation in large networks of interconnected subunits. We show how distributed neural assemblies can adjust their parameters for stable WTA function autonomously while respecting anatomical constraints on neural wiring. PMID:25071538

  19. Thermodynamic method of calculating the effect of alloying additives on interphase interaction in composite materials

    NASA Technical Reports Server (NTRS)

    Tuchinsky, L. I.

    1986-01-01

    The effect of alloying additives to the matrix of a composite on the high temperature solubility rate of a single component fiber was analyzed thermodynamically. With an example of binary Ni alloys, with Group IV-VI transition metals reinforced with W fibers, agreement between the calculated and experimental data was demonstrated.

  20. De novo design of transmembrane helix-helix interactions and measurement of stability in a biological membrane.

    PubMed

    Nash, Anthony; Notman, Rebecca; Dixon, Ann M

    2015-05-01

    Membrane proteins regulate a large number of cellular functions, and have great potential as tools for manipulation of biological systems. Developing these tools requires a robust and quantitative understanding of membrane protein folding and interactions within the bilayer. With this in mind, we have designed a series of proteins to probe the net thermodynamic contribution of well-known sequence motifs to transmembrane helix-helix association in a biological membrane. The proteins were designed from first principles (de novo) using current knowledge about membrane insertion and stabilizing interaction motifs. A simple poly-Leu "scaffold" was decorated with individual helix interaction motifs (G-XXX-G, polar residues, heptad repeat) to create transmembrane helix-helix interactions of increasing strength. The GALLEX assay, an in vivo assay for measurement of transmembrane helix self-association, was combined with computational methods to characterize the relative strength and mode of interaction for each sequence. In addition, the apparent free energy contribution (ΔΔGapp) of each motif to transmembrane helix self-association was measured in a biological membrane, results that are the first of their kind for these de novo designed sequences, and suggest that the free energy barrier to overcoming weak association is quite small (<1.4 kcal mol(-1)) in a natural membrane. By quantifying and rationalizing the contribution of key motifs to transmembrane helix association, our work offers a route to direct the design of novel sequences for use in biotechnology or synthetic biology (e.g. molecular switches) and to predict the effects of sequence modification in known transmembrane domains (for control of cellular processes).

  1. Characterization of antibody-polyol interactions by static light scattering: implications for physical stability of protein formulations.

    PubMed

    Abbas, Shermeen A; Sharma, Vikas K; Patapoff, Thomas W; Kalonia, Devendra S

    2013-05-20

    In this study, the nature of interactions between monoclonal antibodies and polyols was studied using static light scattering. Solutions of mAb-U and mAb-P (4-12 mg/mL) were analyzed using static light scattering in buffer, 10% w/v trehalose and ethylene glycol solutions at pH 5.0, 7.0 and 9.0. Mechanical stress studies were conducted by shaking the mAb-U solutions (5mg/mL, pH 5.0, 7.0 and 9.0) and mAb-P solutions (5mg/mL, pH 7.0) at 200 rpm for 5 days at 25°C. Addition of trehalose and ethylene glycol resulted in a decrease in the attractive interactions between mAb-U molecules at pH 7.0 and 9.0, and at pH 9.0 between mAb-P molecules. At a higher ionic strength (300 mM, pH 5.0) trehalose and ethylene glycol decreased attractive interactions for both mAbs. Mechanical stress studies showed higher aggregation of mAb-U in trehalose solutions than ethylene glycol and buffer solutions at pH 7.0 and 9.0. A converse trend was seen for mAb-P at pH 7.0. This study showed that polyols, conformational stabilizers or destabilizers, decrease attractive interactions between protein molecules. The decrease is a result of masking of the hydrophobic sites on a protein as polyols can have favorable hydrophobic interactions with the surface exposed hydrophobic groups.

  2. The emotion potential of simple sentences: additive or interactive effects of nouns and adjectives?

    PubMed Central

    Lüdtke, Jana; Jacobs, Arthur M.

    2015-01-01

    The vast majority of studies on affective processes in reading focus on single words. The most robust finding is a processing advantage for positively valenced words, which has been replicated in the rare studies investigating effects of affective features of words during sentence or story comprehension. Here we were interested in how the different valences of words in a sentence influence its processing and supralexical affective evaluation. Using a sentence verification task we investigated how comprehension of simple declarative sentences containing a noun and an adjective depends on the valences of both words. The results are in line with the assumed general processing advantage for positive words. We also observed a clear interaction effect, as can be expected from the affective priming literature: sentences with emotionally congruent words (e.g., The grandpa is clever) were verified faster than sentences containing emotionally incongruent words (e.g., The grandpa is lonely). The priming effect was most prominent for sentences with positive words suggesting that both, early processing as well as later meaning integration and situation model construction, is modulated by affective processing. In a second rating task we investigated how the emotion potential of supralexical units depends on word valence. The simplest hypothesis predicts that the supralexical affective structure is a linear combination of the valences of the nouns and adjectives (Bestgen, 1994). Overall, our results do not support this: The observed clear interaction effect on ratings indicate that especially negative adjectives dominated supralexical evaluation, i.e., a sort of negativity bias in sentence evaluation. Future models of sentence processing thus should take interactive affective effects into account. PMID:26321975

  3. Stabilization of freeze-dried Lactobacillus paracasei subsp. paracasei JCM 8130(T) with the addition of disaccharides, polymers, and their mixtures.

    PubMed

    Teng, Da; Kawai, Kiyoshi; Mikajiri, Shuto; Hagura, Yoshio

    2017-04-01

    Although freeze-drying is a widely used dehydration technique for the stabilizing of unstable lactic acid bacteria, Lactobacillus paracasei subsp. paracasei JCM 8130(T) (L. paracasei) is destabilized after freeze-drying and subsequent storage. In order to improve the stability of freeze-dried L. paracasei, effects of disaccharides (sucrose and trehalose), polymers (maltodextrin; MD and bovine serum albumin; BSA), and their mixtures on the survival rate of freeze-dried L. paracasei were investigated. The survival rate of non-additive sample decreased slightly after freeze-drying but decreased drastically after subsequent storage at 37 °C for 4 weeks. The reduction was diminished by the addition of disaccharides and polymers. The stabilizing effect of disaccharides was not affected by the co-addition of MD. In contrast, the disaccharide-BSA mixtures had a synergistic stabilizing effect, and the survival rates were largely maintained even after storage. It is suggested that the synergistic effect originates from the conformational stabilization of the dehydrated bacteria.

  4. Addition of Amino Acids to Further Stabilize Lyophilized Sucrose-Based Protein Formulations: I. Screening of 15 Amino Acids in Two Model Proteins.

    PubMed

    Forney-Stevens, Kelly M; Bogner, Robin H; Pikal, Michael J

    2016-02-01

    In small amounts, the low molecular weight excipients-sorbitol and glycerol-have been shown to stabilize lyophilized sucrose-based protein formulations. The purpose of this study was to explore the use of amino acids as low molecular weight excipients to similarly enhance stability. Model proteins, recombinant human serum albumin and α-chymotrypsin, were formulated with sucrose in combination with one of 15 amino acid additives. Each formulation was lyophilized at 1:1:0.3 (w/w) protein-sucrose-amino acid. Percent total soluble aggregate was measured by size-exclusion chromatography before and after storage at 50 °C for 2 months. Classical thought might suggest that the addition of the amino acids to the sucrose-protein formulations would be destabilizing because of a decrease in the system's glass transition temperature. However, significant improvement in storage stability was observed for almost all formulations at the ratio of amino acid used. Weak correlations were found between the extent of stabilization and both amino acid molar volume and side-chain charge. The addition of amino acids at a modest level generally improves storage stability, often by more than a 50% increase, for lyophilized sucrose-based protein formulations.

  5. High operational and environmental stability of high-mobility conjugated polymer field-effect transistors through the use of molecular additives

    NASA Astrophysics Data System (ADS)

    Nikolka, Mark; Nasrallah, Iyad; Rose, Bradley; Ravva, Mahesh Kumar; Broch, Katharina; Sadhanala, Aditya; Harkin, David; Charmet, Jerome; Hurhangee, Michael; Brown, Adam; Illig, Steffen; Too, Patrick; Jongman, Jan; McCulloch, Iain; Bredas, Jean-Luc; Sirringhaus, Henning

    2016-12-01

    Due to their low-temperature processing properties and inherent mechanical flexibility, conjugated polymer field-effect transistors (FETs) are promising candidates for enabling flexible electronic circuits and displays. Much progress has been made on materials performance; however, there remain significant concerns about operational and environmental stability, particularly in the context of applications that require a very high level of threshold voltage stability, such as active-matrix addressing of organic light-emitting diode displays. Here, we investigate the physical mechanisms behind operational and environmental degradation of high-mobility, p-type polymer FETs and demonstrate an effective route to improve device stability. We show that water incorporated in nanometre-sized voids within the polymer microstructure is the key factor in charge trapping and device degradation. By inserting molecular additives that displace water from these voids, it is possible to increase the stability as well as uniformity to a high level sufficient for demanding industrial applications.

  6. High operational and environmental stability of high-mobility conjugated polymer field-effect transistors through the use of molecular additives.

    PubMed

    Nikolka, Mark; Nasrallah, Iyad; Rose, Bradley; Ravva, Mahesh Kumar; Broch, Katharina; Sadhanala, Aditya; Harkin, David; Charmet, Jerome; Hurhangee, Michael; Brown, Adam; Illig, Steffen; Too, Patrick; Jongman, Jan; McCulloch, Iain; Bredas, Jean-Luc; Sirringhaus, Henning

    2017-03-01

    Due to their low-temperature processing properties and inherent mechanical flexibility, conjugated polymer field-effect transistors (FETs) are promising candidates for enabling flexible electronic circuits and displays. Much progress has been made on materials performance; however, there remain significant concerns about operational and environmental stability, particularly in the context of applications that require a very high level of threshold voltage stability, such as active-matrix addressing of organic light-emitting diode displays. Here, we investigate the physical mechanisms behind operational and environmental degradation of high-mobility, p-type polymer FETs and demonstrate an effective route to improve device stability. We show that water incorporated in nanometre-sized voids within the polymer microstructure is the key factor in charge trapping and device degradation. By inserting molecular additives that displace water from these voids, it is possible to increase the stability as well as uniformity to a high level sufficient for demanding industrial applications.

  7. Sperm-specific glyceraldehyde-3-phosphate dehydrogenase is stabilized by additional proline residues and an interdomain salt bridge.

    PubMed

    Kuravsky, Mikhail; Barinova, Kseniya; Marakhovskaya, Aleksandra; Eldarov, Mikhail; Semenyuk, Pavel; Muronetz, Vladimir; Schmalhausen, Elena

    2014-10-01

    Sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) exhibits enhanced stability compared to the somatic isoenzyme (GAPD). A comparative analysis of the structures of these isoenzymes revealed characteristic features, which could be important for the stability of GAPDS: six specific proline residues and three buried salt bridges. To evaluate the impact of these structural elements into the stability of this isoenzyme, we obtained two series of mutant GAPDS: 1) six mutants each containing a substitution of one of the specific prolines by alanine, and 2) three mutants each containing a mutation breaking one of the salt bridges. Stability of the mutants was evaluated by differential scanning calorimetry and by their resistance towards guanidine hydrochloride (GdnHCl). The most effect on thermostability was observed for the mutants P326A and P164A: the Tm values of the heat-absorption curves decreased by 6.0 and 3.3°C compared to the wild type protein, respectively. The resistance towards GdnHCl was affected most by the mutation D311N breaking the salt bridge between the catalytic and NAD(+)-binding domains: the inactivation rate constant in the presence of GdnHCl increased six-fold, and the value of GdnHCl concentration corresponding to the protein half-denaturation decreased from 1.83 to 1.35M. Besides, the mutation D311N enhanced the enzymatic activity of the protein two-fold. The results suggest that the residues P164 (β-turn), P326 (first position of α-helix), and the interdomain salt bridge D311-H124 are significant for the enhanced stability of GAPDS. The salt bridge D311-H124 enhances stability of the active site of GAPDS at the expense of the catalytic activity.

  8. Effects of solute-solute interactions on protein stability studied using various counterions and dendrimers.

    PubMed

    Schneider, Curtiss P; Shukla, Diwakar; Trout, Bernhardt L

    2011-01-01

    Much work has been performed on understanding the effects of additives on protein thermodynamics and degradation kinetics, in particular addressing the Hofmeister series and other broad empirical phenomena. Little attention, however, has been paid to the effect of additive-additive interactions on proteins. Our group and others have recently shown that such interactions can actually govern protein events, such as aggregation. Here we use dendrimers, which have the advantage that both size and surface chemical groups can be changed and therein studied independently. Dendrimers are a relatively new and broad class of materials which have been demonstrated useful in biological and therapeutic applications, such as drug delivery, perturbing amyloid formation, etc. Guanidinium modified dendrimers pose an interesting case given that guanidinium can form multiple attractive hydrogen bonds with either a protein surface or other components in solution, such as hydrogen bond accepting counterions. Here we present a study which shows that the behavior of such macromolecule species (modified PAMAM dendrimers) is governed by intra-solvent interactions. Attractive guanidinium-anion interactions seem to cause clustering in solution, which inhibits cooperative binding to the protein surface but at the same time, significantly suppresses nonnative aggregation.

  9. The influence of additions of Al and Si on the lattice stability of fcc and hcp Fe-Mn random alloys.

    PubMed

    Gebhardt, T; Music, D; Ekholm, M; Abrikosov, I A; Vitos, L; Dick, A; Hickel, T; Neugebauer, J; Schneider, J M

    2011-06-22

    We have studied the influence of additions of Al and Si on the lattice stability of face-centred-cubic (fcc) versus hexagonal-closed-packed (hcp) Fe-Mn random alloys, considering the influence of magnetism below and above the fcc Néel temperature. Employing two different ab initio approaches with respect to basis sets and treatment of magnetic and chemical disorder, we are able to quantify the predictive power of the ab initio methods. We find that the addition of Al strongly stabilizes the fcc lattice independent of the regarded magnetic states. For Si a much stronger dependence on magnetism is observed. Compared to Al, almost no volume change is observed as Si is added to Fe-Mn, indicating that the electronic contributions are responsible for stabilization/destabilization of the fcc phase.

  10. The Development of Mathematical Prediction Model to Predict Resilient Modulus for Natural Soil Stabilized by Pofa-Opc Additive for the Use in Unpaved Road Design

    NASA Astrophysics Data System (ADS)

    Gamil, Y. M. R.; Bakar, I. H.

    2016-07-01

    Resilient Modulus (Mr) is considered one of the most important parameters in the design of road structure. This paper describes the development of the mathematical model to predict resilient modulus of organic soil stabilized by the mix of Palm Oil Fuel Ash - Ordinary Portland Cement (POFA-OPC) soil stabilization additives. It aims to optimize the use of the use of POFA in soil stabilization. The optimization models enable to eliminate the arbitrary selection and its associated disadvantages in determination of the optimum additive proportion. The model was developed based on Scheffe regression theory. The mix proportions of the samples in the experiment were adopted from similar studies reported in the literature Twenty five samples were designed, prepared and then characterized for each mix proportion based on the MR in 28 days curing. The results are used to develop the mathematical prediction model. The model was statistically analyzed and verified for its adequacy and validity using F-test.

  11. Effect of addition of antibiotics and an antioxidant on the stability of tissue reference materials for domoic acid, the amnesic shellfish poison.

    PubMed

    McCarron, Pearse; Burrell, Stephen; Hess, Philipp

    2007-04-01

    Five separate reference materials (RMs) were prepared from a mussel (Mytilus edulis) tissue containing domoic acid (DA) from scallop hepatopancreas (Pecten maximus). Homogenates were separately spiked with antibiotics, an antioxidant, or a combination of both. Control materials did not contain any additives and were prepared from lightly cooked and autoclaved mussel tissues. Stability studies were run over a 148-day period at three different temperature conditions: -20 degrees C, +4 degrees C and +40 degrees C. DA contents in all materials were characterised by HPLC-UV. Homogeneities were demonstrated at the beginning of the study, with coefficients of variance of less than 4% (n = 9). DA was stable at -20 degrees C in all materials. The control materials showed significant degradation after two days at +40 degrees C, and after eight days at +4 degrees C. Each of the materials containing additives demonstrated better stability during the initial period of the study. In addition there was no significant degradation in any of the materials with additives stored at +4 degrees C over the duration of the study. The material containing a combination of the antibiotics and the antioxidant displayed the best stability of all the materials. There was no significant reduction in DA concentration at all temperature conditions after eight days, and after 32 days the decrease at +40 degrees C was still <20 %. Following this, a DA laboratory reference material (LRM) was prepared and, based on previous results, spiked with both the antioxidant and antibiotics. A short-term stability study on this material gave similar results to the corresponding material in the additives study. This study shows that combined use of the additives investigated in the preparation of a mussel tissue reference material for DA ensures analyte stability for a period of up to eight days at temperatures of up to +40 degrees C, a condition that is particularly important when shipping test materials

  12. Highly Dynamic Interactions Maintain Kinetic Stability of the ClpXP Protease During the ATP-Fueled Mechanical Cycle.

    PubMed

    Amor, Alvaro J; Schmitz, Karl R; Sello, Jason K; Baker, Tania A; Sauer, Robert T

    2016-06-17

    The ClpXP protease assembles in a reaction in which an ATP-bound ring hexamer of ClpX binds to one or both heptameric rings of the ClpP peptidase. Contacts between ClpX IGF-loops and clefts on a ClpP ring stabilize the complex. How ClpXP stability is maintained during the ATP-hydrolysis cycle that powers mechanical unfolding and translocation of protein substrates is poorly understood. Here, we use a real-time kinetic assay to monitor the effects of nucleotides on the assembly and disassembly of ClpXP. When ATP is present, complexes containing single-chain ClpX assemble via an intermediate and remain intact until transferred into buffers containing ADP or no nucleotides. ATP binding to high-affinity subunits of the ClpX hexamer prevents rapid dissociation, but additional subunits must be occupied to promote assembly. Small-molecule acyldepsipeptides, which compete with the IGF loops of ClpX for ClpP-cleft binding, cause exceptionally rapid dissociation of otherwise stable ClpXP complexes, suggesting that the IGF-loop interactions with ClpP must be highly dynamic. Our results indicate that the ClpX hexamer spends almost no time in an ATP-free state during the ATPase cycle, allowing highly processive degradation of protein substrates.

  13. Gender and migration on the labour market: Additive or interacting disadvantages in Germany?

    PubMed

    Fleischmann, Fenella; Höhne, Jutta

    2013-09-01

    Despite substantial differences in labour market attainment according to gender and migration status, gender and ethnic differences in labour market behaviour are most often studied separately. In contrast, this study describes and analyses interactions between gender, ethnic background and immigrant generation with regard to labour market participation, part-time work, and occupational status. The double comparison aims to reveal whether gender gaps in these labour market outcomes among the majority population generalise to ethnic minorities. Moreover, we ask whether variation in gender gaps in labour market behaviour follows the patterns in migrants' origin countries, and whether gender gaps show signs of intergenerational assimilation. Our heterogeneous choice and OLS regressions of 2009 German Microcensus data reveal considerable variation in gender gaps in labour market behaviour between East and West Germany, across ethnic groups and across generations. Intergenerational comparisons show that most ethnic minorities assimilate towards German patterns of gendered labour market attainment.

  14. Pursuing Financial Stability: A Resource Dependence Perspective on Interactions between Pro-Vice Chancellors in a Network of Universities

    ERIC Educational Resources Information Center

    Pilbeam, Colin

    2012-01-01

    In resource-constrained environments universities increasingly must interact collaboratively and competitively to ensure financial stability. Such interactions are supported by the actions of senior university managers. This study investigated the extent and purpose of the interconnections between members of two groups of pro-vice chancellors…

  15. Kunitz trypsin inhibitor in addition to Bowman-Birk inhibitor influence stability of lunasin against pepsin-pancreatin hydrolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Soybean contains several biologically active components and one of this belongs to the bioactive peptide group. The objectives of this study were to produce different lunasin-enriched preparations (LEP) and determine the effect of Bowman-Birk inhibitor and Kunitz trypsin concentrations on the stabil...

  16. Nonspecific shielding of unfavorable electrostatic intramolecular interactions in the erythropoietin native-state increase conformational stability and limit non-native aggregation

    PubMed Central

    Banks, Douglas D

    2015-01-01

    Previous equilibrium and kinetic folding studies of the glycoprotein erythropoietin indicate that sodium chloride increases the conformational stability of this therapeutically important cytokine, ostensibly by stabilizing the native-state [Banks DD, (2011) The Effect of Glycosylation on the Folding Kinetics of Erythropoietin. J Mol Biol 412:536–550]. The focus of the current report is to determine the underlying cause of the salt dependent increase in erythropoietin conformational stability and to understand if it has any impact on aggregation, an instability that remains a challenge to the biotech industry in maintaining the efficacy and shelf-life of protein therapeutics. Isothermal urea denaturation experiments conducted at numerous temperatures in the absence and presence of sodium chloride indicated that salt stabilizes erythropoietin primarily by increasing the difference in enthalpy between the native and unfolded sates. This result, and the finding that the salt induced increases in erythropoietin melting temperatures were independent of the identity of the salt cation and anion, indicates that salt likely increases the conformational stability of erythropoietin at neutral pH by nonspecific shielding of unfavorable electrostatic interaction(s) in the native-state. The addition of salt (even low concentrations of the strong chaotrope salt guanidinium hydrochloride) also exponentially decreased the initial rate of soluble erythropoietin non-native aggregation at 37 °C storage. PMID:25628168

  17. Generation of reactive oxygen species by interaction between antioxidants used as food additive and metal ions.

    PubMed

    Iwasaki, Yusuke; Oda, Momoko; Tsukuda, Yuri; Nagamori, Yuki; Nakazawa, Hiroyuki; Ito, Rie; Saito, Koichi

    2014-01-01

    Food additives, such as preservatives, sweeteners, coloring agents, and flavoring agents, are widely used in food manufacturing. However, their combined effects on the human body are not known. The purpose of this study was to examine whether combinations of antioxidants and metal ions generate reactive oxygen species (ROS) under in vitro conditions using electron spin resonance (ESR). Among the metal ions examined, only iron and copper generated ROS in the presence of antioxidants. Moreover, certain phenolic antioxidants having pro-oxidant activity induced DNA oxidation and degradation via the generation of high levels of ROS in the presence of copper ion, resulting in complete degradation of DNA in vitro.

  18. Carbon source utilization profiles suggest additional metabolic interactions in a synergistic linuron-degrading bacterial consortium.

    PubMed

    Horemans, Benjamin; Smolders, Erik; Springael, Dirk

    2013-04-01

    A bacterial triple-species consortium that synergistically metabolizes the phenylurea herbicide linuron was studied to determine whether synergy is extended toward the metabolism of other C-sources. The metabolic performance and range of the individual consortium members were compared with those of paired and three-species combinations in Biolog GN2 MicroPlate assays. The strain combinations showed an increase in the rate and extent of utilization of 80% of the C-sources that were utilized by either one or more of the individual consortium members and the additional utilization of eight C-sources for which oxidation was not observed for the individual strains. When one of the three strains was replaced by bacterial strains 'foreign' to the consortium, either belonging to the same genus or to other genera, mainly antagonistic effects occurred. The data suggest that the consortium members cooperate in the metabolism of C-sources in addition to linuron. This feature can contribute in consolidating consortium composition when linuron is absent or present at low concentrations.

  19. Parabolized Stability Equations analysis of nonlinear interactions with forced eigenmodes to control subsonic jet instabilities

    NASA Astrophysics Data System (ADS)

    Itasse, Maxime; Brazier, Jean-Philippe; Léon, Olivier; Casalis, Grégoire

    2015-08-01

    Nonlinear evolution of disturbances in an axisymmetric, high subsonic, high Reynolds number hot jet with forced eigenmodes is studied using the Parabolized Stability Equations (PSE) approach to understand how modes interact with one another. Both frequency and azimuthal harmonic interactions are analyzed by setting up one or two modes at higher initial amplitudes and various phases. While single mode excitation leads to harmonic growth and jet noise amplification, controlling the evolution of a specific mode has been made possible by forcing two modes (m1, n1), (m2, n2), such that the difference in azimuth and in frequency matches the desired "target" mode (m1 - m2, n1 - n2). A careful setup of the initial amplitudes and phases of the forced modes, defined as the "killer" modes, has allowed the minimizing of the initially dominant instability in the near pressure field, as well as its estimated radiated noise with a 15 dB loss. Although an increase of the overall sound pressure has been found in the range of azimuth and frequency analyzed, the present paper reveals the possibility to make the initially dominant instability ineffective acoustically using nonlinear interactions with forced eigenmodes.

  20. Effective contact interactions in a stabilized RS1 brane world model

    SciTech Connect

    Boos, E. E. Bunichev, V. E. Smolyakov, M. N. Volobuev, I. P.

    2010-06-15

    We consider the effective Lagrangian due to the exchange of heavy Kaluza-Klein (KK) tensor graviton and scalar radion states in a stabilized Randall-Sundrum model (RS1) and compute explicitly the corresponding effective coupling constants. The Drell-Yan lepton pair production at the Tevatron and the LHC is analyzed in two situations, when the first KK resonance is too heavy to be directly detected at the colliders, and when the first KK resonance is visible but other states are still too heavy. In the first case the effective Lagrangian reduces to a contact interaction of Standard Model (SM) particles, whereas in the second case it includes a coupling of SM particles to the first KK mode and a contact interaction due to the exchange of all the heavier modes. It is shown that in both cases the contribution from the invisible KK tower leads to a modification of final particles distributions. In particular, for the second case a nontrivial interference between the first KK mode and the rest KK tower takes place. Expected 95% C.L. limits for model parameters for the Tevatron and the LHC are given. The numerical results are obtained by means of the CompHEP code, in which all new effective interactions are implemented providing a tool for simulation of corresponding events and a more detailed analysis.

  1. Parabolized Stability Equations analysis of nonlinear interactions with forced eigenmodes to control subsonic jet instabilities

    SciTech Connect

    Itasse, Maxime Brazier, Jean-Philippe Léon, Olivier Casalis, Grégoire

    2015-08-15

    Nonlinear evolution of disturbances in an axisymmetric, high subsonic, high Reynolds number hot jet with forced eigenmodes is studied using the Parabolized Stability Equations (PSE) approach to understand how modes interact with one another. Both frequency and azimuthal harmonic interactions are analyzed by setting up one or two modes at higher initial amplitudes and various phases. While single mode excitation leads to harmonic growth and jet noise amplification, controlling the evolution of a specific mode has been made possible by forcing two modes (m{sub 1}, n{sub 1}), (m{sub 2}, n{sub 2}), such that the difference in azimuth and in frequency matches the desired “target” mode (m{sub 1} − m{sub 2}, n{sub 1} − n{sub 2}). A careful setup of the initial amplitudes and phases of the forced modes, defined as the “killer” modes, has allowed the minimizing of the initially dominant instability in the near pressure field, as well as its estimated radiated noise with a 15 dB loss. Although an increase of the overall sound pressure has been found in the range of azimuth and frequency analyzed, the present paper reveals the possibility to make the initially dominant instability ineffective acoustically using nonlinear interactions with forced eigenmodes.

  2. Additive interactions of unrelated viruses in mixed infections of cowpea (Vigna unguiculata L. Walp)

    PubMed Central

    Nsa, Imade Y.; Kareem, Kehinde T.

    2015-01-01

    This study was carried out to determine the effects of single infections and co-infections of three unrelated viruses on three cowpea cultivars (one commercial cowpea cultivar “White” and 2 IITA lines; IT81D-985 and TVu 76). The plants were inoculated with Cowpea aphid-borne mosaic virus (CABMV), genus Potyvirus, Cowpea mottle virus (CMeV), genus Carmovirus and Southern bean mosaic virus (SBMV), genus Sobemovirus singly and in mixture (double and triple) at 10, 20, and 30 days after planting (DAP). The treated plants were assessed for susceptibility to the viruses, growth, and yield. In all cases of infection, early inoculation resulted in higher disease severity compared with late infection. The virus treated cowpea plants were relatively shorter than buffer inoculated control plants except the IT81D-985 plants that were taller and produced more foliage. Single infections by CABMV, CMeV, and SBMV led to a complete loss of seeds in the three cowpea cultivars at 10 DAP; only cultivar White produced some seeds at 30 DAP. Double and triple virus infections led to a total loss of seeds in all three cowpea cultivars. None of the virus infected IITA lines produced any seeds except IT81D-985 plants co-infected with CABMV and SBMV at 30 DAP with a reduction of 80%. Overall, the commercial cultivar “White” was the least susceptible to the virus treatments and produced the most yield (flowers, pods, and seeds). CABMV was the most aggressive of these viruses and early single inoculations with this virus resulted in the premature death of some of the seedlings. The presence of the Potyvirus, CABMV in the double virus infections did not appear to increase disease severity or yield loss. There was no strong evidence for synergistic interactions between the viruses in the double virus mixtures. PMID:26483824

  3. Additive interactions of unrelated viruses in mixed infections of cowpea (Vigna unguiculata L. Walp).

    PubMed

    Nsa, Imade Y; Kareem, Kehinde T

    2015-01-01

    This study was carried out to determine the effects of single infections and co-infections of three unrelated viruses on three cowpea cultivars (one commercial cowpea cultivar "White" and 2 IITA lines; IT81D-985 and TVu 76). The plants were inoculated with Cowpea aphid-borne mosaic virus (CABMV), genus Potyvirus, Cowpea mottle virus (CMeV), genus Carmovirus and Southern bean mosaic virus (SBMV), genus Sobemovirus singly and in mixture (double and triple) at 10, 20, and 30 days after planting (DAP). The treated plants were assessed for susceptibility to the viruses, growth, and yield. In all cases of infection, early inoculation resulted in higher disease severity compared with late infection. The virus treated cowpea plants were relatively shorter than buffer inoculated control plants except the IT81D-985 plants that were taller and produced more foliage. Single infections by CABMV, CMeV, and SBMV led to a complete loss of seeds in the three cowpea cultivars at 10 DAP; only cultivar White produced some seeds at 30 DAP. Double and triple virus infections led to a total loss of seeds in all three cowpea cultivars. None of the virus infected IITA lines produced any seeds except IT81D-985 plants co-infected with CABMV and SBMV at 30 DAP with a reduction of 80%. Overall, the commercial cultivar "White" was the least susceptible to the virus treatments and produced the most yield (flowers, pods, and seeds). CABMV was the most aggressive of these viruses and early single inoculations with this virus resulted in the premature death of some of the seedlings. The presence of the Potyvirus, CABMV in the double virus infections did not appear to increase disease severity or yield loss. There was no strong evidence for synergistic interactions between the viruses in the double virus mixtures.

  4. Development and testing of the Minimum Additive Waste Stabilization (MAWS) system for Fernald wastes. Phase 1, Final report

    SciTech Connect

    Fu, S.S.; Matlack, K.S.; Mohr, R.K.; Brandys, M. Hojaji, H.; Bennett, S.; Ruller, J.; Pegg, I.L.

    1994-12-01

    This report presents results of a treatability study for the evaluation of the MAWS process for wastes stored at the Fernald Environmental Management Project (FEMP) site. Wastes included in the study were FEMP Pit 5 sludges, soil-wash fractions, and ion exchange media from a water treatment system supporting a soil washing system. MAWS offers potential for treating a variety of waste streams to produce a more leach resistant waste form at a lower cost than, say, cement stabilization.

  5. Microstructural Stability of Nanocrystalline Copper through the Addition of Antimony Dopants at Grain Boundaries: Experiments and Molecular Dynamics Simulations

    SciTech Connect

    Rajgarhia, Rahul K.; Saxena, Ashok; Spearot, Douglas; Hartwig, Ted; More, Karren Leslie; Meyer III, Harry M; Kenik, Edward A

    2010-01-01

    Experiments and simulations show that the microstructural stability of nanocrystalline Cu can be improved by adding impurity atoms, such as Sb, which migrate to the grain boundaries. Cu100-xSbx alloys are cast in three compositions (Cu-0.0, 0.2 and 0.5 at.%Sb) and subsequently processed into nanocrystalline form by equal channel angular extrusion (ECAE). The presence of Sb atoms at the grain boundaries increases the recrystallization temperature to 400 C compared to 200 C for pure nanocrystalline Cu, which was verified by measurements of microhardness, ultimate tensile strength, grain size using TEM, and Auger electron spectroscopy. Molecular dynamics (MD) simulations were performed using a wider range of Sb compositions (0.0 to 1.0 at.%Sb) to study the underlying mechanisms associated with stability. MD simulations show that Sb atoms reduce excess grain boundary energy and that 0.2 and 0.5 at.%Sb is enough to stabilize the nanocrystalline Cu microstructure.

  6. Autoinducer-2-like activity associated with foods and its interaction with food additives.

    PubMed

    Lu, Lingeng; Hume, Michael E; Pillai, Suresh D

    2004-07-01

    The autoinducer-2 (AI-2) molecule produced by bacteria as part of quorum sensing is considered to be a universal inducer signal in bacteria because it reportedly influences gene expression in a variety of both gram-negative and gram-positive bacteria. The objective of this study was to determine whether selected fresh produce and processed foods have AI-2-like activity and whether specific food additives can act as AI-2 mimics and result in AI-2-like activity. The luminescence-based response of the reporter strain Vibrio harveyi BB170 was used as the basis for determining AI-2 activity in the selected foods and food ingredients. Maximum AI-2 activity was seen on the frozen fish sample (203-fold, compared with the negative control) followed by tomato, cantaloupe, carrots, tofu, and milk samples. Interestingly, some samples were capable of inhibiting AI-2 activity. Turkey patties showed the highest inhibition (99.8% compared with the positive control) followed by chicken breast (97.5%), homemade cheeses (93.7%), beef steak (90.6%), and beef patties (84.4%). AI-2 activity was almost totally inhibited by sodium propionate, whereas sodium benzoate caused 93.3% inhibition, compared with 75% inhibition by sodium acetate. Sodium nitrate did not have any appreciable effect, even at 200 ppm. Understanding the relationships that exist between AI-2 activity on foods and the ecology of pathogens and food spoilage bacteria on foods could yield clues about factors controlling food spoilage and pathogen virulence.

  7. A non-additive interaction in a single locus causes a very short root phenotype in wheat.

    PubMed

    Li, Wanlong; Zhu, Huilan; Challa, Ghana S; Zhang, Zhengzhi

    2013-05-01

    Non-additive allelic interactions underlie over dominant and under dominant inheritance, which explain positive and negative heterosis. These heteroses are often observed in the aboveground traits, but rarely reported in root. We identified a very short root (VSR) phenotype in the F1 hybrid between the common wheat (Triticum aestivum L.) landrace Chinese Spring and synthetic wheat accession TA4152-71. When germinated in tap water, primary roots of the parental lines reached ~15 cm 10 days after germination, but those of the F1 hybrid were ~3 cm long. Selfing populations segregated at a 1 (long-root) to 1 (short-root) ratio, indicating that VSR is controlled by a non-additive interaction between two alleles in a single gene locus, designated as Vsr1. Genome mapping localized the Vsr1 locus in a 3.8-cM interval delimited by markers XWL954 and XWL2506 on chromosome arm 5DL. When planted in vermiculite with supplemental fertilizer, the F1 hybrid had normal root growth, virtually identical to the parental lines, but the advanced backcrossing populations segregated for VSR, indicating that the F1 VSR expression was suppressed by interactions between other genes in the parental background and the vermiculite conditions. Preliminary physiological analyses showed that the VSR suppression is independent of light status but related to potassium homeostasis. Phenotyping additional hybrids between common wheat and synthetics revealed a high VSR frequency and their segregation data suggested more Vsr loci involved. Because the VSR plants can be regularly maintained and readily phenotyped at the early developmental stage, it provides a model for studies of non-additive interactions in wheat.

  8. Protein-silver nanoparticle interactions to colloidal stability in acidic environments.

    PubMed

    Tai, Jui-Ting; Lai, Chao-Shun; Ho, Hsin-Chia; Yeh, Yu-Shan; Wang, Hsiao-Fang; Ho, Rong-Ming; Tsai, De-Hao

    2014-11-04

    We report a kinetic study of Ag nanoparticles (AgNPs) under acidic environments (i.e., pH 2.3 to pH ≈7) and systematically investigate the impact of protein interactions [i.e., bovine serum albumin (BSA) as representative] to the colloidal stability of AgNPs. Electrospray-differential mobility analysis (ES-DMA) was used to characterize the particle size distributions and the number concentrations of AgNPs. Transmission electron microscopy was employed orthogonally to provide visualization of AgNPs. For unconjugated AgNPs, the extent of aggregation, or the average particle size, was shown to be increased significantly with an increase of acidity, where a partial coalescence was found between the primary particles of unconjugated AgNP clusters. Aggregation rate constant, kD, was also shown to be proportional to acidity, following a correlation of log(kD) = -1.627(pH)-9.3715. Using ES-DMA, we observe BSA had a strong binding affinity (equilibrium binding constant, ≈ 1.1 × 10(6) L/mol) to the surface of AgNPs, with an estimated maximum molecular surface density of ≈0.012 nm(-2). BSA-functionalized AgNPs exhibited highly-improved colloidal stability compared to the unconjugated AgNPs under acidic environments, where both the acid-induced interfacial dissolution and the particle aggregation became negligible. Results confirm a complex mechanism of colloidal stability of AgNPs: the aggregation process was shown to be dominant, and the formation of BSA corona on AgNPs suppressed both particle aggregation and interfacial dissolution of AgNP samples under acidic environments.

  9. Plant species, atmospheric CO2 and soil N interactively or additively control C allocation within plant-soil systems.

    PubMed

    F U, Shenglei; Ferris, Howard

    2006-12-01

    Two plant species, Medicago truncatula (legume) and Avena sativa (non-legume), were grown in low- or high-N soils under two CO2 concentrations to test the hypothesis whether C allocation within plant-soil system is interactively or additively controlled by soil N and atmospheric CO2 is dependent upon plant species. The results showed the interaction between plant species and soil N had a significant impact on microbial activity and plant growth. The interaction between CO2 and soil N had a significant impact on soil soluble C and soil microbial biomass C under Madicago but not under Avena. Although both CO2 and soil N affected plant growth significantly, there was no interaction between CO2 and soil N on plant growth. In other words, the effects of CO2 and soil N on plant growth were additive. We considered that the interaction between N2 fixation trait of legume plant and elevated CO2 might have obscured the interaction between soil N and elevated CO2 on the growth of legume plant. In low-N soil, the shoot-to-root ratio of Avena dropped from 2.63 +/- 0.20 in the early growth stage to 1.47 +/- 0.03 in the late growth stage, indicating that Avena plant allocated more energy to roots to optimize nutrient uptake (i.e. N) when soil N was limiting. In high-N soil, the shoot-to-root ratio of Medicago increased significantly over time (from 2.45 +/- 0.30 to 5.43 +/- 0.10), suggesting that Medicago plants allocated more energy to shoots to optimize photosynthesis when N was not limiting. The shoot-to-root ratios were not significantly different between two CO2 levels.

  10. Resveratrol serves as a protein-substrate interaction stabilizer in human SIRT1 activation

    NASA Astrophysics Data System (ADS)

    Hou, Xuben; Rooklin, David; Fang, Hao; Zhang, Yingkai

    2016-11-01

    Resveratrol is a natural compound found in red wine that has been suggested to exert its potential health benefit through the activation of SIRT1, a crucial member of the mammalian NAD+-dependent deacetylases. SIRT1 has emerged as an attractive therapeutic target for many aging related diseases, however, how its activity can only be activated toward some specific substrates by resveratrol has been poorly understood. Herein, by employing extensive molecular dynamics simulations as well as fragment-centric topographical mapping of binding interfaces, we have clarified current controversies in the literature and elucidated that resveratrol plays an important activation role by stabilizing SIRT1/peptide interactions in a substrate-specific manner. This new mechanism highlights the importance of the N-terminal domain in substrate recognition, explains the activity restoration role of resveratrol toward some “loose-binding” substrates of SIRT1, and has significant implications for the rational design of new substrate-specific SIRT1 modulators.

  11. Important factors stabilizing stacking interaction between 3-nitropyrrole and natural nucleobases revealed by ab initio calculations.

    PubMed

    Seio, Kohji; Ukawa, Hisashi; Shohda, Koh-ichiro; Sekine, Mitsuo

    2003-01-01

    Stacking energies between canonical nucleobases and a universal base, 3-nitropyrrole (3-NP), were estimated by use of molecular orbital (MO) and molecular mechanics (MM) calculations. The detailed analysis of the energy profiles revealed the importance of the London dispersion energy to stabilize the stacked dimers and electrostatic interactions to determine the orientation of 3-NP to the nucleobases in the dimers. Although the energy profiles of 3-NP/natural base dimers obtained by the MO and MM calculations were qualitatively correlated with each other, the correlations were poorer than those obtained for the stacking between natural bases. The origin of the difference between 3-NP and natural bases will be discussed to understand the possibility and limitation of the current MM calculations for the simulation and design of other universal bases.

  12. PHI-base: a new interface and further additions for the multi-species pathogen-host interactions database.

    PubMed

    Urban, Martin; Cuzick, Alayne; Rutherford, Kim; Irvine, Alistair; Pedro, Helder; Pant, Rashmi; Sadanadan, Vidyendra; Khamari, Lokanath; Billal, Santoshkumar; Mohanty, Sagar; Hammond-Kosack, Kim E

    2017-01-04

    The pathogen-host interactions database (PHI-base) is available at www.phi-base.org PHI-base contains expertly curated molecular and biological information on genes proven to affect the outcome of pathogen-host interactions reported in peer reviewed research articles. In addition, literature that indicates specific gene alterations that did not affect the disease interaction phenotype are curated to provide complete datasets for comparative purposes. Viruses are not included. Here we describe a revised PHI-base Version 4 data platform with improved search, filtering and extended data display functions. A PHIB-BLAST search function is provided and a link to PHI-Canto, a tool for authors to directly curate their own published data into PHI-base. The new release of PHI-base Version 4.2 (October 2016) has an increased data content containing information from 2219 manually curated references. The data provide information on 4460 genes from 264 pathogens tested on 176 hosts in 8046 interactions. Prokaryotic and eukaryotic pathogens are represented in almost equal numbers. Host species belong ∼70% to plants and 30% to other species of medical and/or environmental importance. Additional data types included into PHI-base 4 are the direct targets of pathogen effector proteins in experimental and natural host organisms. The curation problems encountered and the future directions of the PHI-base project are briefly discussed.

  13. PHI-base: a new interface and further additions for the multi-species pathogen–host interactions database

    PubMed Central

    Urban, Martin; Cuzick, Alayne; Rutherford, Kim; Irvine, Alistair; Pedro, Helder; Pant, Rashmi; Sadanadan, Vidyendra; Khamari, Lokanath; Billal, Santoshkumar; Mohanty, Sagar; Hammond-Kosack, Kim E.

    2017-01-01

    The pathogen–host interactions database (PHI-base) is available at www.phi-base.org. PHI-base contains expertly curated molecular and biological information on genes proven to affect the outcome of pathogen–host interactions reported in peer reviewed research articles. In addition, literature that indicates specific gene alterations that did not affect the disease interaction phenotype are curated to provide complete datasets for comparative purposes. Viruses are not included. Here we describe a revised PHI-base Version 4 data platform with improved search, filtering and extended data display functions. A PHIB-BLAST search function is provided and a link to PHI-Canto, a tool for authors to directly curate their own published data into PHI-base. The new release of PHI-base Version 4.2 (October 2016) has an increased data content containing information from 2219 manually curated references. The data provide information on 4460 genes from 264 pathogens tested on 176 hosts in 8046 interactions. Prokaryotic and eukaryotic pathogens are represented in almost equal numbers. Host species belong ∼70% to plants and 30% to other species of medical and/or environmental importance. Additional data types included into PHI-base 4 are the direct targets of pathogen effector proteins in experimental and natural host organisms. The curation problems encountered and the future directions of the PHI-base project are briefly discussed. PMID:27915230

  14. Complete structure of the bacterial flagellar hook reveals extensive set of stabilizing interactions

    PubMed Central

    Matsunami, Hideyuki; Barker, Clive S.; Yoon, Young-Ho; Wolf, Matthias; Samatey, Fadel A.

    2016-01-01

    The bacterial flagellar hook is a tubular helical structure made by the polymerization of multiple copies of a protein, FlgE. Here we report the structure of the hook from Campylobacter jejuni by cryo-electron microscopy at a resolution of 3.5 Å. On the basis of this structure, we show that the hook is stabilized by intricate inter-molecular interactions between FlgE molecules. Extra domains in FlgE, found only in Campylobacter and in related bacteria, bring more stability and robustness to the hook. Functional experiments suggest that Campylobacter requires an unusually strong hook to swim without its flagella being torn off. This structure reveals details of the quaternary organization of the hook that consists of 11 protofilaments. Previous study of the flagellar filament of Campylobacter by electron microscopy showed its quaternary structure made of seven protofilaments. Therefore, this study puts in evidence the difference between the quaternary structures of a bacterial filament and its hook. PMID:27811912

  15. Solid phase stability of a double-minimum interaction potential system

    SciTech Connect

    Suematsu, Ayumi; Yoshimori, Akira Saiki, Masafumi; Matsui, Jun; Odagaki, Takashi

    2014-06-28

    We study phase stability of a system with double-minimum interaction potential in a wide range of parameters by a thermodynamic perturbation theory. The present double-minimum potential is the Lennard-Jones-Gauss potential, which has a Gaussian pocket as well as a standard Lennard-Jones minimum. As a function of the depth and position of the Gaussian pocket in the potential, we determine the coexistence pressure of crystals (fcc and bcc). We show that the fcc crystallizes even at zero pressure when the position of the Gaussian pocket is coincident with the first or third nearest neighbor site of the fcc crystal. The bcc crystal is more stable than the fcc crystal when the position of the Gaussian pocket is coincident with the second nearest neighbor sites of the bcc crystal. The stable crystal structure is determined by the position of the Gaussian pocket. These results show that we can control the stability of the solid phase by tuning the potential function.

  16. Solid phase stability of a double-minimum interaction potential system

    NASA Astrophysics Data System (ADS)

    Suematsu, Ayumi; Yoshimori, Akira; Saiki, Masafumi; Matsui, Jun; Odagaki, Takashi

    2014-06-01

    We study phase stability of a system with double-minimum interaction potential in a wide range of parameters by a thermodynamic perturbation theory. The present double-minimum potential is the Lennard-Jones-Gauss potential, which has a Gaussian pocket as well as a standard Lennard-Jones minimum. As a function of the depth and position of the Gaussian pocket in the potential, we determine the coexistence pressure of crystals (fcc and bcc). We show that the fcc crystallizes even at zero pressure when the position of the Gaussian pocket is coincident with the first or third nearest neighbor site of the fcc crystal. The bcc crystal is more stable than the fcc crystal when the position of the Gaussian pocket is coincident with the second nearest neighbor sites of the bcc crystal. The stable crystal structure is determined by the position of the Gaussian pocket. These results show that we can control the stability of the solid phase by tuning the potential function.

  17. Wuho Is a New Member in Maintaining Genome Stability through its Interaction with Flap Endonuclease 1

    PubMed Central

    Cheng, I-Cheng; Chen, Betty Chamay; Shuai, Hung-Hsun; Chien, Fan-Ching; Chen, Peilin; Hsieh, Tao-shih

    2016-01-01

    Replication forks are vulnerable to wayward nuclease activities. We report here our discovery of a new member in guarding genome stability at replication forks. We previously isolated a Drosophila mutation, wuho (wh, no progeny), characterized by a severe fertility defect and affecting expression of a protein (WH) in a family of conserved proteins with multiple WD40 repeats. Knockdown of WH by siRNA in Drosophila, mouse, and human cultured cells results in DNA damage with strand breaks and apoptosis through ATM/Chk2/p53 signaling pathway. Mice with mWh knockout are early embryonic lethal and display DNA damage. We identify that the flap endonuclease 1 (FEN1) is one of the interacting proteins. Fluorescence microscopy showed the localization of WH at the site of nascent DNA synthesis along with other replication proteins, including FEN1 and PCNA. We show that WH is able to modulate FEN1’s endonucleolytic activities depending on the substrate DNA structure. The stimulatory or inhibitory effects of WH on FEN1’s flap versus gap endonuclease activities are consistent with the proposed WH’s functions in protecting the integrity of replication fork. These results suggest that wh is a new member of the guardians of genome stability because it regulates FEN1’s potential DNA cleavage threat near the site of replication. PMID:26751069

  18. Small-Molecule Stabilization of 14-3-3 Protein-Protein Interactions Stimulates Axon Regeneration.

    PubMed

    Kaplan, Andrew; Morquette, Barbara; Kroner, Antje; Leong, SooYuen; Madwar, Carolin; Sanz, Ricardo; Banerjee, Sara L; Antel, Jack; Bisson, Nicolas; David, Samuel; Fournier, Alyson E

    2017-03-08

    Damaged central nervous system (CNS) neurons have a poor ability to spontaneously regenerate, causing persistent functional deficits after injury. Therapies that stimulate axon growth are needed to repair CNS damage. 14-3-3 adaptors are hub proteins that are attractive targets to manipulate cell signaling. We identify a positive role for 14-3-3s in axon growth and uncover a developmental regulation of the phosphorylation and function of 14-3-3s. We show that fusicoccin-A (FC-A), a small-molecule stabilizer of 14-3-3 protein-protein interactions, stimulates axon growth in vitro and regeneration in vivo. We show that FC-A stabilizes a complex between 14-3-3 and the stress response regulator GCN1, inducing GCN1 turnover and neurite outgrowth. These findings show that 14-3-3 adaptor protein complexes are druggable targets and identify a new class of small molecules that may be further optimized for the repair of CNS damage.

  19. Mechanical interactions between collagen and proteoglycans: implications for the stability of lung tissue.

    PubMed

    Cavalcante, Francisco S A; Ito, Satoru; Brewer, Kelly; Sakai, Hiroaki; Alencar, Adriano M; Almeida, Murilo P; Andrade, José S; Majumdar, Arnab; Ingenito, Edward P; Suki, Béla

    2005-02-01

    Collagen and elastin are thought to dominate the elasticity of the connective tissue including lung parenchyma. The glycosaminoglycans on the proteoglycans may also play a role because osmolarity of interstitial fluid can alter the repulsive forces on the negatively charged glycosaminoglycans, allowing them to collapse or inflate, which can affect the stretching and folding pattern of the fibers. Hence, we hypothesized that the elasticity of lung tissue arises primarily from 1) the topology of the collagen-elastin network and 2) the mechanical interaction between proteoglycans and fibers. We measured the quasi-static, uniaxial stress-strain curves of lung tissue sheets in hypotonic, normal, and hypertonic solutions. We found that the stress-strain curve was sensitive to osmolarity, but this sensitivity decreased after proteoglycan digestion. Images of immunofluorescently labeled collagen networks showed that the fibers follow the alveolar walls that form a hexagonal-like structure. Despite the large heterogeneity, the aspect ratio of the hexagons at 30% uniaxial strain increased linearly with osmolarity. We developed a two-dimensional hexagonal network model of the alveolar structure incorporating the mechanical properties of the collagen-elastin fibers and their interaction with proteoglycans. The model accounted for the stress-strain curves observed under all experimental conditions. The model also predicted how aspect ratio changed with osmolarity and strain, which allowed us to estimate the Young's modulus of a single alveolar wall and a collagen fiber. We therefore identify a novel and important role for the proteoglycans: they stabilize the collagen-elastin network of connective tissues and contribute to lung elasticity and alveolar stability at low to medium lung volumes.

  20. Interactions of Carbon Gain and Nitrogen Addition in a Temperate Forest

    NASA Astrophysics Data System (ADS)

    Bazzaz, F. A.

    2001-12-01

    In plants, carbon and nitrogen are intimately related. The plant gains carbon using nitrogen because it is a major constituent of both the light reaction (chlorophyll) and dark reaction (Rubisco and PEP carboxylase). The plant also gains more nitrogen by using carbon to grow roots that can forage for nitrogen, especially the less mobile (NH4+). Rising CO2 and increased nitrogen deposition are important elements of global change, both of which may affect ecosystem structure and function. They may cause a particularly large shift in species composition in systems where contrasting groups of species co-occur, e.g. evergreen coniferous and deciduous broad-leaved tree species. We studied the impact of nitrogen deposition in a mixed forest in central Massachusetts (Harvard Forest). We found that the early-successional broad-leaved species, yellow birch (Betula alleghaniensis) and red maple (Acer rubrum), both showed large increases in biomass, while the late successional species sugar maple (Acer saccharum) and all the coniferous species, hemlock (Tsuga canadensis), red spruce (Picea rubens) and white pine (Pinus strobus), only showed slight increases. As a result, when these species wre grown together, there was a decrease in species diversity. There was a significant correlation between species growth rate and the growth enhancement following nitrogen addition. We used SORTIE, a spatially explicit forest model to speculate about the future of this community. In both hemlock and red oak stands, nitrogen deposition led to shift in forest composition towards further dominance of young forests by yellow birch. We conclude that seedling physiological and demographic responses to increased nitrogen availability will scale up to exaggerate successional dynamics in mixed temperate forests in the future

  1. Role of hydrophobicity and solvent-mediated charge-charge interactions in stabilizing alpha-helices.

    PubMed Central

    Vila, J A; Ripoll, D R; Villegas, M E; Vorobjev, Y N; Scheraga, H A

    1998-01-01

    A theoretical study to identify the conformational preferences of lysine-based oligopeptides has been carried out. The solvation free energy and free energy of ionization of the oligopeptides have been calculated by using a fast multigrid boundary element method that considers the coupling between the conformation of the molecule and the ionization equilibria explicitly, at a given pH value. It has been found experimentally that isolated alanine and lysine residues have somewhat small intrinsic helix-forming tendencies; however, results from these simulations indicate that conformations containing right-handed alpha-helical turns are energetically favorable at low values of pH for lysine-based oligopeptides. Also, unusual patterns of interactions among lysine side chains with large hydrophobic contacts and close proximity (5-6 A) between charged NH3+ groups are observed. Similar arrangements of charged groups have been seen for lysine and arginine residues in experimentally determined structures of proteins available from the Protein Data Bank. The lowest-free-energy conformation of the sequence Ac-(LYS)6-NMe from these simulations showed large pKalpha shifts for some of the NH3+ groups of the lysine residues. Such large effects are not observed in the lowest-energy conformations of oligopeptide sequences with two, three, or four lysine residues. Calculations on the sequence Ac-LYS-(ALA)4-LYS-NMe also reveal low-energy alpha-helical conformations with interactions of one of the LYS side chains with the helix backbone in an arrangement quite similar to the one described recently by (Proc. Natl. Acad. Sci. U.S.A. 93:4025-4029). The results of this study provide a sound basis with which to discuss the nature of the interactions, such as hydrophobicity, charge-charge interaction, and solvent polarization effects, that stabilize right-handed alpha-helical conformations. PMID:9826588

  2. Interaction strengths in balanced carbon cycles and the absence of a relation between ecosystem complexity and stability.

    PubMed

    Neutel, Anje-Margriet; Thorne, Michael A S

    2014-06-01

    The strength of interactions is crucial to the stability of ecological networks. However, the patterns of interaction strengths in mathematical models of ecosystems have not yet been based upon independent observations of balanced material fluxes. Here we analyse two Antarctic ecosystems for which the interaction strengths are obtained: (1) directly, from independently measured material fluxes, (2) for the complete ecosystem and (3) with a close match between species and 'trophic groups'. We analyse the role of recycling, predation and competition and find that ecosystem stability can be estimated by the strengths of the shortest positive and negative predator-prey feedbacks in the network. We show the generality of our explanation with another 21 observed food webs, comparing random-type parameterisations of interaction strengths with empirical ones. Our results show how functional relationships dominate over average-network topology. They make clear that the classic complexity-instability paradox is essentially an artificial interaction-strength result.

  3. Delayed addition of nitrogen-rich substrates during composting of municipal waste: Effects on nitrogen loss, greenhouse gas emissions and compost stability.

    PubMed

    Nigussie, Abebe; Bruun, Sander; Kuyper, Thomas W; de Neergaard, Andreas

    2017-01-01

    Municipal waste is usually composted with an N-rich substrate, such as manure, to increase the N content of the product. This means that a significant amount of nitrogen can be lost during composting. The objectives of this study were (i) to investigate the effect of split addition of a nitrogen-rich substrate (poultry manure) on nitrogen losses and greenhouse gas emissions during composting and to link this effect to different bulking agents (coffee husks and sawdust), and (ii) to assess the effect of split addition of a nitrogen-rich substrate on compost stability and sanitisation. The results showed that split addition of the nitrogen-rich substrate reduced nitrogen losses by 9% when sawdust was used and 20% when coffee husks were used as the bulking agent. Depending on the bulking agent used, split addition increased cumulative N2O emissions by 400-600% compared to single addition. In contrast, single addition increased methane emissions by up to 50% compared to split addition of the substrate. Hence, the timing of the addition of the N-rich substrate had only a marginal effect on total non-CO2 greenhouse gas emissions. Split addition of the N-rich substrate resulted in compost that was just as stable and effective at completely eradicating weed seeds as single addition. These findings therefore show that split addition of a nitrogen-rich substrate could be an option for increasing the fertilising value of municipal waste compost without having a significant effect on total greenhouse gas emissions or compost stability.

  4. Addition theorems for Slater-type orbitals and their application to multicenter multielectron integrals of central and noncentral interaction potentials.

    PubMed

    Guseinov, Israfil

    2003-06-01

    By the use of complete orthonormal sets of psi(alpha)-ETOs (alpha=1, 0, m1, m2,...) introduced by the author, new addition theorems are derived for STOs and arbitrary central and noncentral interaction potentials (CIPs and NCIPs). The expansion coefficients in these addition theorems are expressed through the Gaunt and Gegenbauer coefficients. Using the addition theorems obtained for STOs and potentials, general formulae in terms of three-center overlap integrals are established for the multicenter t-electron integrals of CIPs and NCIPs that arise in the solution of the N-electron atomic and molecular problem (2hthN) when a Hylleraas approximation in Hartree-Fock-Roothaan theory is employed. With the help of expansion formulae for translation of STOs, the three-center overlap integrals are expressed through the two-center overlap integrals. The formulae obtained are valid for arbitrary quantum numbers, screening constants and location of orbitals.

  5. Slip casting and extruding shapes of rhemium with metal oxide additives. Part 2: Development of grain stabilized rhenium parts for resistojets

    NASA Technical Reports Server (NTRS)

    Barr, Francis A.; Page, Russell J.

    1987-01-01

    The adaptation of the powdered particle process used for pure metal oxides to the coprocessing of rhenium oxides suitable to produce pure miniature resistojet hardware has been successful. Both slip casting and extrusion processes were used. The metal oxide ZrO2 was stabilized into the cubic phase with Y2O3, for use as a potentially grain stabilizing additive to rhenium. Straight meter long tubing in two sizes are reported. Tubing suitable for resistojet ohmic heater use of fully fired dimensions of nominally 3.8 mm o.d. x 2.2 mm i.d.. and 1.26 mm o.d. x .45 mm i.d. with 0, 0.5, 1.0 and 5.0% zirconia additives were produced for further study. Photomicrographs of these are discussed. The addition of the metal oxide zirconia to rhenium resulted in more dense and less porous parts. The additions of phase stabilized zirconia most likely act as a sintering aid. Tubes of varying diameter were slip cast which were representative of miniature pressure cases.

  6. Interactive responses of grass litter decomposition to warming, nitrogen addition and detritivore access in a temperate old field.

    PubMed

    Moise, Eric R D; Henry, Hugh A L

    2014-12-01

    Plant litter decomposition has been studied extensively in the context of both climate warming and increased atmospheric N deposition. However, much of this research is based on microbial responses, despite the potential for detritivores to contribute substantially to litter breakdown. We measured litter mass-loss responses to the combined effects of warming, N addition and detritivore access in a grass-dominated old field. We concurrently assessed the roles of litter treatment origin vs. microenvironment (direct warming and N-addition effects) to elucidate the mechanisms through which these factors affect decomposition. After 6 weeks, mass loss increased in N-addition plots, and it increased with detritivore access in the absence of warming. After 1 year, warming, N addition, and detritivore access all increased litter mass loss, although the effects of N addition and warming were non-additive in the detritivore-access plots. For the litter-origin experiment, mass loss after 6 weeks increased in litter from N-addition plots and warmed plots, but unlike the overall decomposition response, the N-addition effect was enhanced by detritivore access. Conversely, for the microenvironment experiment, detritivore access only increased mass loss in unfertilized plots. After 1 year, detritivore access increased mass loss in the litter-origin and microenvironment experiments, but there were no warming or N-addition effects. Overall, our results provide support for a substantial role of detritivores in promoting litter mass loss in our system. Moreover, they reveal important interactions between litter origin, microclimate and detritivores in determining decomposition responses to global change.

  7. NhaA antiporter functions using 10 helices, and an additional 2 contribute to assembly/stability.

    PubMed

    Padan, Etana; Danieli, Tsafi; Keren, Yael; Alkoby, Dudu; Masrati, Gal; Haliloglu, Turkan; Ben-Tal, Nir; Rimon, Abraham

    2015-10-13

    The Escherichia coli Na(+)/H(+) antiporter (Ec-NhaA) is the best-characterized of all pH-regulated Na(+)/H(+) exchangers that control cellular Na(+) and H(+) homeostasis. Ec-NhaA has 12 helices, 2 of which (VI and VII) are absent from other antiporters that share the Ec-NhaA structural fold. This α-hairpin is located in the dimer interface of the Ec-NhaA homodimer together with a β-sheet. Here we examine computationally and experimentally the role of the α-hairpin in the stability, dimerization, transport, and pH regulation of Ec-NhaA. Evolutionary analysis (ConSurf) indicates that the VI-VII helical hairpin is much less conserved than the remaining transmembrane region. Moreover, normal mode analysis also shows that intact NhaA and a variant, deleted of the α-hairpin, share similar dynamics, suggesting that the structure may be dispensable. Thus, two truncated Ec-NhaA mutants were constructed, one deleted of the α-hairpin and another also lacking the β-sheet. The mutants were studied at physiological pH in the membrane and in detergent micelles. The findings demonstrate that the truncated mutants retain significant activity and regulatory properties but are defective in the assembly/stability of the Ec-NhaA dimer.

  8. Thermal stability improvements to the ESPaDOnS spectrograph with the addition of a thermal enclosure

    NASA Astrophysics Data System (ADS)

    Barrick, Gregory; Benedict, Tom; Moutou, Claire; Malo, Lison; White, John; Chene, André-Nicolas; Lundquist, Michael

    2016-08-01

    As part of GRACES (Gemini Remote Access to CFHT ESPaDOnS Spectrograph), a project to link the Gemini-North telescope to the ESPaDOnS (Echelle Polarimetric Device for the Observation of Stars) spectrograph at CFHT (Canada- France-Hawaii Telescope), the original thermal enclosure of the spectrograph needed to be modified. Although the modifications were slight, there was a significant possibility that the thermal stability of ESPaDOnS would be somewhat compromised. To eliminate this risk, a walk-in thermal enclosure was purchased and installed around the ESPaDOnS spectrograph as part of the GRACES project. The thermal impact of these modifications to the ESPaDOnS environment will be analyzed and the effect of the changes on the amplitude and behavior of the spectral drift for the ESPaDOnS and GRACES instruments will be examined. While the outer enclosure has reduced the extremes in thermal variation, this has not had a direct effect on the stability of the spectra.

  9. Reduced native state stability in crowded cellular environment due to protein-protein interactions

    PubMed Central

    Harada, Ryuhei; Tochio, Naoya; Kigawa, Takanori; Sugita, Yuji; Feig, Michael

    2013-01-01

    The effect of cellular crowding environments on protein structure and stability is a key issue in molecular and cellular biology. The classical view of crowding emphasizes the volume exclusion effect that generally favors compact, native states. Here, results from molecular dynamics simulations and NMR experiments show that protein crowders may destabilize native states via protein-protein interactions. In the model system considered here, mixtures of villin head piece and protein G at high concentrations, villin structures become increasingly destabilized upon increasing crowder concentrations. The denatured states observed in the simulation involve partial unfolding as well as more subtle conformational shifts. The unfolded states remain overall compact and only partially overlap with unfolded ensembles at high temperature and in the presence of urea. NMR measurements on the same systems confirm structural changes upon crowding based on changes of chemical shifts relative to dilute conditions. An analysis of protein-protein interactions and energetic aspects suggests the importance of enthalpic and solvation contributions to the crowding free energies that challenge an entropic-centered view of crowding effects. PMID:23402619

  10. Effects of intermolecular interactions on the stability of carbon nanotube–gold nanoparticle conjugates in solution

    PubMed Central

    Konczak, Lukasz; Narkiewicz-Michalek, Jolanta; Pastorin, Giorgia; Panczyk, Tomasz

    2016-01-01

    This work deals with the role of intermolecular interactions in the stability of a carbon nanotube (CNT) capped by functionalized gold nanoparticles (AuNPs). The importance of such a system is due to its potential application as a pH-controlled drug carrier. Our preliminary experimental studies showed that fabrication of such a nanobottle/nanocontainer is feasible and it is possible to encapsulate the anticancer drug cisplatin inside the inner space of a CNT and seal its ends by functionalized AuNPs. The expected behavior, that is, detachment of AuNPs at acidic pH and the release of cisplatin, was, however, not observed. On the other hand, our theoretical studies of chemically identical system led to the conclusion that the release of cisplatin at acidic pH should be observed. Therefore, in this work, a deeper theoretical analysis of various factors that could be responsible for the disagreement between experimental and theoretical results were performed. The study found that the major factor is a large dispersion interaction component acting between CNT and AuNP in solution in the case of the experimental system. This factor can be controlled to some extent by tuning the system size or the ratio between AuNP diameter and CNT diameter. Thus, such kind of a pH-sensitive drug carrier is still of great interest, but its structural parameters need to be properly adjusted. PMID:27853368

  11. Oxidation stability of biodiesel fuels and blends using the Rancimat and PetroOXY methods. Effect of 4-allyl-2,6-dimethoxyphenol and catechol as biodiesel additives on oxidation stability

    PubMed Central

    Botella, Lucía; Bimbela, Fernando; Martín, Lorena; Arauzo, Jesús; Sánchez, José L.

    2014-01-01

    In the present work, several fatty acid methyl esters (FAME) have been synthesized from various fatty acid feedstocks: used frying olive oil, pork fat, soybean, rapeseed, sunflower, and coconut. The oxidation stabilities of the biodiesel samples and of several blends have been measured simultaneously by both the Rancimat method, accepted by EN14112 standard, and the PetroOXY method, prEN16091 standard, with the aim of finding a correlation between both methodologies. Other biodiesel properties such as composition, cold filter plugging point (CFPP), flash point (FP), and kinematic viscosity have also been analyzed using standard methods in order to further characterize the biodiesel produced. In addition, the effect on the biodiesel properties of using 4-allyl-2,6-dimethoxyphenol and catechol as additives in biodiesel blends with rapeseed and with soybean has also been analyzed. The use of both antioxidants results in a considerable improvement in the oxidation stability of both types of biodiesel, especially using catechol. Adding catechol loads as low as 0.05% (m/m) in blends with soybean biodiesel and as low as 0.10% (m/m) in blends with rapeseed biodiesel is sufficient for the oxidation stabilities to comply with the restrictions established by the European EN14214 standard. An empirical linear equation is proposed to correlate the oxidation stability by the two methods, PetroOXY and Rancimat. It has been found that the presence of either catechol or 4-allyl-2,6-dimethoxyphenol as additives affects the correlation observed. PMID:25101258

  12. Oxidation stability of biodiesel fuels and blends using the Rancimat and PetroOXY methods. Effect of 4-allyl-2,6-dimetoxiphenol and cathecol as biodiesel additives on oxidation stability

    NASA Astrophysics Data System (ADS)

    Botella, Lucía; Bimbela, Fernando; Martín, Lorena; Arauzo, Jesús; Sanchez, Jose Luis

    2014-07-01

    In the present work, several fatty acid methyl esters (FAME) have been synthesized from various fatty acid feedstocks: used frying olive oil, pork fat, soybean, rapeseed, sunflower and coconut. The oxidation stabilities of the biodiesel samples and of several blends have been measured simultaneously by both the Rancimat method, accepted by EN14112 standard, and the PetroOXY method, prEN16091 standard, with the aim of finding a correlation between both methodologies. Other biodiesel properties such as composition, cold filter plugging point (CFPP), flash point (FP) and kinematic viscosity have also been analyzed using standard methods in order to further characterize the biodiesel produced. In addition, the effect on the biodiesel properties of using 4-allyl-2,6-dimetoxiphenol and cathecol as additives in biodiesel blends with rapeseed and with soybean has also been analyzed. The use of both antioxidants results in a considerable improvement in the oxidation stability of both types of biodiesel, especially using cathecol. Adding cathecol loads as low as 0.05 % (m/m) in blends with soybean biodiesel and as low as 0.10 % (m/m) in blends with rapeseed biodiesel is sufficient for the oxidation stabilities to comply with the restrictions established by the European EN14214 standard.An empirical linear equation is proposed to correlate the oxidation stability by the two methods, PetroOXY and Rancimat. It has been found that the presence of either cathecol or 4-allyl-2,6-dimetoxiphenol as additives affects the correlation observed.

  13. The interaction of sterically stabilized magnetic nanoparticles with fresh human red blood cells

    PubMed Central

    Pham, Binh TT; Jain, Nirmesh; Kuchel, Philip W; Chapman, Bogdan E; Bickley, Stephanie A; Jones, Stephen K; Hawkett, Brian S

    2015-01-01

    Sterically stabilized superparamagnetic iron oxide nanoparticles (SPIONs) were incubated with fresh human erythrocytes (red blood cells [RBCs]) to explore their potential application as magnetic resonance imaging contrast agents. The chemical shift and linewidth of 133Cs+ resonances from inside and outside the RBCs in 133Cs nuclear magnetic resonance spectra were monitored as a function of time. Thus, we investigated whether SPIONs of two different core sizes and with three different types of polymeric stabilizers entered metabolically active RBCs, consuming glucose at 37°C. The SPIONs broadened the extracellular 133Cs+ nuclear magnetic resonance, and brought about a small change in its chemical shift to a higher frequency; while the intracellular resonance remained unchanged in both amplitude and chemical shift. This situation pertained over incubation times of up to 90 minutes. If the SPIONs had entered the RBCs, the intracellular resonance would have become broader and possibly even shifted. Therefore, we concluded that our SPIONs did not enter the RBCs. In addition, the T2 relaxivity of the small and large particles was 368 and 953 mM−1 s−1, respectively (three and nine times that of the most effective commercially available samples). This suggests that these new SPIONs will provide a superior performance to any others reported thus far as magnetic resonance imaging contrast agents. PMID:26604741

  14. Protein interactions central to stabilizing the K[superscript +] channel selectivity filter in a four-sited configuration for selective K[superscript +] permeation

    SciTech Connect

    Sauer, David B.; Zeng, Weizhong; Raghunathan, Srinivasan; Jiang, Youxing

    2011-11-18

    The structural and functional conversion of the nonselective NaK channel to a K{sup +} selective channel (NaK2K) allows us to identify two key residues, Tyr and Asp in the filter sequence of TVGYGD, that participate in interactions central to stabilizing the K{sup +} channel selectivity filter. By using protein crystallography and channel electrophysiology, we demonstrate that the K{sup +} channel filter exists as an energetically strained structure and requires these key protein interactions working in concert to hold the filter in the precisely defined four-sited configuration that is essential for selective K{sup +} permeation. Disruption of either interaction, as tested on both the NaK2K and eukaryotic K{sub v}1.6 channels, can reduce or completely abolish K{sup +} selectivity and in some cases may also lead to channel inactivation due to conformational changes at the filter. Additionally, on the scaffold of NaK we recapitulate the protein interactions found in the filter of the Kir channel family, which uses a distinct interaction network to achieve similar stabilization of the filter.

  15. Carbon stabilization and microbial growth in acidic mine soils after addition of different amendments for soil reclamation

    NASA Astrophysics Data System (ADS)

    Zornoza, Raúl; Acosta, Jose; Ángeles Muñoz, María; Martínez-Martínez, Silvia; Faz, Ángel; Bååth, Erland

    2016-04-01

    The extreme soil conditions in metalliferous mine soils have a negative influence on soil biological activity and therefore on soil carbon estabilization. Therefore, amendments are used to increase organic carbon content and activate microbial communities. In order to elucidate some of the factors controlling soil organic carbon stabilization in reclaimed acidic mine soils and its interrelationship with microbial growth and community structure, we performed an incubation experiment with four amendments: pig slurry (PS), pig manure (PM) and biochar (BC), applied with and without marble waste (MW; CaCO3). Results showed that PM and BC (alone or together with MW) contributed to an important increment in recalcitrant organic C, C/N ratio and aggregate stability. Bacterial and fungal growths were highly dependent on pH and labile organic C. PS supported the highest microbial growth; applied alone it stimulated fungal growth, and applied with MW it stimulated bacterial growth. BC promoted the lowest microbial growth, especially for fungi, with no significant increase in fungal biomass. MW+BC increased bacterial growth up to values similar to PM and MW+PM, suggesting that part of the biochar was degraded, at least in short-term mainly by bacteria rather than fungi. PM, MW+PS and MW+PM supported the highest microbial biomass and a similar community structure, related with the presence of high organic C and high pH, with immobilization of metals and increased soil quality. BC contributed to improved soil structure, increased recalcitrant organic C, and decreased metal mobility, with low stimulation of microbial growth.

  16. Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework

    NASA Astrophysics Data System (ADS)

    Liu, Xiaofei; Hermann, Jan; Tkatchenko, Alexandre

    2016-12-01

    Stimuli-responsive metal-organic frameworks (MOFs) and other framework materials exhibit a broad variety of useful properties, which mainly stem from an interplay of strong covalent bonds within the organic linkers with presumably weak van der Waals (vdW) interactions which determine the overall packing of the framework constituents. Using Ag3Co(CN)6 as a fundamental test case—a system with a colossal positive and negative thermal expansion [A. L. Goodwin et al., Science 319, 794 (2008)]—we demonstrate that its structure, stability, dielectric, vibrational, and mechanical properties are critically influenced by many-body electronic correlation contributions to non-covalent vdW interactions. The Ag3Co(CN)6 framework is a remarkable molecular crystal, being visibly stabilized, rather than destabilized, by many-body vdW correlations. A detailed comparison with H3Co(CN)6 highlights the crucial role of strongly polarized metallophilic interactions in dictating the exceptional properties of denser MOFs. Beyond MOFs, our findings indicate that many-body electronic correlations can substantially stabilize polarizable materials, providing a novel mechanism for tuning the properties of nanomaterials with intricate structural motifs.

  17. Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.

    PubMed

    Liu, Xiaofei; Hermann, Jan; Tkatchenko, Alexandre

    2016-12-28

    Stimuli-responsive metal-organic frameworks (MOFs) and other framework materials exhibit a broad variety of useful properties, which mainly stem from an interplay of strong covalent bonds within the organic linkers with presumably weak van der Waals (vdW) interactions which determine the overall packing of the framework constituents. Using Ag3Co(CN)6 as a fundamental test case-a system with a colossal positive and negative thermal expansion [A. L. Goodwin et al., Science 319, 794 (2008)]-we demonstrate that its structure, stability, dielectric, vibrational, and mechanical properties are critically influenced by many-body electronic correlation contributions to non-covalent vdW interactions. The Ag3Co(CN)6 framework is a remarkable molecular crystal, being visibly stabilized, rather than destabilized, by many-body vdW correlations. A detailed comparison with H3Co(CN)6 highlights the crucial role of strongly polarized metallophilic interactions in dictating the exceptional properties of denser MOFs. Beyond MOFs, our findings indicate that many-body electronic correlations can substantially stabilize polarizable materials, providing a novel mechanism for tuning the properties of nanomaterials with intricate structural motifs.

  18. Aurora-A kinase phosphorylation of Aurora-A kinase interacting protein (AIP) and stabilization of the enzyme-substrate complex.

    PubMed

    Katayama, Hiroshi; Sasai, Kaori; Czerniak, Bogdan A; Carter, Jennifer L; Sen, Subrata

    2007-12-01

    Aurora-A is an oncogenic kinase that plays essential roles in mitosis as well as cell survival. Aurora-A interacting protein (AIP) was identified as a negative regulator of Aurora-A with its ectopic over expression inducing destabilization of Aurora-A protein. Here we present evidence that in human cells, contrary to the earlier report, AIP functions in stabilizing rather than destabilizing Aurora-A. Furthermore, AIP is phosphorylated on Serine 70 by Aurora-A but not Aurora-B and expression of phosphorylation mimic mutant of AIP results in prolonged protein stability compared to unphosphorylatable mutant. We observed that when co-expressed with AIP, protein levels of both Aurora-A and Aurora-B are markedly elevated regardless of their kinase activities and phosphorylation state of AIP. Interaction of Aurora kinases with AIP is necessary for this elevated stability. This phenomenon is commonly detected in several human cancer cell lines used in this study. Depletion of AIP by RNA interference decreased Aurora-A but not Aurora-B in two of the three cell lines analyzed, indicating that under physiological condition, AIP functions in stabilization of Aurora-A but not Aurora-B, though this regulation may be dependent on additional factors as well. Further, AIP siRNA induced cell cycle arrest at G2/M, which is consistent with anticipated loss of function of Aurora-A in these cells. Thus, our study provides the first evidence of a role for AIP in G2/M cell cycle progression by cooperatively regulating protein stabilization of its up-stream regulator, Aurora-A kinase through protein-protein interaction as well as protein phosphorylation.

  19. Non-equilibrium fluctuations and metastability arising from non-additive interactions in dissipative multi-component Rydberg gases

    NASA Astrophysics Data System (ADS)

    Gutiérrez, Ricardo; Garrahan, Juan P.; Lesanovsky, Igor

    2016-09-01

    We study the out-of-equilibrium dynamics of dissipative gases of atoms excited to two or more high-lying Rydberg states. This situation bears interesting similarities to classical binary (in general p-ary) mixtures of particles. The effective forces between the components are determined by the inter-level and intra-level interactions of Rydberg atoms. These systems permit to explore new parameter regimes which are physically inaccessible in a classical setting, for example one in which the mixtures exhibit non-additive interactions. In this situation the out-of-equilibrium evolution is characterized by the formation of metastable domains that reach partial equilibration long before the attainment of stationarity. In experimental settings with mesoscopic sizes, this collective behavior may in fact take the appearance of dynamic symmetry breaking.

  20. The additive and interactive effects of parenting and temperament in predicting adjustment problems of children of divorce.

    PubMed

    Lengua, L J; Wolchik, S A; Sandler, I N; West, S G

    2000-06-01

    Investigated the interaction between parenting and temperament in predicting adjustment problems in children of divorce. The study utilized a sample of 231 mothers and children, 9 to 12 years old, who had experienced divorce within the previous 2 years. Both mothers' and children's reports on parenting, temperament, and adjustment variables were obtained and combined to create cross-reporter measures of the variables. Parenting and temperament were directly and independently related to outcomes consistent with an additive model of their effects. Significant interactions indicated that parental rejection was more strongly related to adjustment problems for children low in positive emotionality, and inconsistent discipline was more strongly related to adjustment problems for children high in impulsivity. These findings suggest that children who are high in impulsivity may be at greater risk for developing problems, whereas positive emotionality may operate as a protective factor, decreasing the risk of adjustment problems in response to negative parenting.

  1. Heat treatment and the use of additives to improve the stability of paralytic shellfish poisoning toxins in shellfish tissue reference materials for internal quality control and proficiency testing.

    PubMed

    Burrell, Stephen; Clion, Valentin; Auroy, Virginie; Foley, Barry; Turner, Andrew D

    2015-06-01

    The need for homogenous reference materials stable for paralytic shellfish toxins is vital for the monitoring and quality assurance of these potent neurotoxins in shellfish. Two stabilisation techniques were investigated, heat treatment through autoclaving and the addition of preserving additives into the tissue matrix. Short and long-term stability experiments as well as homogeneity determination were conducted on materials prepared by both techniques in comparison with an untreated control using two LC-FLD methods. Both techniques improved the stability of the matrix and the PSP toxins present compared to the controls. A material was prepared using the combined techniques of heat treatment followed by spiking with additives and data is presented from this optimised reference material as used over a two year period in the Irish national monitoring program and in a development exercise as part of a proficiency testing scheme operated by QUASIMEME (Quality Assurance of Information for Marine Environmental Monitoring in Europe) since 2011. The results were indicative of the long-term stability of the material as evidenced through consistent assigned values in the case of the proficiency testing scheme and a low relative standard deviation of 10.5% for total toxicity data generated over 24 months.

  2. Alumina interaction with AMPS-MPEG copolymers produced by RAFT polymerization: stability and rheological behavior.

    PubMed

    Bouhamed, H; Boufi, S; Magnin, A

    2009-05-01

    Different copolymers of 2-acrylamido-2-methylpropanesulfonic acid sodium salt (AMPS), methoxypolyethyleneglycol methacrylate (MPEG), were prepared using two methods of radical polymerization: classical and RAFT-controlled radical polymerization. The effect of polymer structure and architecture on the adsorption behavior, electrokinetic and rheological properties of the alumina suspensions was investigated. Adsorption isotherms showed that copolymer interaction depended not only on the ratio of the monomers and their distribution within the macromolecular backbone, but also on the method of copolymerization. Electrokinetic analysis indicated that adsorption of the copolymer is accompanied by a shift in the isoelectric point (IEP) towards acid pH values. Above a certain concentration, of the order of 1 wt%, the absolute value of the zeta-potential reaches a saturation plateau. At this stage, the maximum zeta-potential value (in absolute value) depends on both the ratio of the monomers for statistical copolymer and the length of the two blocks in the case of block distribution. The rheological behavior is greatly affected in the presence of added polymer; the viscosity of the alumina suspension decreases and reaches an optimum, which depends on both the ratio of the monomers and their distribution within the macromolecular backbone. The viscoelastic properties of the suspensions were found to be functions of both the structure and the architecture of the copolymer. Adding AMPS-MPEG copolymer increases the stability of the suspension via electrostatic effects, but also via steric effects induced by the polyethylene glycol (PEG) segments. The steric contribution to the stabilization process is much important in the presence of block distribution, which is more efficient as dispersant for concentrated alumina suspensions.

  3. Surface-supported Ag islands stabilized by a quantum size effect: Their interaction with small molecules relevant to ethylene epoxidation

    SciTech Connect

    Shao, Dahai

    2013-05-15

    This dissertation focuses on how QSE-stabilized, surface-supported Ag nanoclusters will interact with ethylene or oxygen. Experiments are performed to determine whether the QSE-mediated Ag islands react differently toward adsorption of ethylene or oxygen, or whether the adsorption of these small molecules will affect the QSE-mediated stability of Ag islands. Studies of the interaction of oxygen with Ag/Si(111)-7×7 were previously reported, but these studies were performed at a low Ag coverage where 3D Ag islands were not formed. So the study of such a system at a higher Ag coverage will be a subject of this work. The interaction of ethylene with Ag/Si(111)-7×7, as well as the interaction of oxygen with Ag/NiAl(110) are also important parts of this study.

  4. Combining long term field experiments and nanoscale analysis to enhance process understanding of root litter stabilization by mineral interactions

    NASA Astrophysics Data System (ADS)

    Chabbi, Abad; Baumann, Karen; Remusat, Laurent; Barre, Pierre; Dignac, Marie-France; Rumpel, Cornelia

    2015-04-01

    stabilised OM may consist primarily of microbial cells. Thus our study is consistent with the microbial efficiency-matrix stabilisation (MEMS) hypothesis (Cotrufo et al., 2013), which says that microbial use efficiency determines stabilisation through interaction with the mineral phase. It also shows the importance of using long term field observations in addition to short term laboratory studies. Reference Cotrufo, M.F., Wallenstein, M.D., Boot, C., Denef, K., Paul, E., 2013. The microbial efficiency-matrix stabilisation (MEMS) framework integrates plant litter decomposition with soil organic matter stabilization: do labile plant inputs form stable organic matter? Global Change Biology, 19, 988-995.

  5. Improvement of stability and carotenoids fraction of virgin olive oils by addition of microalgae Scenedesmus almeriensis extracts.

    PubMed

    Limón, Piedad; Malheiro, Ricardo; Casal, Susana; Acién-Fernández, F Gabriel; Fernández-Sevilla, José M; Rodrigues, Nuno; Cruz, Rebeca; Bermejo, Ruperto; Pereira, José Alberto

    2015-05-15

    Humans are not capable of synthesizing carotenoids de novo and thus, their presence in human tissues is entirely of dietary origin. Consumption of essential carotenoids is reduced due to the lower intake of fruits and vegetables. Microalgae are a good source of carotenoids that can be exploited. In the present work, carotenoids rich extracts from Scenedesmus almeriensis were added to extra-virgin olive oils at different concentrations (0.1 and 0.21 mg/mL) in order to enhance the consumption of these bioactives. Extracts brought changes in olive oils color, turning them orange-reddish. Quality of olive oils was improved, since peroxidation was inhibited. Olive oils fatty acids and tocopherols were not affected. β-carotene and lutein contents increase considerably, as well as oxidative stability, improving olive oils shelf-life and nutritional value. Inclusion of S. almeriensis extracts is a good strategy to improve and enhance the consumption of carotenoids, since olive oil consumption is increasing.

  6. Effect of ultrasound treatment, oil addition and storage time on lycopene stability and in vitro bioaccessibility of tomato pulp.

    PubMed

    Anese, Monica; Bot, Francesca; Panozzo, Agnese; Mirolo, Giorgio; Lippe, Giovanna

    2015-04-01

    This study was performed to investigate the influence of ultrasound processing on tomato pulp containing no sunflower oil, or increasing amounts (i.e. 2.5%, 5% and 10%), on lycopene concentration and in vitro bioaccessibility at time zero and during storage at 5 °C. Results confirmed previous findings in that ultrasonication was responsible for cell breakage and subsequent lycopene release in a highly viscous matrix. Neither the ultrasound process nor oil addition affected lycopene concentration. A decrease of approximately 35% lycopene content occurred at storage times longer than 15 days, due to isomerisation and oxidation reactions. No differences in lycopene in vitro bioaccessibility were found between the untreated and ultrasonically treated samples; this parameter decreased as a consequence of oil addition. Losses of lycopene in vitro bioaccessibility ranging between 50% and 80% occurred in the untreated and ultrasonically treated tomato pulps with and without oil during storage, mainly due to carotenoid degradation.

  7. Transition states and energetics of nucleophilic additions of thiols to substituted α,β-unsaturated ketones: substituent effects involve enone stabilization, product branching, and solvation.

    PubMed

    Krenske, Elizabeth H; Petter, Russell C; Zhu, Zhendong; Houk, K N

    2011-06-17

    CBS-QB3 enthalpies of reaction have been computed for the conjugate additions of MeSH to six α,β-unsaturated ketones. Compared with addition to methyl vinyl ketone, the reaction becomes 1-3 kcal mol(-1) less exothermic when an α-Me, β-Me, or β-Ph substituent is present on the C=C bond. The lower exothermicity for the substituted enones occurs because the substituted reactant is stabilized more by hyperconjugation or conjugation than the product is stabilized by branching. Substituent effects on the activation energies for the rate-determining step of the thiol addition (reaction of the enone with MeS(-)) were also computed. Loss of reactant stabilization, and not steric hindrance, is the main factor responsible for controlling the relative activation energies in the gas phase. The substituent effects are further magnified in solution; in water (simulated by CPCM calculations), the addition of MeS(-) to an enone is disfavored by 2-6 kcal mol(-1) when one or two methyl groups are present on the C=C bond (ΔΔG(‡)). The use of CBS-QB3 gas-phase energies in conjunction with CPCM solvation corrections provides kinetic data in good agreement with experimental substituent effects. When the energetics of the thiol additions were calculated with several popular density functional theory and ab initio methods (B3LYP, MPW1PW91, B1B95, PBE0, B2PLYP, and MP2), some substantial inaccuracies were noted. However, M06-2X (with a large basis set), B2PLYP-D, and SCS-MP2 gave results within 1 kcal mol(-1) of the CBS-QB3 benchmark values.

  8. Interactive wiimote gaze stabilization exercise training system for patients with vestibular hypofunction

    PubMed Central

    2012-01-01

    Background Peripheral vestibular hypofunction is a major cause of dizziness. When complicated with postural imbalance, this condition can lead to an increased incidence of falls. In traditional clinical practice, gaze stabilization exercise is commonly used to rehabilitate patients. In this study, we established a computer-aided vestibular rehabilitation system by coupling infrared LEDs to an infrared receiver. This system enabled the subjects’ head-turning actions to be quantified, and the training was performed using vestibular exercise combined with computer games and interactive video games that simulate daily life activities. Methods Three unilateral and one bilateral vestibular hypofunction patients volunteered to participate in this study. The participants received 30 minutes of computer-aided vestibular rehabilitation training 2 days per week for 6 weeks. Pre-training and post-training assessments were completed, and a follow-up assessment was completed 1 month after the end of the training period. Results After 6 weeks of training, significant improvements in balance and dynamic visual acuity (DVA) were observed in the four participants. Self-reports of dizziness, anxiety and depressed mood all decreased significantly. Significant improvements in self-confidence and physical performance were also observed. The effectiveness of this training was maintained for at least 1 month after the end of the training period. Conclusion Real-time monitoring of training performance can be achieved using this rehabilitation platform. Patients demonstrated a reduction in dizziness symptoms after 6 weeks of training with this short-term interactive game approach. This treatment paradigm also improved the patients’ balance function. This system could provide a convenient, safe and affordable treatment option for clinical practitioners. PMID:23043886

  9. Interplay of donor-acceptor interactions in stabilizing boron nitride compounds: insights from theory.

    PubMed

    Momeni, Mohammad R; Shulman, Lisa; Rivard, Eric; Brown, Alex

    2015-07-07

    The stability of a variety of linear and cyclic (BN)n (n = 1-3) adducts with N-heterocyclic carbene (ImMe2; ImMe2 = [(HCNMe)2C:]), N-heterocyclic olefin (ImMe2CH2) and Wittig (Me3PCH2) donors has been examined using M05-2X/cc-pVTZ computations. The strength and nature of the bonds have been investigated using natural bond orbital (NBO) and atoms-in-molecules (AIM) analyses. Complementary energy decomposition analysis (EDA-NOCV) has been carried out based on BP86/TZ2P computations. In agreement with NBO and AIM analyses, the orbital interaction energy obtained from EDA contributes at least 50% to the total attractive interactions for the carbon-boron bonds indicating their largely covalent nature. The feasibility of isolating monomeric (BN)n units using a donor/acceptor protocol was also investigated in a series of adducts of the general form: LB·(BN)n·BH3 and LB·(BN)n·W(CO)5 (n = 1-3; LB = Lewis bases). Moreover, EDA-NOCV analysis of ImMe2·BN·W(CO)5 and ImMe2·B3N3·W(CO)5 shows that the carbene-boron bonds are stronger in the presence of W(CO)5 as a Lewis acid mainly because of a dramatic decrease in the amount of Pauli repulsion rather than an increase in the electrostatic/orbital attraction terms.

  10. Understanding the effects of a multi-functionalized additive on the cathode-electrolyte interfacial stability of Ni-rich materials

    NASA Astrophysics Data System (ADS)

    Yim, Taeeun; Kang, Kyoung Seok; Mun, Junyoung; Lim, Sang Hoo; Woo, Sang-Gil; Kim, Ki Jae; Park, Min-Sik; Cho, Woosuk; Song, Jun Ho; Han, Young-Kyu; Yu, Ji-Sang; Kim, Young-Jun

    2016-01-01

    Nickel-rich lithium nickel cobalt manganese oxides have received considerable attention as a promising cathode material, however, they have suffered from poor interfacial stability, especially at high temperature. Here, we suggest a bi-functionalized divinyl sulfone that enhances the applicability of a nickel-rich cathode via stabilization of the electrolyte-electrode interface. The divinyl sulfone forms a protective layer on the cathode surface by electrochemical oxidation reactions and this greatly decreases the internal pressure of the cell via stabilization of the Ni-rich cathode-electrolyte interface. The cell controlled with divinyl sulfone shows remarkable cycling performance with 91.9% capacity retention at elevated temperature even after 100 cycles. Additional electrode analyses and first-principles calculations provide critical spectroscopic evidences to demonstrate the combined effects of the sulfone and vinyl functional groups. Once the divinyl sulfone is electrochemically oxidized, the vinyl functional groups readily participate in further stabilizing sulfone-based solid electrolyte interphase intermediates and afford a durable protective layer on the nickel-rich electrode surface.

  11. Molecular stabilization effects of interactions between anti-metatype antibodies and liganded antibody.

    PubMed

    Weidner, K M; Denzin, L K; Voss, E W

    1992-05-25

    Anti-metatype antibodies have been described as antibodies which recognize ligand-induced conformational changes in the antibody variable region. Additionally, anti-metatype antibodies, produced by multiple immunizations with liganded high affinity monoclonal anti-fluorescein antibody 4-4-20, enhanced the lifetime of monoclonal antibody 4-4-20-fluorescein complex. To better understand the mechanism of the delayed dissociation rate, deuterium oxide was used to probe the liganded active site. The rate and extent of deuterium oxide-mediated fluorescence enhancement of bound ligand served to monitor the conformational dynamics of the active site in the presence and absence of anti-metatype antibodies. Results showed that anti-metatype antibodies reduced the rate and extent of deuterium oxide-mediated fluorescence enhancement of 4-4-20, a single-chain derivative of 4-4-20 (consisting of the variable domains and a polylinker), and idiotypically related monoclonal anti-fluorescein antibodies suggesting that anti-metatype stabilized the liganded active site. Size exclusion liquid chromatography was utilized to isolate the liganded antibody-anti-metatype complex. Liganded single chain antibody 4-4-20 was mixed with 10-fold molar excess anti-metatype Fab fragments, and a major complex eluted with an apparent M(r) 249,000. The apparent molecular weight of this complex inferred that one liganded single chain antibody was bound by five antimetatype Fab fragments. Spectral analysis confirmed these results and the characteristic delayed rate of ligand dissociation was also observed for the isolated complex. The results suggest that anti-metatype antibodies stabilize the liganded conformation by forming a large, stable, macromolecular complex.

  12. Exploring the Stability of Gold Nanoparticles by Experimenting with Adsorption Interactions of Nanomaterials in an Undergraduate Lab

    ERIC Educational Resources Information Center

    Lee, Chi-Feng; You, Pei-Yun; Lin, Ying-Chiao; Hsu, Tsai-Ling; Cheng, Pi-Yun; Wu, Yu-Xuan; Tseng, Chi-Shun; Chen, Sheng-Wen; Chang, Huey-Por; Lin, Yang-Wei

    2015-01-01

    The proposed experiment can help students to understand the factors involved in the stability of gold nanoparticles (Au NPs) by exploring the adsorption interaction between Au NPs and various substances. The students in this study found that the surface plasmon resonance band of Au NP solutions underwent a red shift (i.e., from 520 to 650 nm)…

  13. Molecular Control of Vascular Tube Morphogenesis and Stabilization: Regulation by Extracellular Matrix, Matrix Metalloproteinases, and Endothelial Cell-Pericyte Interactions

    NASA Astrophysics Data System (ADS)

    Davis, George E.; Stratman, Amber N.; Sacharidou, Anastasia

    Recent studies have revealed a critical role for both extracellular matrices and matrix metalloproteinases in the molecular control of vascular morphogenesis and stabilization in three-dimensional (3D) tissue environments. Key interactions involve endothelial cells (ECs) and pericytes, which coassemble to affect vessel formation, remodeling, and stabilization events during development and postnatal life. EC-pericyte interactions control extracellular matrix remodeling events including vascular basement membrane matrix assembly, a necessary step for endothelial tube maturation and stabilization. ECs form tube networks in 3D extracellular matrices in a manner dependent on integrins, membrane-type metalloproteinases, and the Rho GTPases, Cdc42 and Rac1. Recent work has defined an EC lumen signaling complex of proteins composed of these proteins that controls 3D matrix-specific signaling events required for these processes. The EC tube formation process results in the creation of a network of proteolytically generated vascular guidance tunnels. These tunnels are physical matrix spaces that regulate vascular tube remodeling and represent matrix conduits into which pericytes are recruited to allow dynamic cell-cell interactions with ECs. These dynamic EC-pericyte interactions induce vascular basement membrane matrix deposition, leading to vessel maturation and stabilization.

  14. Structural and thermal stability of beta-lactoglobulin as a result of interacting with sugar beet pectin

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The effect of interaction on the structure and stability of beta-lactoglobulin (beta-LG) with beta-sugar beet pectin (beta-SBP) has been studied by circular dichroism (CD), infrared spectroscopy (FT-IR) and steady-state as well as time-resolved fluorescence spectroscopy at pH 6.75, and low ionic str...

  15. Interaction of Acetylcholinesterase with Neurexin-1β regulates Glutamatergic Synaptic stability in Hippocampal neurons

    PubMed Central

    2014-01-01

    Background Excess expression of acetylcholinesterase (AChE) in the cortex and hippocampus causes a decrease in the number of glutamatergic synapses and alters the expression of neurexin and neuroligin, trans-synaptic proteins that control synaptic stability. The molecular sequence and three-dimensional structure of AChE are homologous to the corresponding aspects of the ectodomain of neuroligin. This study investigated whether excess AChE interacts physically with neurexin to destabilize glutamatergic synapses. Results The results showed that AChE clusters colocalized with neurexin assemblies in the neurites of hippocampal neurons and that AChE co-immunoprecipitated with neurexin from the lysate of these neurons. Moreover, when expressed in human embryonic kidney 293 cells, N-glycosylated AChE co-immunoprecipitated with non-O–glycosylated neurexin-1β, with N-glycosylation of the AChE being required for this co-precipitation to occur. Increasing extracellular AChE decreased the association of neurexin with neuroligin and inhibited neuroligin-induced synaptogenesis. The number and activity of excitatory synapses in cultured hippocampal neurons were reduced by extracellular catalytically inactive AChE. Conclusions Excessive glycosylated AChE could competitively disrupt a subset of the neurexin–neuroligin junctions consequently impairing the integrity of glutamatergic synapses. This might serve a molecular mechanism of excessive AChE induced neurodegeneration. PMID:24594013

  16. Resveratrol serves as a protein-substrate interaction stabilizer in human SIRT1 activation

    PubMed Central

    Hou, Xuben; Rooklin, David; Fang, Hao; Zhang, Yingkai

    2016-01-01

    Resveratrol is a natural compound found in red wine that has been suggested to exert its potential health benefit through the activation of SIRT1, a crucial member of the mammalian NAD+-dependent deacetylases. SIRT1 has emerged as an attractive therapeutic target for many aging related diseases, however, how its activity can only be activated toward some specific substrates by resveratrol has been poorly understood. Herein, by employing extensive molecular dynamics simulations as well as fragment-centric topographical mapping of binding interfaces, we have clarified current controversies in the literature and elucidated that resveratrol plays an important activation role by stabilizing SIRT1/peptide interactions in a substrate-specific manner. This new mechanism highlights the importance of the N-terminal domain in substrate recognition, explains the activity restoration role of resveratrol toward some “loose-binding” substrates of SIRT1, and has significant implications for the rational design of new substrate-specific SIRT1 modulators. PMID:27901083

  17. Contrasting the beam interaction characteristics of selected lasers with a partially stabilized zirconia bio-ceramic

    NASA Astrophysics Data System (ADS)

    Lawrence, J.

    2002-08-01

    Differences in the beam interaction characteristics of a CO2 laser, a Nd : YAG laser, a high power diode laser (HPDL) and an excimer laser with a partially stabilized zirconia bio-ceramic have been studied. A derivative of Beer-Lambert's law was applied and the laser beam absorption lengths of the four lasers were calculated as 33.55×10-3 cm for the CO2 laser, 18.22×10-3 cm for the Nd : YAG laser, 17.17×10-3 cm for the HPDL and 8.41×10-6 cm for the excimer laser. It was determined graphically that the fluence threshold values at which significant material removal was effected by the CO2 laser, the Nd : YAG laser, the HPDL and the excimer laser were 52 J cm-2, 97 J cm-2, 115 J cm-2 and 0.48 J cm-2, respectively. The thermal loading value for the CO2 laser, the Nd : YAG laser, the HPDL and the excimer laser were calculated as being 1.55 kJ cm-3, 5.32 kJ cm3, 6.69 kJ cm-3 and 57.04 kJ cm-3, respectively.

  18. Size-Dependent Protein-Nanoparticle Interactions in Citrate-Stabilized Gold Nanoparticles: The Emergence of the Protein Corona.

    PubMed

    Piella, Jordi; Bastús, Neus G; Puntes, Víctor

    2017-01-18

    Surface modifications of highly monodisperse citrate-stabilized gold nanoparticles (AuNPs) with sizes ranging from 3.5 to 150 nm after their exposure to cell culture media supplemented with fetal bovine serum were studied and characterized by the combined use of UV-vis spectroscopy, dynamic light scattering, and zeta potential measurements. In all the tested AuNPs, a dynamic process of protein adsorption was observed, evolving toward the formation of an irreversible hard protein coating known as Protein Corona. Interestingly, the thickness and density of this protein coating were strongly dependent on the particle size, making it possible to identify different transition regimes as the size of the particles increased: (i) NP-protein complexes (or incomplete corona), (ii) the formation of a near-single dense protein corona layer, and (iii) the formation of a multilayer corona. In addition, the different temporal patterns in the evolution of the protein coating came about more quickly for small particles than for the larger ones, further revealing the significant role that size plays in the kinetics of this process. Since the biological identity of the NPs is ultimately determined by the protein corona and different NP-biological interactions take place at different time scales, these results are relevant to biological and toxicological studies.

  19. Formation and Stabilization of Environmentally Persistent Free Radicals Induced by the Interaction of Anthracene with Fe(III)-Modified Clays.

    PubMed

    Jia, Hanzhong; Nulaji, Gulimire; Gao, Hongwei; Wang, Fu; Zhu, Yunqing; Wang, Chuanyi

    2016-06-21

    Environmentally persistent free radicals (EPFRs) are occasionally detected in Superfund sites but the formation of EPFRs induced by polycyclic aromatic hydrocarbons (PAHs) is not well understood. In the present work, the formation of EPFRs on anthracene-contaminated clay minerals was quantitatively monitored via electron paramagnetic resonance (EPR) spectroscopy, and surface/interface-related environmental influential factors were systematically explored. The obtained results suggest that EPFRs are more readily formed on anthracene-contaminated Fe(III)-montmorillonite than in other tested systems. Depending on the reaction condition, more than one type of organic radicals including anthracene-based radical cations with g-factors of 2.0028-2.0030 and oxygenic carbon-centered radicals featured by g-factors of 2.0032-2.0038 were identified. The formed EPFRs are stabilized by their interaction with interlayer surfaces, and such surface-bound EPFRs exhibit slow decay with 1/e-lifetime of 38.46 days. Transformation pathway and possible mechanism are proposed on the basis of experimental results and quantum mechanical simulations. Overall, the formation of EPFRs involves single-electron-transfer from anthracene to Fe(III) initially, followed by H2O addition on formed aromatic radical cation. Because of their potential exposure in soil and atmosphere, such clay surface-associated EPFRs might induce more serious toxicity than PAHs and exerts significant impacts on human health.

  20. Models for Excluded Volume Interaction between an Unfolded Protein and Rigid Macromolecular Cosolutes: Macromolecular Crowding and Protein Stability Revisited

    PubMed Central

    Minton, Allen P.

    2005-01-01

    Statistical-thermodynamic models for the excluded volume interaction between an unfolded polypeptide chain and a hard sphere or hard rod cosolute are presented, permitting estimation of the free energy of transfer of a polypeptide chain with fixed radius of gyration from a dilute (ideal) solution to a solution containing volume fraction φ of either cosolute. Also presented is a general thermodynamic description of the equilibrium between a unique native state and a manifold of unfolded or partially unfolded states of a protein distinguished by their respective radii of gyration. Together with results of a Monte Carlo calculation of the distribution of radii of gyration of four different unfolded proteins published by Goldenberg in 2003, these models are used to estimate the effect of intermolecular excluded volume upon an experimentally measurable apparent two-state constant for equilibrium between native and nonnative conformations of each of the four proteins, and upon the experimentally measurable root mean-square radius of gyration of the unfolded protein. Model calculations predict that addition of inert cosolutes at volume fractions exceeding 0.1 stabilizes the native state relative to unfolded states by an amount that increases strongly with φ and with the size of the native protein relative to the size of inert cosolute, and results in significant compaction of the manifold of unfolded states. Predicted effects are in qualitative and/or semiquantitative accord with the results of several published experimental studies. PMID:15596487

  1. Stability of phenolic compounds, antioxidant activity and colour through natural sweeteners addition during storage of sour cherry puree.

    PubMed

    Nowicka, Paulina; Wojdyło, Aneta

    2016-04-01

    The aim of this study was to describe the changes in phenolic compounds, antioxidant activity and colour of sour cherry puree supplemented with different natural sweeteners (sucrose, palm sugar, erythritol, xylitol, steviol glycoside, Luo Han Kuo), and natural prebiotic (inulin). A total of 18 types of polyphenolic compounds were assessed in the following sour cherry puree by LC-MS-QTof analysis, before and after 6 months of storage at 4 °C and 30 °C. Total phenolics determined by UPLC-PDA-FL was 1179.6 mg/100 g dm. In samples with addition of sweeteners the content of phenolic compounds ranged from 1133.1 (puree with steviol glycoside) to 725.6 mg/100 g dm (puree with erythritol), and the content of these compounds strongly affected on antioxidant activity. After 6-month storage, protective effects of some additives (palm sugar, erythritol, steviol glycoside, xylitol and inulin) on the polyphenol content, especially on anthocyanins and consequently on colour, and antioxidant activity were noticed. The results showed that some natural sweeteners might be interesting from a nutritional as well as commercial and pharmaceutical perspective.

  2. Effects of metal salt addition on odor and process stability during the anaerobic digestion of municipal waste sludge.

    PubMed

    Abbott, Timothy; Eskicioglu, Cigdem

    2015-12-01

    Anaerobic digestion (AD) is an effective way to recover energy and nutrients from organic waste; however, several issues including the solubilization of bound nutrients and the production of corrosive, highly odorous and toxic volatile sulfur compounds (VSCs) in AD biogas can limit its wider adoption. This study explored the effects of adding two different doses of ferric chloride, aluminum sulfate and magnesium hydroxide directly to the feed of complete mix semi-continuously fed mesophilic ADs on eight of the most odorous VSCs in AD biogas at three different organic loading rates (OLR). Ferric chloride was shown to be extremely effective in reducing VSCs by up to 87%, aluminum sulfate had the opposite effect and increased VSC levels by up to 920%, while magnesium hydroxide was not shown to have any significant impact. Ferric chloride, aluminum sulfate and magnesium hydroxide were effective in reducing the concentration of orthophosphate in AD effluent although both levels of alum addition caused digester failure at elevated OLRs. Extensive foaming was observed within the magnesium hydroxide dosed digesters, particularly at higher doses and high OLRs. Certain metal salt additions may be a valuable tool in overcoming barriers to AD and to meet regulatory targets.

  3. Multiple Stressors in Agricultural Streams: A Mesocosm Study of Interactions among Raised Water Temperature, Sediment Addition and Nutrient Enrichment

    PubMed Central

    Piggott, Jeremy J.; Lange, Katharina; Townsend, Colin R.; Matthaei, Christoph D.

    2012-01-01

    Changes to land use affect streams through nutrient enrichment, increased inputs of sediment and, where riparian vegetation has been removed, raised water temperature. We manipulated all three stressors in experimental streamside channels for 30 days and determined the individual and pair-wise combined effects on benthic invertebrate and algal communities and on leaf decay, a measure of ecosystem functioning. We added nutrients (phosphorus+nitrogen; high, intermediate, natural) and/or sediment (grain size 0.2 mm; high, intermediate, natural) to 18 channels supplied with water from a nearby stream. Temperature was increased by 1.4°C in half the channels, simulating the loss of upstream and adjacent riparian shade. Sediment affected 93% of all biological response variables (either as an individual effect or via an interaction with another stressor) generally in a negative manner, while nutrient enrichment affected 59% (mostly positive) and raised temperature 59% (mostly positive). More of the algal components of the community responded to stressors acting individually than did invertebrate components, whereas pair-wise stressor interactions were more common in the invertebrate community. Stressors interacted often and in a complex manner, with interactions between sediment and temperature most common. Thus, the negative impact of high sediment on taxon richness of both algae and invertebrates was stronger at raised temperature, further reducing biodiversity. In addition, the decay rate of leaf material (strength loss) accelerated with nutrient enrichment at ambient but not at raised temperature. A key implication of our findings for resource managers is that the removal of riparian shading from streams already subjected to high sediment inputs, or land-use changes that increase erosion or nutrient runoff in a landscape without riparian buffers, may have unexpected effects on stream health. We highlight the likely importance of intact or restored buffer strips, both

  4. Interaction of Photobacterium leiognathi and Vibrio fischeri Y1 luciferases with fluorescent (antenna) proteins: bioluminescence effects of the aliphatic additive.

    PubMed

    Petushkov, V N; Ketelaars, M; Gibson, B G; Lee, J

    1996-09-17

    The kinetics of the bacterial bioluminescence reaction is altered in the presence of the fluorescent (antenna) proteins, lumazine protein (LumP) from Photobacterium or the yellow fluorescence proteins (YFP) having FMN or Rf bound, from Vibrio fischeri strain Y1. Depending on reaction conditions, the bioluminescence intensity and its decay rate may be either enhanced or strongly quenched in the presence of the fluorescent proteins. These effects can be simply explained on the basis of the same protein-protein complex model that accounts for the bioluminescence spectral shifts induced by these fluorescent proteins. In such a complex, where the fluorophore evidently is in proximity to the luciferase active site, it is expected that the on-off rate of certain aliphatic components of the reaction should be altered with a consequent shift in the equilibria among the luciferase intermediates, as recently elaborated in a kinetic scheme. These aliphatic components are the bioluminescence reaction substrate, tetradecanal or other long-chain aldehyde, its carboxylic acid product, or dodecanol used as a stabilizer of the luciferase peroxyflavin. No evidence can be found for the protein-protein interaction in the absence of the aliphatic component.

  5. Effects of Mo addition on thermal stability and magnetic properties of a ferromagnetic Fe75P10C10B5 metallic glass

    NASA Astrophysics Data System (ADS)

    Zhang, Wei; Jia, Xingjie; Li, Yanhui; Fang, Canfeng

    2014-05-01

    The effects of Mo content on the thermal stability, glass-forming ability (GFA), magnetic and mechanical properties of Fe75-xMoxP10C10B5 (x = 0-10) metallic glasses were investigated. The stabilization of supercooled liquid and GFA were significantly enhanced by addition of Mo. Although the saturation magnetization (Is) of the alloys reduced with increasing Mo content, the coercive force (Hc) decreased. The metallic glasses with x = 2.5-7.5 exhibit low glass transition temperature of 733-749 K, large supercooled liquid region of 61-96 K, and high GFA with critical fully glassy sample diameters of 1.5-3.0 mm. They also possess rather high Is of 0.81-1.11 T, low Hc of 2.07-4.87 A/m, high Vicker's hardness of 860-992, high compressive yield strength of over 3000 MPa with a distinct plastic strain.

  6. Chemical stability and bioadhesive properties of an ester prodrug of Delta 9-tetrahydrocannabinol in poly(ethylene oxide) matrices: effect of formulation additives.

    PubMed

    Thumma, Sridhar; Majumdar, Soumyajit; ElSohly, Mahmoud A; Gul, Waseem; Repka, Michael A

    2008-10-01

    The objective of the present research was to stabilize a novel hemiglutarate ester prodrug of Delta(9)-tetrahydrocannabinol (THC), in polyethylene oxide (PEO) polymeric matrices produced by hot-melt fabrication, for systemic delivery of THC through the oral transmucosal route. For this purpose, the influence of pH modifiers and antioxidants employed as stabilizing agents in these matrices was investigated. Based on the stability studies, two final formulations were made, and the stability of the active was assessed in these systems. In addition, the bioadhesive properties of PEO matrices were studied as a function of bioadhesive polymer type and concentration, contact time, drug loading and wetting time. Of all of the polymers investigated, bioadhesion was highest with Carbopol 971p. Bioadhesion increased with bioadhesive polymer concentration and wetting time to a certain level beyond which there was no further contribution. Both the contact time and drug loading influenced the bioadhesion. Severe degradation of the prodrug was observed during storage, even at room temperature (75% at the end of 3 months). Incorporation of the stabilizing agents in the PEO matrices reduced the degradation of the prodrug considerably. Citric acid was the most effective of all of the pH modifiers studied. Among the various antioxidants utilized, degradation was observed least in presence of BHT and ascorbic acid. Only 7.6% and 8.2% of prodrug degraded in these matrices, respectively, as compared to the PEO-only matrices (59.4%) at the end of 3 months at 25 degrees C/60% RH. The prodrug was very stable in both of the final formulations at the end of the 3 months at 40 degrees C/75% RH.

  7. Chemical Stability and Bioadhesive Properties of an Ester Prodrug of Δ9-Tetrahydrocannabinol in Poly (Ethylene Oxide) Matrices: Effect of Formulation Additives

    PubMed Central

    Thumma, Sridhar; Majumdar, Soumyajit; ElSohly, Mahmoud A.; Gul, Waseem; Repka, Michael A.

    2008-01-01

    The objective of the present research was to stabilize a novel hemiglutarate ester prodrug of Δ9-tetrahydrocannabinol (THC), in polyethylene oxide (PEO) polymeric matrices produced by hot-melt fabrication, for systemic delivery of THC through the oral transmucosal route. For this purpose, the influence of pH modifiers and antioxidants employed as stabilizing agents in these matrices was investigated. Based on the stability studies, two final formulations were made, and the stability of the active was assessed in these systems. In addition, the bioadhesive properties of PEO matrices were studied as a function of bioadhesive polymer type and concentration, contact time, drug loading and wetting time. Of all of the polymers investigated, bioadhesion was highest with Carbopol® 971p. Bioadhesion increased with bioadhesive polymer concentration and wetting time to a certain level beyond which there was no further contribution. Both the contact time and drug loading influenced the bioadhesion. Severe degradation of the prodrug was observed during storage, even at room temperature (75% at the end of 3 months). Incorporation of the stabilizing agents in the PEO matrices reduced the degradation of the prodrug considerably. Citric acid was the most effective of all of the pH modifiers studied. Among the various antioxidants utilized, degradation was observed least in presence of BHT and ascorbic acid. Only 7.6% and 8.2% of prodrug degraded in these matrices, respectively, as compared to the PEO only matrices (59.4%) at the end of 3 months at 25 °C/60% RH. The prodrug was very stable in both of the final formulations at the end of the 3 months at 40 °C/75% RH. PMID:18652884

  8. Stability and phase transition of localized modes in Bose–Einstein condensates with both two- and three-body interactions

    SciTech Connect

    Bai, Xiao-Dong; Ai, Qing; Zhang, Mei; Xiong, Jun Yang, Guo-Jian; Deng, Fu-Guo

    2015-09-15

    We investigate the stability and phase transition of localized modes in Bose–Einstein Condensates (BECs) in an optical lattice with the discrete nonlinear Schrödinger model by considering both two- and three-body interactions. We find that there are three types of localized modes, bright discrete breather (DB), discrete kink (DK), and multi-breather (MUB). Moreover, both two- and three-body on-site repulsive interactions can stabilize DB, while on-site attractive three-body interactions destabilize it. There is a critical value for the three-body interaction with which both DK and MUB become the most stable ones. We give analytically the energy thresholds for the destabilization of localized states and find that they are unstable (stable) when the total energy of the system is higher (lower) than the thresholds. The stability and dynamics characters of DB and MUB are general for extended lattice systems. Our result is useful for the blocking, filtering, and transfer of the norm in nonlinear lattices for BECs with both two- and three-body interactions.

  9. Intermonomer Interactions in Hemagglutinin Subunits HA1 and HA2 Affecting Hemagglutinin Stability and Influenza Virus Infectivity

    PubMed Central

    DeFeo, Christopher J.; Alvarado-Facundo, Esmeralda; Vassell, Russell

    2015-01-01

    ABSTRACT Influenza virus hemagglutinin (HA) mediates virus entry by binding to cell surface receptors and fusing the viral and endosomal membranes following uptake by endocytosis. The acidic environment of endosomes triggers a large-scale conformational change in the transmembrane subunit of HA (HA2) involving a loop (B loop)-to-helix transition, which releases the fusion peptide at the HA2 N terminus from an interior pocket within the HA trimer. Subsequent insertion of the fusion peptide into the endosomal membrane initiates fusion. The acid stability of HA is influenced by residues in the fusion peptide, fusion peptide pocket, coiled-coil regions of HA2, and interactions between the surface (HA1) and HA2 subunits, but details are not fully understood and vary among strains. Current evidence suggests that the HA from the circulating pandemic 2009 H1N1 influenza A virus [A(H1N1)pdm09] is less stable than the HAs from other seasonal influenza virus strains. Here we show that residue 205 in HA1 and residue 399 in the B loop of HA2 (residue 72, HA2 numbering) in different monomers of the trimeric A(H1N1)pdm09 HA are involved in functionally important intermolecular interactions and that a conserved histidine in this pair helps regulate HA stability. An arginine-lysine pair at this location destabilizes HA at acidic pH and mediates fusion at a higher pH, while a glutamate-lysine pair enhances HA stability and requires a lower pH to induce fusion. Our findings identify key residues in HA1 and HA2 that interact to help regulate H1N1 HA stability and virus infectivity. IMPORTANCE Influenza virus hemagglutinin (HA) is the principal antigen in inactivated influenza vaccines and the target of protective antibodies. However, the influenza A virus HA is highly variable, necessitating frequent vaccine changes to match circulating strains. Sequence changes in HA affect not only antigenicity but also HA stability, which has important implications for vaccine production, as well

  10. Biomass Reallocation between Juveniles and Adults Mediates Food Web Stability by Distributing Energy Away from Strong Interactions.

    PubMed

    Caskenette, Amanda L; McCann, Kevin S

    2017-01-01

    Ecological theory has uncovered dynamical differences between food web modules (i.e. low species food web configurations) with only species-level links and food web modules that include within-species links (e.g. non-feeding links between mature and immature individuals) and has argued that these differences ought to cause food web theory that includes within-species links to contrast with classical food web theory. It is unclear, however, if life-history will affect the observed connection between interaction strength and stability in species-level theory. We show that when the predator in a species-level food chain is split into juvenile and adult stages using a simple nested approach, stage-structure can mute potentially strong interactions through the transfer of biomass within a species. Within-species biomass transfer distributes energy away from strong interactions promoting increased system stability consistent with classical food web theory.

  11. Biomass Reallocation between Juveniles and Adults Mediates Food Web Stability by Distributing Energy Away from Strong Interactions

    PubMed Central

    Caskenette, Amanda L.; McCann, Kevin S.

    2017-01-01

    Ecological theory has uncovered dynamical differences between food web modules (i.e. low species food web configurations) with only species-level links and food web modules that include within-species links (e.g. non-feeding links between mature and immature individuals) and has argued that these differences ought to cause food web theory that includes within-species links to contrast with classical food web theory. It is unclear, however, if life-history will affect the observed connection between interaction strength and stability in species-level theory. We show that when the predator in a species-level food chain is split into juvenile and adult stages using a simple nested approach, stage-structure can mute potentially strong interactions through the transfer of biomass within a species. Within-species biomass transfer distributes energy away from strong interactions promoting increased system stability consistent with classical food web theory. PMID:28114339

  12. Notable Stabilization of α-Chymotrypsin by the Protic Ionic Additive, [ch][dhp]: Calorimetric Evidence for a Fine Enthalpy/Entropy Balance

    PubMed Central

    Makharadze, Maya; van Eldik, Rudi; Khoshtariya, Dimitri E.

    2014-01-01

    An impact of 0.5 to 3 M choline dihydrogen phosphate, [ch][dhp], the biotechnologically relevant ionic substance, on the thermal stability of a model globular protein, α-chymotrypsin (α-CT), has been studied exploiting the highly sensitive differential scanning calorimetry (DSC) technique. The notable overall stabilizing effect of 11 ± 2 K regarding the thermal transition (melting) temperature, Tm, has been detected. For this kind of series, for the first time, the calorimetric melting enthalpy (ΔHcal) and transition entropy (ΔSm) parameters have been determined simultaneously throughout. The first analysis indicated a two-phase impact implying (a) the initial, dramatic drop in both ΔHcal and ΔSm, obviously connected to specific, direct interaction between the [ch][dhp] components and α-CT's charged groups (within 0 to 1 mol/L [ch][dhp]), leading to the essential rearrangement of the interfacial hydrogen-bonded (HB) network; and (b) the follow-up (within 1 to 3.0 mol/L [ch][dhp]), modest changes in ΔHcal and lack of changes in ΔSm, seemingly connected with a subsequent steady strengthening of already reformed HB network, respectively. These changes, presumably, are primarily facilitated by Coulombic interactions between the [dhp] anions and solvent-exposed positively charged amino groups of α-CT. PMID:27437474

  13. Stability and reconstitution of pyruvate oxidase from Lactobacillus plantarum: dissection of the stabilizing effects of coenzyme binding and subunit interaction.

    PubMed Central

    Risse, B.; Stempfer, G.; Rudolph, R.; Möllering, H.; Jaenicke, R.

    1992-01-01

    Pyruvate oxidase from Lactobacillus plantarum is a homotetrameric flavoprotein with strong binding sites for FAD, TPP, and a divalent cation. Treatment with acid ammonium sulfate in the presence of 1.5 M KBr leads to the release of the cofactors, yielding the stable apoenzyme. In the present study, the effects of FAD, TPP, and Mn2+ on the structural properties of the apoenzyme and the reconstitution of the active holoenzyme from its constituents have been investigated. As shown by circular dichroism and fluorescence emission, as well as by Nile red binding, the secondary and tertiary structures of the apoenzyme and the holoenzyme do not exhibit marked differences. The quaternary structure is stabilized significantly in the presence of the cofactors. Size-exclusion high-performance liquid chromatography and analytical ultracentrifugation demonstrate that the holoenzyme retains its tetrameric state down to 20 micrograms/mL, whereas the apoenzyme shows stepwise tetramer-dimer-monomer dissociation, with the monomer as the major component, at a protein concentration of < 20 micrograms/mL. In the presence of divalent cations, the coenzymes FAD and TPP bind to the apoenzyme, forming the inactive binary FAD or TPP complexes. Both FAD and TPP affect the quaternary structure by shifting the equilibrium of association toward the dimer or tetramer. High FAD concentrations exert significant stabilization against urea and heat denaturation, whereas excess TPP has no effect. Reconstitution of the holoenzyme from its components yields full reactivation. The kinetic analysis reveals a compulsory sequential mechanism of cofactor binding and quaternary structure formation, with TPP binding as the first step. The binary TPP complex (in the presence of 1 mM Mn2+/TPP) is characterized by a dimer-tetramer equilibrium transition with an association constant of Ka = 2 x 10(7) M-1. The apoenzyme TPP complex dimer associates with the tetrameric holoenzyme in the presence of 10 microM FAD

  14. Interaction Signatures Stabilizing the NAD(P)-Binding Rossmann Fold: A Structure Network Approach

    PubMed Central

    Bhattacharyya, Moitrayee; Upadhyay, Roopali; Vishveshwara, Saraswathi

    2012-01-01

    The fidelity of the folding pathways being encoded in the amino acid sequence is met with challenge in instances where proteins with no sequence homology, performing different functions and no apparent evolutionary linkage, adopt a similar fold. The problem stated otherwise is that a limited fold space is available to a repertoire of diverse sequences. The key question is what factors lead to the formation of a fold from diverse sequences. Here, with the NAD(P)-binding Rossmann fold domains as a case study and using the concepts of network theory, we have unveiled the consensus structural features that drive the formation of this fold. We have proposed a graph theoretic formalism to capture the structural details in terms of the conserved atomic interactions in global milieu, and hence extract the essential topological features from diverse sequences. A unified mathematical representation of the different structures together with a judicious concoction of several network parameters enabled us to probe into the structural features driving the adoption of the NAD(P)-binding Rossmann fold. The atomic interactions at key positions seem to be better conserved in proteins, as compared to the residues participating in these interactions. We propose a “spatial motif” and several “fold specific hot spots” that form the signature structural blueprints of the NAD(P)-binding Rossmann fold domain. Excellent agreement of our data with previous experimental and theoretical studies validates the robustness and validity of the approach. Additionally, comparison of our results with statistical coupling analysis (SCA) provides further support. The methodology proposed here is general and can be applied to similar problems of interest. PMID:23284738

  15. DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson-Crick pairing near graphite surfaces.

    PubMed

    Shankar, Akshaya; Jagota, Anand; Mittal, Jeetain

    2012-10-11

    Single- and double-stranded DNA are increasingly being paired with surfaces and nanoparticles for numerous applications, such as sensing, imaging, and drug delivery. Unlike the majority of DNA structures in bulk that are stabilized by canonical Watson-Crick pairing between Ade-Thy and Gua-Cyt, those adsorbed on surfaces are often stabilized by noncanonical base pairing, quartet formation, and base-surface stacking. Not much is known about these kinds of interactions. To build an understanding of the role of non-Watson-Crick pairing on DNA behavior near surfaces, one requires basic information on DNA base pair stacking and hydrogen-bonding interactions. All-atom molecular simulations of DNA bases in two cases--in bulk water and strongly adsorbed on a graphite surface--are conducted to study the relative strengths of stacking and hydrogen bond interactions for each of the 10 possible combinations of base pairs. The key information obtained from these simulations is the free energy as a function of distance between two bases in a pair. We find that stacking interactions exert the dominant influence on the stability of DNA base pairs in bulk water as expected. The strength of stability for these stacking interactions is found to decrease in the order Gua-Gua > Ade-Gua > Ade-Ade > Gua-Thy > Gua-Cyt > Ade-Thy > Ade-Cyt > Thy-Thy > Cyt-Thy > Cyt-Cyt. On the other hand, mutual interactions of surface-adsorbed base pairs are stabilized mostly by hydrogen-bonding interactions in the order Gua-Cyt > Ade-Gua > Ade-Thy > Ade-Ade > Cyt-Thy > Gua-Gua > Cyt-Cyt > Ade-Cyt > Thy-Thy > Gua-Thy. Interestingly, several non-Watson-Crick base pairings, which are commonly ignored, have similar stabilization free energies due to interbase hydrogen bonding as Watson-Crick pairs. This clearly highlights the importance of non-Watson-Crick base pairing in the development of secondary structures of oligonucleotides near surfaces.

  16. Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.

    PubMed

    Bier, David; Bartel, Maria; Sies, Katharina; Halbach, Sebastian; Higuchi, Yusuke; Haranosono, Yu; Brummer, Tilman; Kato, Nobuo; Ottmann, Christian

    2016-04-19

    Small-molecule modulation of protein-protein interactions (PPIs) is one of the most promising new areas in drug discovery. In the vast majority of cases only inhibition or disruption of PPIs is realized, whereas the complementary strategy of targeted stabilization of PPIs is clearly under-represented. Here, we report the example of a semi-synthetic natural product derivative--ISIR-005--that stabilizes the cancer-relevant interaction of the adaptor protein 14-3-3 and Gab2. The crystal structure of ISIR-005 in complex with 14-3-3 and the binding motif of Gab2 comprising two phosphorylation sites (Gab2pS210pT391) showed how the stabilizing molecule binds to the rim-of-the-interface of the protein complex. Only in the direct vicinity of 14-3-3/Gab2pT391 site is a pre-formed pocket occupied by ISIR-005; binding of the Gab2pS210 motif to 14-3-3 does not create an interface pocket suitable for the molecule. Accordingly, ISIR-005 only stabilizes the binding of the Gab2pT391 but not the Gab2pS210 site. This study represents structural and biochemical proof of the druggability of the 14-3-3/Gab2 PPI interface with important implications for the development of PPI stabilizers.

  17. The effect of zinc additions on the environmental stability of Alloy 8090 (Al-Li-Cu-Mg-Zr)

    NASA Technical Reports Server (NTRS)

    Kilmer, Raymond J.; Stoner, G. E.

    1991-01-01

    Stress corrosion cracking (SCC) remains a problem in both Al-Li and conventional Al heat treatable alloys. It has recently been found that relatively small additions (less than or approximately 1 wt-percent) of Zn can dramatically improve the SCC performance of alloy 8090 (Al-Li-Cu-Mg-Zr). Constant load time to failure experiments using cylindrical tensile samples loaded between 30 and 85 percent of TYS indicate improvements of orders of magnitude over the baseline 8090 for the Zn-containing alloys under certain aging conditions. However, the toughnesses of the alloys were noticeably degraded due to the formation of second phase particles which primarily reside on grain and subgrain boundaries. EDS revealed that these intermetallic particles were Cu and Zn rich. The particles were present in the T3 condition and were not found to be the result of quench rate, though their size and distribution were. At 5 hours at 160 C, the alloys displayed the greatest susceptibility to SCC but by 20 hours at 160 C the alloys demonstrated markedly improved TTF lifetimes. Aging past this time did not provide separable TTF results, however, the alloy toughnesses continued to worsen. Initial examination of the alloys microstructures at 5 and 20 hours indicated some changes most notably the S' and delta' distributions. A possible model by which this may occur will be explored. Polarization experiments indicated a change in the trend of E(sub BR) and passive current density at peak aging as compared to the baseline 8090. Initial pitting experiments indicated that the primary pitting mechanism in chloride environments is one occurring at constituent (Al-Fe-Cu) particles and that the Cu and Zn rich boundary precipitates posses a breakaway potential similar to that of the matrix acting neither anodic or cathodic in the first set of aerated 3.5 w/o NaCl experiments. Future work will focus on the identification of the second phase particles, evaluation of K(sub 1SCC) and plateau da/dt via

  18. AOCS Performance and Stability Validation for a 160-m Solar Sail with Control-Structure Interactions

    NASA Technical Reports Server (NTRS)

    Wie, Bong; Murphy, David

    2005-01-01

    Future solar sail missions, such as NASA's Solar Polar Imager Vision, will require sails with dimensions on the order of 50-500 m. We are examining a square sail design with moving mass (trim control mass, TCM) and quadrant rotation primary actuators plus pulsed plasma thrusters (PPTs) at the mast tips for backup attitude control. Quadrant rotation is achieved via roll stabilizer bars (RSB) at the mast tips. At these sizes, given the gossamer nature of the sail supporting structures, flexible modes may be low enough to interact with the control system, especially as these actuators are located on the flexible structure itself and not on the rigid core. This paper develops a practical analysis of the flexible interactions using state-space systems and modal data from finite element models of the system. Torsion and bending of the masts during maneuvers could significantly affect the function of the actuators while activation of the membrane modes could adversely affect the thrust vector direction and magnitude. Analysis of the RSB and TCM dynamics for developing high-fidelity simulations is included. For control analysis of the flexible system, standard finite-element models of the flexible sail body are loaded and the modal data is used to create a modal coordinate state-space system. Key parameters include which modes to include, which nodes are of interest for force inputs and displacement outputs, connecting nodes through which external forces and torques are applied from the flex body to the core, any nominal momentum in the system, and any steady rates. The system is linearized about the nominal attitude and rate. The state-space plant can then be analyzed with a state-space controller, and Bode, Nyquist, step and impulse responses generated. The approach is general for any rigid core with a flexible appendage. This paper develops a compensator for a simple two-mass flex system and extrapolates the results to the solar sail. A finite element model of the 20 m

  19. Full configuration interaction computer simulation study of the thermodynamic and kinetic stability of hydrated dielectrons.

    PubMed

    Larsen, Ross E; Schwartz, Benjamin J

    2006-01-19

    The hydrated electron is a unique solvent-supported state comprised of an excess electron that is confined to a cavity by the surrounding water. Theoretical studies have suggested that two-electron solvent-supported states also can be formed; in particular, simulations indicate that two excess electrons could pair up and occupy a single cavity, forming a so-called hydrated dielectron. Although hydrated dielectrons have not been observed directly by experiment, their existence has been posited to explain the lack of an ionic strength effect in hydrated electron bimolecular annihilation [Schmidt, K. H.; Bartels, D. M. Chem. Phys. 1995, 190, 145]. To determine whether dielectrons may be created in the laboratory, we use thermodynamic integration (TI), combined with mixed quantum/classical molecular dynamics simulation, to examine the thermodynamic stability of hydrated electrons and dielectrons. For the dielectron calculations, we solve the two-electron quantum problem using full configuration interaction. Our results suggest that hydrated dielectrons are thermodynamically unstable relative to separated (single) hydrated electrons, although we also show that increasing the pressure could drive the equilibrium toward the formation of dielectrons. Because the simulations suggest that hydrated dielectrons are kinetically stable, we also examine a scenario for creating metstable, nonequilibrium populations of dielectrons, which involves the capture of a newly injected electron by a preexisting, equilibrated hydrated electron. These calculations, which allow for the full nonadiabatic relaxation of the injected electron, show that hydrated electrons may indeed act as trapping sites for unequilibrated electrons, so that capture may be a viable mechanism for creating dielectrons. We suggest possible experimental procedures to create such nonequilibrium hydrated dielectrons using either pulse radiolysis or ultrafast spectroscopic techniques.

  20. Lipid and protein stability and sensory evaluation of ostrich (Struthio camelus) droëwors with the addition of rooibos tea extract (Aspalathus linearis) as a natural antioxidant.

    PubMed

    Hoffman, Louwrens C; Jones, Maxine; Muller, Nina; Joubert, Elizabeth; Sadie, Annalene

    2014-03-01

    The effect of rooibos tea extract (RBTE 0%, 0.25%, 0.50%, 1.00%) as a natural antioxidant on the lipid and protein stability of ostrich droëwors (traditional South African dried sausage) after a 15 day drying period was investigated. The lipid stability of the droëwors increased with 0.25% RBTE having lower TBARS. The protein stability of the droëwors did not differ (P≥0.05) between treatments. The heme-iron content did not differ (P≥0.05) between the treatments and increased from day 0 to day 15. Drying resulted in a decrease in the total moisture content by 45% and a corresponding increase in all other components. There were no differences between the moisture, fat and ash contents between treatments within a specific day. The droëwors had high concentrations of oleic acid, palmitic acid and linoleic acid. The addition of RBTE also improved the sensory attributes and can thus be added and marketed as a natural flavourant from 'out of Africa' for a traditional South African meat product.

  1. Solvation free energy of the peptide group: its model dependence and implications for the additive-transfer free-energy model of protein stability.

    PubMed

    Tomar, Dheeraj S; Asthagiri, D; Weber, Valéry

    2013-09-17

    The group-additive decomposition of the unfolding free energy of a protein in an osmolyte solution relative to that in water poses a fundamental paradox: whereas the decomposition describes the experimental results rather well, theory suggests that a group-additive decomposition of free energies is, in general, not valid. In a step toward resolving this paradox, here we study the peptide-group transfer free energy. We calculate the vacuum-to-solvent (solvation) free energies of (Gly)n and cyclic diglycine (cGG) and analyze the data according to experimental protocol. The solvation free energies of (Gly)n are linear in n, suggesting group additivity. However, the slope interpreted as the free energy of a peptide unit differs from that for cGG scaled by a factor of half, emphasizing the context dependence of solvation. However, the water-to-osmolyte transfer free energies of the peptide unit are relatively independent of the peptide model, as observed experimentally. To understand these observations, a way to assess the contribution to the solvation free energy of solvent-mediated correlation between distinct groups is developed. We show that linearity of solvation free energy with n is a consequence of uniformity of the correlation contributions, with apparent group-additive behavior in the water-to-osmolyte transfer arising due to their cancellation. Implications for inferring molecular mechanisms of solvent effects on protein stability on the basis of the group-additive transfer model are suggested.

  2. Insights into the interactions between enzyme and co-solvents: stability and activity of stem bromelain.

    PubMed

    Rani, Anjeeta; Venkatesu, Pannuru

    2015-02-01

    In present study, an attempt is made to elucidate the effects of various naturally occurring osmolytes and denaturants on BM at pH 7.0. The effects of the varying concentrations of glycerol, sorbitol, sucrose, trehalose, urea and guanidinium chloride (GdnHCl) on structure, stability and activity of BM are explored by fluorescence spectroscopy, circular dichroism (CD), UV-vis spectroscopy and sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE). Our experimental observations reveal that glycerol and sorbitol are acting as stabilizers at all concentrations while sucrose and trehalose are found to be destabilizers at lower concentrations, however, acted as stabilizers at higher concentrations. On the other hand, urea and GdnHCl are denaturants except at lower concentrations. There is a direct relationship between activity and conformational stability as the activity data are found to be in accordance with conformational stability parameters (ΔGu, Tm, ΔCp) and BM profile on SDS-PAGE.

  3. Determinants of Affinity and Proteolytic Stability in Interactions of Kunitz Family Protease Inhibitors with Mesotrypsin

    SciTech Connect

    Salameh, M.A.; Soares, A.; Navaneetham, D.; Sinha, D.; Walsh, P. N.; Radisky, E. S.

    2010-11-19

    An important functional property of protein protease inhibitors is their stability to proteolysis. Mesotrypsin is a human trypsin that has been implicated in the proteolytic inactivation of several protein protease inhibitors. We have found that bovine pancreatic trypsin inhibitor (BPTI), a Kunitz protease inhibitor, inhibits mesotrypsin very weakly and is slowly proteolyzed, whereas, despite close sequence and structural homology, the Kunitz protease inhibitor domain of the amyloid precursor protein (APPI) binds to mesotrypsin 100 times more tightly and is cleaved 300 times more rapidly. To define features responsible for these differences, we have assessed the binding and cleavage by mesotrypsin of APPI and BPTI reciprocally mutated at two nonidentical residues that make direct contact with the enzyme. We find that Arg at P{sub 1} (versus Lys) favors both tighter binding and more rapid cleavage, whereas Met (versus Arg) at P'{sub 2} favors tighter binding but has minimal effect on cleavage. Surprisingly, we find that the APPI scaffold greatly enhances proteolytic cleavage rates, independently of the binding loop. We draw thermodynamic additivity cycles analyzing the interdependence of P1 and P'{sub 2} substitutions and scaffold differences, finding multiple instances in which the contributions of these features are nonadditive. We also report the crystal structure of the mesotrypsin {center_dot} APPI complex, in which we find that the binding loop of APPI displays evidence of increased mobility compared with BPTI. Our data suggest that the enhanced vulnerability of APPI to mesotrypsin cleavage may derive from sequence differences in the scaffold that propagate increased flexibility and mobility to the binding loop.

  4. Determinants of Affinity and Proteolytic Stability in Interactions of Kunitz Family Protease Inhibitors with Mesotrypsin

    SciTech Connect

    M Salameh; A Soares; D Navaneetham; D Sinha; P Walsh; E Radisky

    2011-12-31

    An important functional property of protein protease inhibitors is their stability to proteolysis. Mesotrypsin is a human trypsin that has been implicated in the proteolytic inactivation of several protein protease inhibitors. We have found that bovine pancreatic trypsin inhibitor (BPTI), a Kunitz protease inhibitor, inhibits mesotrypsin very weakly and is slowly proteolyzed, whereas, despite close sequence and structural homology, the Kunitz protease inhibitor domain of the amyloid precursor protein (APPI) binds to mesotrypsin 100 times more tightly and is cleaved 300 times more rapidly. To define features responsible for these differences, we have assessed the binding and cleavage by mesotrypsin of APPI and BPTI reciprocally mutated at two nonidentical residues that make direct contact with the enzyme. We find that Arg at P{sub 1} (versus Lys) favors both tighter binding and more rapid cleavage, whereas Met (versus Arg) at P'{sub 2} favors tighter binding but has minimal effect on cleavage. Surprisingly, we find that the APPI scaffold greatly enhances proteolytic cleavage rates, independently of the binding loop. We draw thermodynamic additivity cycles analyzing the interdependence of P{sub 1} and P'{sub 2} substitutions and scaffold differences, finding multiple instances in which the contributions of these features are nonadditive. We also report the crystal structure of the mesotrypsin-APPI complex, in which we find that the binding loop of APPI displays evidence of increased mobility compared with BPTI. Our data suggest that the enhanced vulnerability of APPI to mesotrypsin cleavage may derive from sequence differences in the scaffold that propagate increased flexibility and mobility to the binding loop.

  5. Fe-C interactions and soil organic matter stability in two tropical soils of contrasting parent materials

    NASA Astrophysics Data System (ADS)

    Coward, E.; Thompson, A.; Plante, A. F.

    2014-12-01

    The long residence time of soil organic matter (SOM) is a dynamic property, reflecting the diversity of stabilization mechanisms active within the soil matrix. Climate and ecosystem properties act at the broadest scale, while biochemical recalcitrance, physical occlusion and mineral association drive stability at the microscale. Increasing evidence suggests that the stability of SOM is dominated by organo-mineral interactions. However, the 2:1 clays that provide much of the stabilization capacity in temperate soils are typically absent in tropical soils due to weathering. In contrast, these soils may contain an abundance of iron and aluminium oxides and oxyhydroxides, known as short-range-order (SRO) minerals. These SRO minerals are capable of SOM stabilization through adsorption or co-precipitation, a faculty largely enabled by their high specific surface area (SSA). As such, despite their relatively small mass, SRO minerals may contribute substantially to the SOM stabilization capacity of tropical soils. The objective of this work is to characterize and quantify these Fe-C interactions. Surface (0-20 cm) soil samples were taken from 20 quantitative soil pits dug within the Luquillo Critical Zone Observatory in northeast Puerto Rico. Soils were stratified across granodiorite and volcaniclastic parent materials. Four extraction procedures were used to isolate three different forms of Fe-C interactions: sodium pyrophosphate to isolate organo-metallic complexes, hydroxylamine and oxalate to isolate SRO Fe- and Al-hydroxides, and dithionite to isolate crystalline Fe-oxyhydroxides. Extracts were analysed for DOC and Fe and Al concentrations to estimate the amount of SOM associated with each mineral type. Soils were subjected to SSA and solid-phase C analyses before and after extraction to determine the contribution of the various Fe mineral types to soil SSA, and therefore to potential stabilization capacity through organo-mineral complexation. Preliminary results

  6. Molecular insights into the stabilization of protein-protein interactions with small molecule: The FKBP12-rapamycin-FRB case study

    NASA Astrophysics Data System (ADS)

    Chaurasia, Shilpi; Pieraccini, Stefano; De Gonda, Riccardo; Conti, Simone; Sironi, Maurizio

    2013-11-01

    Targetting protein-protein interactions is a challenging task in drug discovery process. Despite the challenges, several studies provided evidences for the development of small molecules modulating protein-protein interactions. Here we consider a typical case of protein-protein interaction stabilization: the complex between FKBP12 and FRB with rapamycin. We have analyzed the stability of the complex and characterized its interactions at the atomic level by performing free energy calculations and computational alanine scanning. It is shown that rapamycin stabilizes the complex by acting as a bridge between the two proteins; and the complex is stable only in the presence of rapamycin.

  7. Controlling the size and morphology of griseofulvin nanoparticles using polymeric stabilizers by evaporation-assisted solvent-antisolvent interaction method

    NASA Astrophysics Data System (ADS)

    Kumar, Raj; Siril, Prem Felix

    2015-06-01

    Griseofulvin (GF) is a potential drug for cancer therapy. However, its application is limited by its poor water solubility. Ultrafine GF nanoparticles were prepared through evaporation-assisted solvent-antisolvent interaction method for improving its solubility. Acetone was used as the solvent and water was used as the antisolvent. It was observed that particle size could be controlled by varying the concentration of GF in acetone. Average particle size was very low, 16 ± 4 and 28 ± 8 nm, when the concentration of GF was 5 and 25 mM, respectively, in acetone. However, the particle size increased drastically to more than 3 µm, when the concentration was increased to 50 mM. Interestingly, the presence of optimized concentration of polyvinylpyrrolidone (PVP) and hydroxypropyl methylcellulose (HPMC) as stabilizers in the antisolvent resulted in significant reduction of particle size. Particle size decreased to less than 40 nm in the presence of the polymeric stabilizers, even when the concentration was 50 mM. Field emission scanning electron microscopy, transmission electron microscopy, and atomic force microscopy imaging revealed that the polymeric stabilizers encapsulated very small GF particles and thus stabilized them. The solubility of GF-HPMC, GF-PVP, and the bare GF particles that were prepared from 50 mM solution (micro-GF) was nearly 24, 19, and 11 times, respectively, higher than that of raw-GF. In vitro dissolution studies revealed that almost 100 % of the drug was released in 60 min from GF-PVP and GF-HPMC. Fourier transform infrared spectroscopy did not detect any strong interaction between GF and the stabilizers. X-ray diffraction showed that the prepared GF nanoparticles and the micro-GF were in polymorphic form I. Differential scanning calorimetric studies showed that the crystallinity of the nanoformulated GF was only slightly lower than that of raw-GF. Thus, particle size reduction and the presence of stabilizers led to significant enhancement in

  8. Dynamical stabilization of the body centered cubic phase in lanthanum and thorium by phonon-phonon interaction.

    PubMed

    Souvatzis, P; Björkman, T; Eriksson, O; Andersson, P; Katsnelson, M I; Rudin, S P

    2009-04-29

    A recently developed self-consistent ab initio lattice dynamical method has been applied to the high temperature body centered cubic (bcc) phase of La and Th, which are dynamically unstable at low temperatures. The bcc phase of these metals is found to be stabilized by phonon-phonon interactions. The calculated high temperature phonon frequencies for La are found to be in good agreement with the corresponding experimental data.

  9. Improvement in chemical and physical stability of fluvastatin drug through hydrogen bonding interactions with different polymer matrices.

    PubMed

    Papageorgiou, G Z; Papadimitriou, S; Karavas, E; Georgarakis, E; Docoslis, A; Bikiaris, D

    2009-01-01

    Solid dispersions of Fluvastatin with polyvinylpyrrolidone (PVP), eudragit RS100 (Eud), and chitosan (CS) as drug carrier matrices, were prepared using different techniques in order to evaluate their effect on Fluvastatin stability during storage. The characterization of the three different systems was performed with the use of differential scanning calorimetry (DSC) and wide angle X-ray diffractometry (WAXD). It was revealed that amorphization of the drug occurred in all of the solid dispersions of Fluvastatin as a result of drug dissolution into polymer matrices and due to physical interactions (hydrogen bonding) between the polymer matrix and Fluvastatin. This was established through the use of FTIR spectroscopy. SEM and micro-Raman spectroscopy showed that Fluvastatin was interspersed to the polymer matrices in the form of molecular dispersion and nanodispersion, too. The finding that completely different polymer matrices, used here as drug carriers, produce completely different dissolution profiles for each one of the solid dispersions, suggests that each matrix follows a different drug release mechanism. Hydrogen bonding interactions as in the case of CS/Fluva solid dispersions lead to controlled release profiles. All formulations were subjected to accelerated aging in order to evaluate Fluvastatin stability. From by-products analysis it was found that Fluvastatin is very unstable during storage and anti-isomer as well as lactones are the main formed by-products. On the other hand, solid dispersions due to the evolved interactions of their reactive groups with Fluvastatin provide a sufficient physical and chemical stability. The extent of interactions seems to play the most important role in the drug stabilization.

  10. Electrophilic Addition to Alkenes: The Relation between Reactivity and Enthalpy of Hydrogenation: Regioselectivity is Determined by the Stability of the Two Conceivable Products.

    PubMed

    Schnatter, Wayne F K; Rogers, Donald W; Zavitsas, Andreas A

    2015-07-13

    Although electrophilic addition to alkenes has been well studied, some secrets still remain. Halogenations, hydrohalogenations, halohydrin formations, hydrations, epoxidations, other oxidations, carbene additions, and ozonolyses are investigated to elucidate the relation of alkene reactivities with their enthalpies of hydrogenation (ΔHhyd ). For addition of electrophiles to unconjugated hydrocarbon alkenes, ln(k) is a linear function of ΔHhyd , where k is the rate constant. Linear correlation coefficients are about 0.98 or greater. None of the many previously proposed correlations of ln(k) with the properties of alkenes or with linear free-energy relationships match the generality and accuracy of the simple linear relationship found herein. A notable exception is acid-catalyzed hydration in water or in solvents stabilizing relatively stable carbocation intermediates (e.g., tertiary, benzylic, or allylic). (13) C NMR chemical shifts of the two alkene carbons also predict regioselectivity. These effects have not been noted previously and are operative in general, including addition to heteroatom-substituted alkenes.

  11. New Red-Emitting Conjugated Polyelectrolyte: Stabilization by Interaction with Biomolecules and Potential Use as Drug Carriers and Bioimaging Probes.

    PubMed

    Kahveci, Zehra; Vázquez-Guilló, Rebeca; Martínez-Tomé, Maria José; Mallavia, Ricardo; Mateo, C Reyes

    2016-01-27

    The design and development of fluorescent conjugated polyelectrolytes (CPEs) emitting in the red region of the visible spectrum is at present of great interest for bioimaging studies. However, despite the wide variety of CPEs available, stable bright red-emitters remain scarce due to their low solubility and instability in aqueous media, consequently limiting their applications. In this work, we have synthesized and characterized a new red-emitting cationic conjugated polyelectrolyte copoly-{[9,9-bis(6'-N,N,N-trimethylammonium)hexyl]-2,7-(fluorene)-alt-1,4-(naphtho[2,3c]-1,2,5-thiadiazole)} bromide (HTMA-PFNT), based on the incorporation of naphtha[2,3c][1,2,5] thiadiazole on fluorene backbone to increase the bathochromic emission, extending the conjugation length in the polymer backbone. Water stabilization was achieved by binding the polyelectrolyte to two different biological systems which are currently used as nanocarriers: human serum albumin (HSA) and lipid vesicles. Using both systems, stable nanostructures of different composition were obtained and their properties were characterized. The properties of the protein-based nanoparticles are consistent with polyelectrolyte aggregates covered with HSA molecules, while the liposome system is composed of lipid vesicles coated with polyelectrolyte chains partially inserted in the bilayer. Both protein and vesicle structural integrity were not affected after their interaction with HTMA-PFNT, as well as the carrier properties, allowing for the binding and transport of ligands. In addition, the nanoparticles displayed the ability of labeling the cell membrane of living cells. All these results extend the potential applications of these novel multifunctional nanoparticles as therapeutic carriers and bioimaging probes.

  12. Effects of interactive metronome training on postural stability and upper extremity function in Parkinson’s disease: a case study

    PubMed Central

    Kim, Arim; Lee, Hye-Sun; Song, Chiang-Soon

    2017-01-01

    [Purpose] The purpose of this study was to examine the effects of interactive metronome training on the postural stability and upper extremity function of an individual with Parkinson’s disease. [Subject and Methods] The participant of this case study was a 75-year-old female with Parkinson’s disease diagnosed 7 years prior. This study was a single-subject research with an A-B-A design. She received IM training during the treatment phase (B phase) for 40 minutes per session. She was assessed pretest and posttest using the Berg balance scale and Wolf motor function test, and at baseline and the treatment phase using the measured box-and-block test and a Tetrax system. [Results] After training, the patient’s static and dynamic balance, functional activity, and performance time of the upper extremity improved. Interactive metronome therapy improved the manual dexterity of both hands. Interactive metronome therapy also improved the limit of stability of the Parkinson’s disease. [Conclusion] Though a case study, the results of this study suggest that IM therapy is effective at restoring the postural stability and upper extremity function of patients with Parkinson’s disease. PMID:28210066

  13. Hot melt extrusion for amorphous solid dispersions: temperature and moisture activated drug-polymer interactions for enhanced stability.

    PubMed

    Sarode, Ashish L; Sandhu, Harpreet; Shah, Navnit; Malick, Waseem; Zia, Hossein

    2013-10-07

    Hot melt extrudates (HMEs) of indomethacin (IND) with Eudragit EPO and Kollidon VA 64 and those of itraconazole (ITZ) with HPMCAS-LF and Kollidon VA 64 were manufactured using a Leistritz twin screw extruder. The milled HMEs were stored at controlled temperature and humidity conditions. The samples were collected after specified time periods for 3 months. The stability of amorphous HMEs was assessed using moisture analysis, thermal evaluation, powder X-ray diffraction, FTIR, HPLC, and dissolution study. In general, the moisture content increased with time, temperature, and humidity levels. Amorphous ITZ was physically unstable at very high temperature and humidity levels, and its recrystallization was detected in the HMEs manufactured using Kollidon VA 64. Although physical stability of IND was better sustained by both Eudragit EPO and Kollidon VA 64, chemical degradation of the drug was identified in the stability samples of HMEs with Eudragit EPO stored at 50 °C. The dissolution rates and the supersaturation levels were significantly decreased for the stability samples in which crystallization was detected. Interestingly, the supersaturation was improved for the stability samples of IND:Eudragit EPO and ITZ:HPMCAS-LF, in which no physical or chemical instability was observed. This enhancement in supersaturation was attributed to the temperature and moisture activated electrostatic interactions between the drugs and their counterionic polymers.

  14. Fire in the Amazon: impact of experimental fuel addition on responses of ants and their interactions with myrmecochorous seeds.

    PubMed

    Paolucci, Lucas N; Maia, Maria L B; Solar, Ricardo R C; Campos, Ricardo I; Schoereder, José H; Andersen, Alan N

    2016-10-01

    The widespread clearing of tropical forests causes lower tree cover, drier microclimate, and higher and drier fuel loads of forest edges, increasing the risk of fire occurrence and its intensity. We used a manipulative field experiment to investigate the influence of fire and fuel loads on ant communities and their interactions with myrmecochorous seeds in the southern Amazon, a region currently undergoing extreme land-use intensification. Experimental fires and fuel addition were applied to 40 × 40-m plots in six replicated blocks, and ants were sampled between 15 and 30 days after fires in four strata: subterranean, litter, epigaeic, and arboreal. Fire had extensive negative effects on ant communities. Highly specialized cryptobiotic and predator species of the litter layer and epigaeic specialist predators were among the most sensitive, but we did not find evidence of overall biotic homogenization following fire. Fire reduced rates of location and transport of myrmecochorous seeds, and therefore the effectiveness of a key ecosystem service provided by ants, which we attribute to lower ant abundance and increased thermal stress. Experimental fuel addition had only minor effects on attributes of fire severity, and limited effects on ant responses to fire. Our findings indicate that enhanced fuel loads will not decrease ant diversity and ecosystem services through increased fire severity, at least in wetter years. However, higher fuel loads can still have a significant effect on ants from Amazonian rainforests because they increase the risk of fire occurrence, which has a detrimental impact on ant communities and a key ecosystem service they provide.

  15. Zoledronic acid inhibits aromatase activity and phosphorylation: potential mechanism for additive zoledronic acid and letrozole drug interaction.

    PubMed

    Schech, Amanda J; Nemieboka, Brandon E; Brodie, Angela H

    2012-11-01

    Zoledronic acid (ZA), a bisphosphonate originally indicated for use in osteoporosis, has been reported to exert a direct effect on breast cancer cells, although the mechanism of this effect is currently unknown. Data from the ABCSG-12 and ZO-FAST clinical trials suggest that treatment with the combination of ZA and aromatase inhibitors (AI) result in increased disease free survival in breast cancer patients over AI alone. To determine whether the mechanism of this combination involved inhibition of aromatase, AC-1 cells (MCF-7 human breast cancer cells transfected with an aromatase construct) were treated simultaneously with combinations of ZA and AI letrozole. This combination significantly increased inhibition of aromatase activity of AC-1 cells when compared to letrozole alone. Treatment of 1 nM letrozole in combination with 1 μM or 10 μM ZA resulted in an additive drug interaction on inhibition of cell viability, as measured by MTT assay. Treatment with ZA was found to inhibit phosphorylation of aromatase on serine residues. Zoledronic acid was also shown to be more effective in inhibiting cell viability in aromatase transfected AC-1 cells when compared to inhibition of cell viability observed in non-transfected MCF-7. Estradiol was able to partially rescue the effect of 1 μM and 10 μM ZA on cell viability following treatment for 72 h, as shown by a shift to the right in the estradiol dose-response curve. In conclusion, these results indicate that the combination of ZA and letrozole results in an additive inhibition of cell viability. Furthermore, ZA alone can inhibit aromatase activity through inhibition of serine phosphorylation events important for aromatase enzymatic activity and contributes to inhibition of cell viability.

  16. Structure-activity relationships on the study of β-galactosidase folding/unfolding due to interactions with immobilization additives: Triton X-100 and ethanol.

    PubMed

    Soto, Dayana; Escobar, Sindy; Guzmán, Fanny; Cárdenas, Constanza; Bernal, Claudia; Mesa, Monica

    2017-03-01

    Improving the enzyme stability is a challenge for allowing their practical application. The surfactants are stabilizing agents, however, there are still questions about their influence on enzyme properties. The structure-activity/stability relationship for β-galactosidase from Bacillus circulans is studied here by Circular Dichroism and activity measurements, as a function of temperature and pH. The tendency of preserving the β-sheet and α-helix structures at temperatures below 65°C and different pH is the result of the balance between the large- and short-range effects, respecting to the active site. This information is fundamental for explaining the structural changes of this enzyme in the presence of Triton X-100 surfactant and ethanol. The enzyme thermal stabilization in the presence of this surfactant responds to the rearrangement of the secondary structure for having optimal activity/stability. The effect of ethanol is more related with changes in the dielectric properties of the aqueous solution than with protein structural transformations. These results contribute to understand the effects of surfactant-enzyme interactions on the enzyme behavior, from the structural point of view and to rationalize the surfactant-based stabilizing strategies for β-galactosidades.

  17. [Introduction of additional thiol groups into glucoamylase in Aspergillus awamori and their effect on the thermal stability and catalytic activity of the enzyme].

    PubMed

    Surzhik, M A; Shmidt, A E; Glazunov, E A; Firsov, D L; Petukhov, M G

    2014-01-01

    Five mutant forms of glucoamylase (GA) from the filamentous fungus Aspergillus awamori with artificial disulfide bonds (4D-G137A\\A14C, 6D-A14C\\Y419C\\G137A, 10D-V13C\\G396C, 11D-V13C\\G396C\\A14C\\Y419C\\G137A, and 20D-G137A\\A246C\\A14C) were constructed using computer simulation and experimentally tested for thermostability. The introduction of two additional disulfide bonds between its first and thirteenth alpha-helices and that of the loop located close to a catalytic residue--E400--made it possible to assess the effects of disulfide bridges on protein thermostability. The mutant proteins with combined amino acid substitutions G137A\\A14C, V13C\\G396C\\A14C\\Y419C\\G137A, and G137A\\A246C\\A14C showed higher thermal stability as compared to the wild-type protein. At the same time, new disulfide bridges in the mutant A14C\\Y419C\\G137A and V13C\\G396C proteins led to the destabilization of their structure and the loss of thermal stability.

  18. Interactive control of minerals, wildfire, and erosion on soil carbon stabilization in conifer ecosystems of the western U.S.

    NASA Astrophysics Data System (ADS)

    Rasmussen, C.

    2014-12-01

    Answering the question of what controls the fate and stabilization of organic carbon in forest soils is central to understanding the role of western US ecosystems in mitigating climate change, optimizing forest management, and quantifying local and regional terrestrial carbon budgets. Over half of forest soil C is stored belowground, stabilized by a number of separate, but interacting physical, chemical and biological mechanisms. Here we synthesize data from a series of field and laboratory studies focused on identifying mineral, physical, and landscape position controls on belowground C stabilization mechanisms in western U.S. conifer ecosystems. Results from these studies demonstrate an important for role for short-range-order Fe- and Al-oxyhydroxides and Al-humus complexes in C stabilization, and that the soil mineral assemblage moderates C cycling via control on partitioning of C into physical fractions ("free", "occluded", "mineral") with varying MRT and chemistry. Measures of occluded fraction chemical composition by 13C-NMR indicate this fraction is 2-5 times more enriched in pyrogenic C than the bulk soil and that this fraction is on the order of ~25 to 65% charred materials. Radiocarbon analyses of a large set of conifer soil samples from California and Arizona further indicate the occluded fraction is generally older than either the free light or mineral fraction. In particular, soil C in convergent, water and sediment gathering portions of the landscape are enriched in long MRT charred materials. These results indicate an important role for the interaction of soil mineral assemblage, wildfire, and erosion in controlling belowground C storage and stabilization in western conifer forests. Drought and wildfire are expected to increase with climate change and thus may exert significant control on belowground C storage directly through biochemical and physical changes in aboveground biomass, production of charred materials, and indirectly via post

  19. The interplay between chromosome stability and cell cycle control explored through gene–gene interaction and computational simulation

    PubMed Central

    Frumkin, Jesse P.; Patra, Biranchi N.; Sevold, Anthony; Ganguly, Kumkum; Patel, Chaya; Yoon, Stephanie; Schmid, Molly B.; Ray, Animesh

    2016-01-01

    Chromosome stability models are usually qualitative models derived from molecular-genetic mechanisms for DNA repair, DNA synthesis, and cell division. While qualitative models are informative, they are also challenging to reformulate as precise quantitative models. In this report we explore how (A) laboratory experiments, (B) quantitative simulation, and (C) seriation algorithms can inform models of chromosome stability. Laboratory experiments were used to identify 19 genes that when over-expressed cause chromosome instability in the yeast Saccharomyces cerevisiae. To better understand the molecular mechanisms by which these genes act, we explored their genetic interactions with 18 deletion mutations known to cause chromosome instability. Quantitative simulations based on a mathematical model of the cell cycle were used to predict the consequences of several genetic interactions. These simulations lead us to suspect that the chromosome instability genes cause cell-cycle perturbations. Cell-cycle involvement was confirmed using a seriation algorithm, which was used to analyze the genetic interaction matrix to reveal an underlying cyclical pattern. The seriation algorithm searched over 1014 possible arrangements of rows and columns to find one optimal arrangement, which correctly reflects events during cell cycle phases. To conclude, we illustrate how the molecular mechanisms behind these cell cycle events are consistent with established molecular interaction maps. PMID:27530428

  20. NuMA localization, stability, and function in spindle orientation involve 4.1 and Cdk1 interactions

    PubMed Central

    Seldin, Lindsey; Poulson, Nicholas D.; Foote, Henry P.; Lechler, Terry

    2013-01-01

    The epidermis is a multilayered epithelium that requires asymmetric divisions for stratification. A conserved cortical protein complex, including LGN, nuclear mitotic apparatus (NuMA), and dynein/dynactin, plays a key role in establishing proper spindle orientation during asymmetric divisions. The requirements for the cortical recruitment of these proteins, however, remain unclear. In this work, we show that NuMA is required to recruit dynactin to the cell cortex of keratinocytes. NuMA's cortical recruitment requires LGN; however, LGN interactions are not sufficient for this localization. Using fluorescence recovery after photobleaching, we find that the 4.1-binding domain of NuMA is important for stabilizing its interaction with the cell cortex. This is functionally important, as loss of 4.1/NuMA interaction results in spindle orientation defects, using two distinct assays. Furthermore, we observe an increase in cortical NuMA localization as cells enter anaphase. Inhibition of Cdk1 or mutation of a single residue in NuMA mimics this effect. NuMA's anaphase localization is independent of LGN and 4.1 interactions, revealing two distinct mechanisms responsible for NuMA cortical recruitment at different stages of mitosis. This work highlights the complexity of NuMA localization and reveals the importance of NuMA cortical stability for productive force generation during spindle orientation. PMID:24109598

  1. SAS-4 is recruited to a dynamic structure in newly forming centrioles that is stabilized by the gamma-tubulin-mediated addition of centriolar microtubules.

    PubMed

    Dammermann, Alexander; Maddox, Paul S; Desai, Arshad; Oegema, Karen

    2008-02-25

    Centrioles are surrounded by pericentriolar material (PCM), which is proposed to promote new centriole assembly by concentrating gamma-tubulin. Here, we quantitatively monitor new centriole assembly in living Caenorhabditis elegans embryos, focusing on the conserved components SAS-4 and SAS-6. We show that SAS-4 and SAS-6 are coordinately recruited to the site of new centriole assembly and reach their maximum levels during S phase. Centriolar SAS-6 is subsequently reduced by a mechanism intrinsic to the early assembly pathway that does not require progression into mitosis. Centriolar SAS-4 remains in dynamic equilibrium with the cytoplasmic pool until late prophase, when it is stably incorporated in a step that requires gamma-tubulin and microtubule assembly. These results indicate that gamma-tubulin in the PCM stabilizes the nascent daughter centriole by promoting microtubule addition to its outer wall. Such a mechanism may help restrict new centriole assembly to the vicinity of preexisting parent centrioles that recruit PCM.

  2. Abundance and Temperature Dependency of Protein-Protein Interaction Revealed by Interface Structure Analysis and Stability Evolution.

    PubMed

    He, Yi-Ming; Ma, Bin-Guang

    2016-05-25

    Protein complexes are major forms of protein-protein interactions and implement essential biological functions. The subunit interface in a protein complex is related to its thermostability. Though the roles of interface properties in thermal adaptation have been investigated for protein complexes, the relationship between the interface size and the expression level of the subunits remains unknown. In the present work, we studied this relationship and found a positive correlation in thermophiles rather than mesophiles. Moreover, we found that the protein interaction strength in complexes is not only temperature-dependent but also abundance-dependent. The underlying mechanism for the observed correlation was explored by simulating the evolution of protein interface stability, which highlights the avoidance of misinteraction. Our findings make more complete the picture of the mechanisms for protein complex thermal adaptation and provide new insights into the principles of protein-protein interactions.

  3. Abundance and Temperature Dependency of Protein-Protein Interaction Revealed by Interface Structure Analysis and Stability Evolution

    PubMed Central

    He, Yi-Ming; Ma, Bin-Guang

    2016-01-01

    Protein complexes are major forms of protein-protein interactions and implement essential biological functions. The subunit interface in a protein complex is related to its thermostability. Though the roles of interface properties in thermal adaptation have been investigated for protein complexes, the relationship between the interface size and the expression level of the subunits remains unknown. In the present work, we studied this relationship and found a positive correlation in thermophiles rather than mesophiles. Moreover, we found that the protein interaction strength in complexes is not only temperature-dependent but also abundance-dependent. The underlying mechanism for the observed correlation was explored by simulating the evolution of protein interface stability, which highlights the avoidance of misinteraction. Our findings make more complete the picture of the mechanisms for protein complex thermal adaptation and provide new insights into the principles of protein-protein interactions. PMID:27220911

  4. Cell cycle regulators interact with pathways that modulate microtubule stability in Saccharomyces cerevisiae.

    PubMed

    Shohat-Tal, Aya; Eshel, Dan

    2011-12-01

    The integrity of mitosis is dependent upon strict regulation of microtubule stability and dynamics. Although much information has been accumulated on regulators of the microtubule cytoskeleton, our knowledge of the specific pathways involved is still limited. Here we designed genetic screens to identify regulators of microtubule stability that are dispensable in the wild type yet become essential under microtubule-disrupting conditions. We found that the transcriptional cofactor Swi6p and activator Swi4p, as well as the G(2)/M-specific cyclin Clb2p, are required in a microtubule-destabilizing environment. Swi6p and Swi4p can combine as a transcriptional complex, called the SBF complex (SBF for Swi4/6 cell cycle box [SCB]-binding factor) that is functionally homologous to the metazoan DP1/2-E2F complex and that controls the G(1)/S transition through the genes it regulates. We show that Swi6p's contribution to microtubule stability can be either dependent or independent of the SBF complex. The SBF-dependent pathway requires downregulation of SBF complex levels and may thereby reroute the transcriptional program in favor of greater microtubule stability. This pathway can be triggered by overexpression of Fcp1p, a phosphatase in the general transcription machinery, or by expression of an allele of SWI6 that is associated with reduced transcription from SBF-controlled promoters. The SBF-independent pathway is activated by a constitutively nuclear allele of Swi6p. Our results introduce novel roles in microtubule stability for genes whose participation in the process may be masked under normal conditions yet nonetheless acquire a dominant role when microtubule stability is compromised.

  5. Improvement in coercivity, thermal stability, and corrosion resistance of sintered Nd-Fe-B magnets with Dy80Ga20 intergranular addition

    NASA Astrophysics Data System (ADS)

    Zhou, Beibei; Li, Xiangbin; Cao, Xuejing; Yan, Gaolin; Yan, Aru

    2016-11-01

    To investigate the coercivity, corrosion resistance, and thermal stability of Nd-Fe-B magnets, their properties were investigated at room and high temperature before and after doping with Dy80Ga20 (at.%) powder. The coercivity of the magnets increased from the undoped value of 12.72 kOe to a doped value of 21.44 kOe. A micro-structural analysis indicates that a well-developed core-shell structure forms in the magnets doped with Dy80Ga20 powder. The improvement in magnetic properties is believed to be related to the refined and uniform matrix grains, continuous grain boundaries, and a hardened (Nd, Dy)2Fe14B shell surrounding the matrix grains. Additionally, the doped magnets exhibit an obvious improvement in thermal stability. For the magnets with added Dy80Ga20 powder, the temperature coefficients of remanence (α) and coercivity (β) increased to -0.106% °C-1 and -0.60% °C-1 over the range 20-100 °C, compared to temperature coefficients of -0.117% °C-1 (α) and -0.74% °C-1 (β) in the regular magnets without Dy80Ga20 powder. The irreversible loss of magnetic flux (Hirr) was investigated at different temperatures. After being exposed to 150 °C for 2 h, the Hirr of magnets with 4 wt.% Dy80Ga20 decreased by ˜95% compared to that of the undoped magnets. The enhanced temperature coefficients and Hirr indicate improved thermal stability in the doped Nd-Fe-B magnets. The intergranular addition of Dy80Ga20 also improved the corrosion resistance of the magnets because of the enhanced intergranular phase. In a corrosive atmosphere for 96 h, the mass loss of the sintered magnets with 4 wt.% Dy80Ga20 was 2.68 mg/cm2, less than 10% of that suffered by the undoped magnets (28.1 mg/cm2). Project supported by the Ministry of Science and Technology of China (Grant Nos. 2014DFB50130 and 2011CB612304) and the National Natural Science Foundation of China (Grant Nos. 51172168 and 51072139).

  6. The Interaction of Microtubules with Stabilizers Characterized at Biochemical and Structural Levels

    NASA Astrophysics Data System (ADS)

    Díaz, J. F.; Andreu, J. M.; Jiménez-Barbero, J.

    Since the discovery of paclitaxel and its peculiar mechanism of cytotoxicity, which has made it and its analogues widely used antitumour drugs, great effort has been made to understand the way they produce their effect in microtubules and to find other products that share this effect without the undesired side effects of low solubility and development of multidrug resistance by tumour cells. This chapter reviews the actual knowledge about the biochemical and structural mechanisms of microtubule stabilization by microtubule stabilizing agents, and illustrates the way paclitaxel and its biomimetics induce microtubule assembly, the thermodynamics of their binding, the way they reach their binding site and the conformation they have when bound.

  7. Host-guest interaction between pinocembrin and cyclodextrins: Characterization, solubilization and stability

    NASA Astrophysics Data System (ADS)

    Zhou, Shu-Ya; Ma, Shui-Xian; Cheng, Hui-Lin; Yang, Li-Juan; Chen, Wen; Yin, Yan-Qing; Shi, Yi-Min; Yang, Xiao-Dong

    2014-01-01

    The inclusion complexation behavior, characterization and binding ability of pinocembrin with β-cyclodextrin (β-CD) and its derivative 2-hydroxypropyl-β-cyclodextrin (HPβCD) were investigated in both solution and the solid state by means of XRD, DSC, 1H and 2D NMR and UV-vis spectroscopy. The results showed that the water solubility and thermal stability of pinocembrin were obviously increased in the inclusion complex with cyclodextrins. This satisfactory water solubility and high stability of the pinocembrin/CD complexes will be potentially useful for their application as herbal medicines or healthcare products.

  8. Interaction of sugar stabilized silver nanoparticles with the T-antigen specific lectin, jacalin from Artocarpus integrifolia.

    PubMed

    Ayaz Ahmed, Khan Behlol; Mohammed, Ansari Sulthan; Veerappan, Anbazhagan

    2015-06-15

    The advances in nanomedicine demonstrate the anticancer properties of silver nanoparticles (AgNPs) and considered as an alternative to the available chemotherapeutic agents. Owing to the preferential interaction of Artocarpus integrifolia lectin (jacalin) with Galβ1-3GalNAcα (a chemically well-defined tumor associated antigen), a study was undertaken to understand the interaction mechanism of AgNPs with jacalin in presence of specific sugar, galactose. Fluorescence spectroscopic analysis revealed that the AgNPs binding significantly quenched the intrinsic fluorescence of jacalin through a static quenching mechanism, and a non-radiative energy transfer occurred within the molecules. Association constants obtained from the interaction of different sugar-stabilized AgNPs with jacalin are in the order of 10(4)M(-1), this is in the same range as those obtained for the interaction of lectin with carbohydrate and hydrophobic ligand. Each subunit of the tetrameric jacalin binds one AgNPs, and the stoichiometry was unaffected by the presence of the specific sugar, galactose. Hemagglutination assay shows that sugar stabilized AgNPs interacts to jacalin at a site that is different from the saccharide-binding site. Analysis of the FTIR spectra of jacalin indicates that the binding of AgNPs does not alter the secondary structure of jacalin. More importantly, AgNPs exists in nano form even after interacting with the lectin. These results suggest that the development of lectin-AgNPs conjugate would be possible for diagnosis and treatment of cancer.

  9. Interaction of sugar stabilized silver nanoparticles with the T-antigen specific lectin, jacalin from Artocarpus integrifolia

    NASA Astrophysics Data System (ADS)

    Ayaz Ahmed, Khan Behlol; Mohammed, Ansari Sulthan; Veerappan, Anbazhagan

    2015-06-01

    The advances in nanomedicine demonstrate the anticancer properties of silver nanoparticles (AgNPs) and considered as an alternative to the available chemotherapeutic agents. Owing to the preferential interaction of Artocarpus integrifolia lectin (jacalin) with Galβ1-3GalNAcα (a chemically well-defined tumor associated antigen), a study was undertaken to understand the interaction mechanism of AgNPs with jacalin in presence of specific sugar, galactose. Fluorescence spectroscopic analysis revealed that the AgNPs binding significantly quenched the intrinsic fluorescence of jacalin through a static quenching mechanism, and a non-radiative energy transfer occurred within the molecules. Association constants obtained from the interaction of different sugar-stabilized AgNPs with jacalin are in the order of 104 M-1, this is in the same range as those obtained for the interaction of lectin with carbohydrate and hydrophobic ligand. Each subunit of the tetrameric jacalin binds one AgNPs, and the stoichiometry was unaffected by the presence of the specific sugar, galactose. Hemagglutination assay shows that sugar stabilized AgNPs interacts to jacalin at a site that is different from the saccharide-binding site. Analysis of the FTIR spectra of jacalin indicates that the binding of AgNPs does not alter the secondary structure of jacalin. More importantly, AgNPs exists in nano form even after interacting with the lectin. These results suggest that the development of lectin-AgNPs conjugate would be possible for diagnosis and treatment of cancer.

  10. Interacting modified Chaplygin gas in f(T) gravity framework and analysis of its stability against gravitational perturbation

    NASA Astrophysics Data System (ADS)

    Chattopadhyay, Surajit

    In this work, we investigate the cosmological application of modified Chaplygin gas (MCG) interacting with pressureless dark matter (DM) in the f(T) modified gravity framework, where T is the torsion scalar in teleparallelism. The interaction term has been chosen proportional to the MCG density with positive coupling constant. In the Einstein general relativity (GR) framework, the interacting MCG has been found to have equation of state (EoS) parameter behaving like quintessence. However, the f(T) gravity reconstructed via the interacting MCG has been found to have EoS crossing the phantom boundary of ‑ 1. Thus, one can generate a quintom-like EoS from an interacting MCG model in flat universe in the modified gravity cosmology framework. The reconstructed f(T) model has been found to interpolate between dust and ΛCDM. Stability of the reconstructed f(T) has been investigated and it has been observed that the model is stable against gravitational perturbation. Cosmological evolution of primordial perturbations has also been investigated and the self-interacting potential has been found to increase with cosmic time and the squared speed of sound has been found to be non-negative.

  11. Effect of Lactobacillus buchneri, Lactobacillus fermentum, Leuconostoc mesenteroides inoculants, or a chemical additive on the fermentation, aerobic stability, and nutritive value of crimped wheat grains.

    PubMed

    Adesogan, A T; Salawu, M B; Ross, A B; Davies, D R; Brooks, A E

    2003-05-01

    The preservation of crimped wheat grains by three bacterial inoculants or a chemical additive was compared. Crimped wheat grain [56.8 g dry matter (DM)/kg] was conserved in 1.75-kg plastic bag, mini-silos without treatment, with 4L/tonne of Crimpstore (CS; an additive containing a mixture of ammonium formate, propionate, ethyl benzoate, and benzoate, SAS Kelvin Cave, Ltd., UK) or 1 x 10(5) cfu/g of each of three inoculant additives containing Lactobacillus fermentum (A), Leuconostoc mesenteroides (B), and Lactobacillus buchneri (C). Six replicates were conserved per treatment. Ensiling DM losses, chemical composition, fermentation characteristics, and aerobic stability were measured in the silages after 68 d of ensiling. All the silages were well fermented and remained stable for 84 h after aeration. Subsequently, the rate of deterioration was slowest in crimped grains treated with CS treatment, followed by those treated with inoculant C, while those treated with inoculant A deteriorated most rapidly. Residual water-soluble carbohydrate concentration was higher in crimped grains treated with CS than those treated with the inoculants. Ammonia nitrogen concentrations were lowest in CS-treated crimped grains, followed by inoculants C and A. DM losses were greater in CS-treated crimped grains than in crimped grains treated with inoculants A and C. In vivo digestibility was also measured in Texel-cross lambs fed a grass silage basal diet supplemented with the additive-treated crimped grains or a conventional, lamb finisher concentrate. Dry matter intake and digestibility were unaffected by treatment. In conclusion, bacterial inoculants containing L. buchneri are promising preservatives for crimped wheat grains.

  12. Global stability for an inverse problem in soil–structure interaction

    PubMed Central

    Alessandrini, G.; Morassi, A.; Rosset, E.; Vessella, S.

    2015-01-01

    We consider the inverse problem of determining the Winkler subgrade reaction coefficient of a slab foundation modelled as a thin elastic plate clamped at the boundary. The plate is loaded by a concentrated force and its transversal deflection is measured at the interior points. We prove a global Hölder stability estimate under (mild) regularity assumptions on the unknown coefficient. PMID:26345082

  13. Psychological Stability of a Personality and Capability of Tolerant Interaction as Diverse Manifestations of Tolerance

    ERIC Educational Resources Information Center

    Belasheva, Irina Valeryevna; Petrova, Nina Fedorovna

    2016-01-01

    Present article addresses studying tolerance as a factor of personality stability, which manifests on the level of interpersonal relationships and on the level of intra-personal system of stressors resistance. The article includes theoretical analysis of the tolerance construct as an integrative personality formation. It explores the question of…

  14. Stability and Change in Early Childhood Classroom Interactions during the First Two Hours of a Day

    ERIC Educational Resources Information Center

    Curby, Timothy W.; Grimm, Kevin J.; Pianta, Robert C.

    2010-01-01

    Early childhood classrooms support children's learning in a variety of ways. Of critical importance are the interactions teachers have with children. The type and quality of classroom interactions vary and can be grouped into three domains: instructional, organizational, and emotional. The purpose of this study is to examine the extent to which…

  15. Explicit Instructional Interactions: Observed Stability and Predictive Validity during Early Literacy and Beginning Mathematics Instruction

    ERIC Educational Resources Information Center

    Doabler, Christian T.; Nelson-Walker, Nancy; Kosty, Derek; Baker, Scott K.; Smolkowski, Keith; Fien, Hank

    2013-01-01

    In this study, the authors conceptualize teaching episodes such as an integrated set of observable student-teacher interactions. Instructional interactions that take place between teachers and students around critical academic content are a defining characteristic of classroom instruction and a component carefully defined in many education…

  16. Computational studies on the interactions among redox couples, additives and TiO2: implications for dye-sensitized solar cells.

    PubMed

    Asaduzzaman, Abu Md; Schreckenbach, Georg

    2010-11-21

    One of the major and unique components of dye-sensitized solar cells (DSSC) is the iodide/triiodide redox couple. Periodic density-functional calculations have been carried out to study the interactions among three different components of the DSSC, i.e. the redox shuttle, the TiO(2) semiconductor surface, and nitrogen containing additives, with a focus on the implications for the performance of the DSSC. Iodide and bromide with alkali metal cations as counter ions are strongly adsorbed on the TiO(2) surface. Small additive molecules also strongly interact with TiO(2). Both interactions induce a negative shift of the Fermi energy of TiO(2). The negative shift of the Fermi energy is related to the performance of the cell by increasing the open voltage of the cell and retarding the injection dynamics (decreasing the short circuit current). Additive molecules, however, have relatively weaker interaction with iodide and triiodide.

  17. Particulate contamination and stability of three additives in 0.9% sodium chloride injection in plastic and glass large-volume containers.

    PubMed

    Stokes, T F; Sumner, E D; Needham, T E

    1975-08-01

    The effect of particulate matter and stability of three parenteral drugs upon addition to glass and flexible polyvinyl chloride containers of 0.9% sodium chloride injection was studied. Aminophylline, lidocaine hydrochloric and metaraminol bitartrate were added to the solution in therapeutic quantities using techniques normally practiced by the hospital pharmacist. Statistical comparisons of the amount of particulate matter present were made for each solution consisting of drug added to plastic and glass bottles, drug filtered through a 0.22-mum filter and then added to the solution in plastic bags, controls for bags and bottles, and solutions with adjusted pH values to simulate the pH attained after addition of the drug to the solution. A correlation appeared to exist between the quantity of particulate matter and the amount of unfiltered drug solution added to the large-volume parenteral containers. Differences in storage and handling had an influence on the initial quantity of particles found in the plastic bags, no significant change in concentration of the drugs occurred during the 24-hour test period.

  18. Magnetic Radial Vortex Stabilization and Efficient Manipulation Driven by the Dzyaloshinskii-Moriya Interaction and Spin-Transfer Torque

    NASA Astrophysics Data System (ADS)

    Siracusano, G.; Tomasello, R.; Giordano, A.; Puliafito, V.; Azzerboni, B.; Ozatay, O.; Carpentieri, M.; Finocchio, G.

    2016-08-01

    Solitons are very promising for the design of the next generation of ultralow power devices for storage and computation. The key ingredient to achieving this goal is the fundamental understanding of their stabilization and manipulation. Here, we show how the interfacial Dzyaloshinskii-Moriya Interaction (IDMI) is able to lift the energy degeneracy of a magnetic vortex state by stabilizing a topological soliton with radial chirality, hereafter called radial vortex. It has a noninteger Skyrmion number S (0.5 <|S |<1 ) due to both the vortex core polarity and the magnetization tilting induced by the IDMI boundary conditions. Micromagnetic simulations predict that a magnetoresistive memory based on the radial vortex state in both free and polarizer layers can be efficiently switched by a threshold current density smaller than 106 A /cm2 . The switching processes occur via the nucleation of topologically connected vortices and vortex-antivortex pairs, followed by spin-wave emissions due to vortex-antivortex annihilations.

  19. Compensatory interactions to stabilize multiple steady states or mitigate the effects of multiple deregulations in biological networks

    NASA Astrophysics Data System (ADS)

    Yang, Gang; Campbell, Colin; Albert, Réka

    2016-12-01

    Complex diseases can be modeled as damage to intracellular networks that results in abnormal cell behaviors. Network-based dynamic models such as Boolean models have been employed to model a variety of biological systems including those corresponding to disease. Previous work designed compensatory interactions to stabilize an attractor of a Boolean network after single node damage. We generalize this method to a multinode damage scenario and to the simultaneous stabilization of multiple steady state attractors. We classify the emergent situations, with a special focus on combinatorial effects, and characterize each class through simulation. We explore how the structural and functional properties of the network affect its resilience and its possible repair scenarios. We demonstrate the method's applicability to two intracellular network models relevant to cancer. This work has implications in designing prevention strategies for complex disease.

  20. Synthesis, crystal structure and DFT studies of a Zinc(II) complex of 1,3-diaminopropane (Dap), [Zn(Dap)(NCS)2][Zn(Dap)(NCS)2]n. The additional stabilizing role of S⋯π chalcogen bond

    NASA Astrophysics Data System (ADS)

    Alotaibi, Mshari A.; Alharthi, Abdulrahman I.; Zierkiewicz, Wiktor; Akhtar, Muhammad; Tahir, Muhammad Nawaz; Mazhar, Muhammad; Isab, Anvarhusein A.; Ahmad, Saeed

    2017-04-01

    A zinc(II) complex of 1,3-diaminopropane (Dap), [Zn(Dap)(NCS)2][Zn(Dap)(NCS)2]n (1) has been prepared and characterized by elemental analysis, IR, 1H &13C NMR spectroscopy, and its crystal structure was determined by X-ray crystallography. The crystal structure of 1 consists of two types of molecules, a discrete monomer and a polymeric one. In the monomeric unit, the zinc atom is bound to one terminal Dap molecule and to two N-bound thiocyanate ions, while in the polymeric unit, Dap acts as a bridging ligand forming a linear chain. The Zn(II) ions in both assume a slightly distorted tetrahedral geometry. The structures of two systems: the [Zn(Dap)(NCS)2][Zn(Dap)(NCS)2]3 complex as a model of 1 and [Zn(Dap)(NCS)2]4 as a simple polymeric structure were optimized with the B3LYP-D3 method. The DFT results support that the experimentally determined structure (1) is more stable in comparison to a simple polymeric structure, [Zn(Dap)(NCS)2]n (2). The interaction energies (ΔE) for NCS anions obtained by B3LYP-D3 method are about -145 kcal mol-1, while the calculated ΔE values for neutral organic ligands are about twice smaller. The X-ray structure of 1 shows that the complex is stabilized mainly by hydrogen bonds. We also found that weak chalcogen bonds play an additional role in stabilization of compound 1. Some of the intermolecular S⋯N distances are smaller than the sum of the van der Waals radii of the corresponding atoms. To the best of our knowledge, this is the first study that shows the structure where the trivalent sulfur is involved in formation of a S⋯π chalcogen bond. The NBO and NCI analyses confirm the existence of this kind of interactions.

  1. Cation-π, amino-π, π-π, and H-bond interactions stabilize antigen-antibody interfaces.

    PubMed

    Dalkas, Georgios A; Teheux, Fabian; Kwasigroch, Jean Marc; Rooman, Marianne

    2014-09-01

    The identification of immunogenic regions on the surface of antigens, which are able to stimulate an immune response, is a major challenge for the design of new vaccines. Computational immunology aims at predicting such regions--in particular B-cell epitopes--but is far from being reliably applicable on a large scale. To gain understanding into the factors that contribute to the antigen-antibody affinity and specificity, we perform a detailed analysis of the amino acid composition and secondary structure of antigen and antibody surfaces, and of the interactions that stabilize the complexes, in comparison with the composition and interactions observed in other heterodimeric protein interfaces. We make a distinction between linear and conformational B-cell epitopes, according to whether they consist of successive residues along the polypeptide chain or not. The antigen-antibody interfaces were shown to differ from other protein-protein interfaces by their smaller size, their secondary structure with less helices and more loops, and the interactions that stabilize them: more H-bond, cation-π, amino-π, and π-π interactions, and less hydrophobic packing; linear and conformational epitopes can clearly be distinguished. Often, chains of successive interactions, called cation/amino-π and π-π chains, are formed. The amino acid composition differs significantly between the interfaces: antigen-antibody interfaces are less aliphatic and more charged, polar and aromatic than other heterodimeric protein interfaces. Moreover, paratopes and epitopes-albeit to a lesser extent-have amino acid compositions that are distinct from general protein surfaces. This specificity holds promise for improving B-cell epitope prediction.

  2. Interaction of age and mechanical stability on bone defect healing: an early transcriptional analysis of fracture hematoma in rat.

    PubMed

    Ode, Andrea; Duda, Georg N; Geissler, Sven; Pauly, Stephan; Ode, Jan-Erik; Perka, Carsten; Strube, Patrick

    2014-01-01

    Among other stressors, age and mechanical constraints significantly influence regeneration cascades in bone healing. Here, our aim was to identify genes and, through their functional annotation, related biological processes that are influenced by an interaction between the effects of mechanical fixation stability and age. Therefore, at day three post-osteotomy, chip-based whole-genome gene expression analyses of fracture hematoma tissue were performed for four groups of Sprague-Dawley rats with a 1.5-mm osteotomy gap in the femora with varying age (12 vs. 52 weeks - biologically challenging) and external fixator stiffness (mechanically challenging). From 31099 analysed genes, 1103 genes were differentially expressed between the six possible combinations of the four groups and from those 144 genes were identified as statistically significantly influenced by the interaction between age and fixation stability. Functional annotation of these differentially expressed genes revealed an association with extracellular space, cell migration or vasculature development. The chip-based whole-genome gene expression data was validated by q-RT-PCR at days three and seven post-osteotomy for MMP-9 and MMP-13, members of the mechanosensitive matrix metalloproteinase family and key players in cell migration and angiogenesis. Furthermore, we observed an interaction of age and mechanical stimuli in vitro on cell migration of mesenchymal stromal cells. These cells are a subpopulation of the fracture hematoma and are known to be key players in bone regeneration. In summary, these data correspond to and might explain our previously described biomechanical healing outcome after six weeks in response to fixation stiffness variation. In conclusion, our data highlight the importance of analysing the influence of risk factors of fracture healing (e.g. advanced age, suboptimal fixator stability) in combination rather than alone.

  3. Conserved interaction of Ctf18-RFC with DNA polymerase ε is critical for maintenance of genome stability in Saccharomyces cerevisiae.

    PubMed

    Okimoto, Hiroko; Tanaka, Seiji; Araki, Hiroyuki; Ohashi, Eiji; Tsurimoto, Toshiki

    2016-05-01

    Human Ctf18-RFC, a PCNA loader complex, interacts with DNA polymerase ε (Polε) through a structure formed by the Ctf18, Dcc1 and Ctf8 subunits. The C-terminal stretch of Ctf18, which is highly conserved from yeast to human, is necessary to form the Polε-capturing structure. We found that in the budding yeast Saccharomyces cerevisiae, Ctf18, Dcc1 and Ctf8 formed the same structure through the conserved C-terminus and interacted specifically with Polε. Thus, the specific interaction of Ctf18-RFC with Polε is a conserved feature between these proteins. A C-terminal deletion mutant of Ctf18 (ctf18(ΔC) ) exhibited the same high sensitivity to hydroxyurea as the complete deletion strain (ctf18Δ) or ATPase-deficient mutant (ctf18(K189A) ), but was somewhat less sensitive to methyl methanesulfonate than either of them. These phenotypes were also observed in dcc1Δ and ctf8Δ, predicted to be deficient in the interaction with Polε. Furthermore, both plasmid loss and gross chromosomal rearrangement (GCR) rates were increased in ctf18(ΔC) cells to the same extent as in ctf18Δ cells. These results indicate that the Ctf18-RFC/Polε interaction plays a crucial role in maintaining genome stability in budding yeast, probably through recruitment of this PCNA loader to the replication fork.

  4. The dopaminergic stabilizer ASP2314/ACR16 selectively interacts with D2(High) receptors.

    PubMed

    Seeman, Philip; Tokita, Kenichi; Matsumoto, Mitsuyuki; Matsuo, Ayako; Sasamata, Masao; Miyata, Keiji

    2009-10-01

    Dopaminergic stabilizers are recognized as compounds that can either enhance or antagonize dopamine (DA)-dependent behaviors depending on the prevailing dopaminergic tone. The dopaminergic stabilizer ASP2314 is being tested clinically and has been reported to have antipsychotic effects in a clinical trial as an add on medication. To elucidate the mechanisms of action of this dopaminergic stabilizer, its potency on the functional dopamine D2(High) receptors was examined. In competition with D2 receptors selectively labeled by [3H]domperidone, ASP2314 had a dissociation constant, Ki(High), of 1.62 microM for D2(High) in human cloned D2Long receptors and 0.83 muM for rat homogenized striata. Using the D2 agonist ligand [3H](+)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol ((+)PHNO), ASP2314 had a high-affinity Ki of 32 nM for D2(High) for rat homogenized striata. ASP2314 stimulated the incorporation of [35S]GTP-gamma-S into rat striata by 50% at 43 nM, and into the cloned D2Long membranes by 50% at 3.2 microM (compared to 100% stimulation by 10 microM dopamine). With similar concentrations of ASP2314 inhibiting the binding of ligands at D2(High) and stimulating [35S]GTP-gamma-S incorporation, the data indicate that the dopaminergic stabilizing action of ASP2314 may be related to the selectivity for the D2(high) state of the D2 receptor.

  5. Stimulation, Inhibition, or Stabilization of Na,K-ATPase Caused by Specific Lipid Interactions at Distinct Sites

    PubMed Central

    Habeck, Michael; Haviv, Haim; Katz, Adriana; Kapri-Pardes, Einat; Ayciriex, Sophie; Shevchenko, Andrej; Ogawa, Haruo; Toyoshima, Chikashi; Karlish, Steven J. D.

    2015-01-01

    The activity of membrane proteins such as Na,K-ATPase depends strongly on the surrounding lipid environment. Interactions can be annular, depending on the physical properties of the membrane, or specific with lipids bound in pockets between transmembrane domains. This paper describes three specific lipid-protein interactions using purified recombinant Na,K-ATPase. (a) Thermal stability of the Na,K-ATPase depends crucially on a specific interaction with 18:0/18:1 phosphatidylserine (1-stearoyl-2-oleoyl-sn-glycero-3-phospho-l-serine; SOPS) and cholesterol, which strongly amplifies stabilization. We show here that cholesterol associates with SOPS, FXYD1, and the α subunit between trans-membrane segments αTM8 and -10 to stabilize the protein. (b) Polyunsaturated neutral lipids stimulate Na,K-ATPase turnover by >60%. A screen of the lipid specificity showed that 18:0/20:4 and 18:0/22:6 phosphatidylethanolamine (PE) are the optimal phospholipids for this effect. (c) Saturated phosphatidylcholine and sphingomyelin, but not saturated phosphatidylserine or PE, inhibit Na,K-ATPase activity by 70–80%. This effect depends strongly on the presence of cholesterol. Analysis of the Na,K-ATPase activity and E1-E2 conformational transitions reveals the kinetic mechanisms of these effects. Both stimulatory and inhibitory lipids poise the conformational equilibrium toward E2, but their detailed mechanisms of action are different. PE accelerates the rate of E1 → E2P but does not affect E2(2K)ATP → E13NaATP, whereas sphingomyelin inhibits the rate of E2(2K)ATP → E13NaATP, with very little effect on E1 → E2P. We discuss these lipid effects in relation to recent crystal structures of Na,K-ATPase and propose that there are three separate sites for the specific lipid interactions, with potential physiological roles to regulate activity and stability of the pump. PMID:25533463

  6. Stimulation, inhibition, or stabilization of Na,K-ATPase caused by specific lipid interactions at distinct sites.

    PubMed

    Habeck, Michael; Haviv, Haim; Katz, Adriana; Kapri-Pardes, Einat; Ayciriex, Sophie; Shevchenko, Andrej; Ogawa, Haruo; Toyoshima, Chikashi; Karlish, Steven J D

    2015-02-20

    The activity of membrane proteins such as Na,K-ATPase depends strongly on the surrounding lipid environment. Interactions can be annular, depending on the physical properties of the membrane, or specific with lipids bound in pockets between transmembrane domains. This paper describes three specific lipid-protein interactions using purified recombinant Na,K-ATPase. (a) Thermal stability of the Na,K-ATPase depends crucially on a specific interaction with 18:0/18:1 phosphatidylserine (1-stearoyl-2-oleoyl-sn-glycero-3-phospho-L-serine; SOPS) and cholesterol, which strongly amplifies stabilization. We show here that cholesterol associates with SOPS, FXYD1, and the α subunit between trans-membrane segments αTM8 and -10 to stabilize the protein. (b) Polyunsaturated neutral lipids stimulate Na,K-ATPase turnover by >60%. A screen of the lipid specificity showed that 18:0/20:4 and 18:0/22:6 phosphatidylethanolamine (PE) are the optimal phospholipids for this effect. (c) Saturated phosphatidylcholine and sphingomyelin, but not saturated phosphatidylserine or PE, inhibit Na,K-ATPase activity by 70-80%. This effect depends strongly on the presence of cholesterol. Analysis of the Na,K-ATPase activity and E1-E2 conformational transitions reveals the kinetic mechanisms of these effects. Both stimulatory and inhibitory lipids poise the conformational equilibrium toward E2, but their detailed mechanisms of action are different. PE accelerates the rate of E1 → E2P but does not affect E2(2K)ATP → E13NaATP, whereas sphingomyelin inhibits the rate of E2(2K)ATP → E13NaATP, with very little effect on E1 → E2P. We discuss these lipid effects in relation to recent crystal structures of Na,K-ATPase and propose that there are three separate sites for the specific lipid interactions, with potential physiological roles to regulate activity and stability of the pump.

  7. Interactive effects of molasses by homofermentative and heterofermentative inoculants on fermentation quality, nitrogen fractionation, nutritive value and aerobic stability of wilted alfalfa (Medicago sativa L) silage.

    PubMed

    Hashemzadeh-Cigari, F; Khorvash, M; Ghorbani, G R; Ghasemi, E; Taghizadeh, A; Kargar, S; Yang, W Z

    2014-04-01

    The effect of adding molasses (0, UM or 50 g/kg on DM basis, M) and two types of inoculant including homofermentative (HO) and a combination of homofermentative and propionate-producing bacterial (HOPAB) inoculants on silage fermentation quality, nitrogen fractionation and aerobic stability of pre-bloom, wilted alfalfa (AS) was determined in laboratory silos. The HOPAB inoculant was more effective than HO in reducing the alfalfa silage pH but increased propionate content in the absence of M (p < 0.05). Inoculation of HOPAB reduced (p < 0.01) acid detergent fibre (ADF) and increased (p < 0.01) lactate to acetate ratio compared with uninoculated AS. Acetate concentration was lower (p < 0.01) in HOPAB-inoculated than other AS. This difference was more pronounced in M-added AS (inoculants × M interaction, p = 0.01). Both inoculants reduced (p < 0.01) ammonia-N content in AS added with M, whereas only HOPAB decreased (p < 0.01) ammonia-N concentration in silage without M. Inoculants increased (p < 0.01) B2 fraction in AS with M addition but had no effect on AS without M. Treating silages with HO-UM increased (p < 0.05) C fraction (acid-detergent insoluble-N) but HOPAB decreased C fraction at two levels of M. Treating alfalfa crop with M and HOPAB improved aerobic stability by increasing the concentration of acetate and propionate of AS respectively. Adding M tended (p < 0.10) to increase short-chain fatty acids (SCFA) and cumulative gas production (CGP). HOPAB alone increased DM disappearance at 24 h post-incubation and effective degradability assuming outflow rate of 8%/h relative to untreated AS (p < 0.05). It was concluded that adding M had no pronounced effects on AS fermentation quality, but increased aerobic stability. HOPAB-inoculated AS with no addition of M improved fermentation quality and increased DM degradability compared with HO.

  8. C-H…pi interactions in proteins: prevalence, pattern of occurrence, residue propensities, location, and contribution to protein stability.

    PubMed

    Kumar, Manjeet; Balaji, Petety V

    2014-02-01

    C-H…pi interactions are a class of non-covalent interactions found in different molecular systems including organic crystals, proteins and nucleic acids. High-resolution protein structures have been analyzed in the present study to delineate various aspects of C-H…pi interactions. Additionally, to determine the extent to which redundancy of a database biases the outcome, two datasets differing from each other in the level of redundancy have been analyzed. On average, only one out of six {with C-H(Aro) group} or eight {with C-H(Ali) group} residues in a protein participate as C-H group donors. Neither the frequency of occurrence in proteins nor the number of C-H groups present in it is correlated to the propensity of an amino acid to participate in C-H…pi interactions. Most of the residues that participate in C-H…pi interactions are solvent-shielded. Solvent shielded nature of most of the C-H…pi interactions and prevalence of intra- as well as inter-secondary structural element C-H…pi interactions suggest that the contribution of these interactions to the enthalpy of folded form will be significant. The separation in the primary structure between donor and acceptor residues is found to be correlated to secondary structure type. Other insights obtained from this study include the presence of networks of C-H…pi interactions spanning multiple secondary structural elements. To our knowledge this has not been reported so far. A substantial number of residues involved in C-H…pi interactions are found in catalytic and ligand binding sites suggesting their possible role in maintaining active site geometry. No significant differences of C-H…pi interactions in the two datasets are found for any of the parameters/features analyzed.

  9. Additive interaction between heterogeneous environmental quality domains (air, water, land, sociodemographic and built environment) on preterm birth

    EPA Science Inventory

    BACKGROUND Environmental exposures often occur in tandem; however, epidemiological research often focuses on singular exposures. Statistical interactions among broad, well-characterized environmental domains have not yet been evaluated in association with health. We address this ...

  10. The Cα—H⋅⋅⋅O hydrogen bond: A determinant of stability and specificity in transmembrane helix interactions

    PubMed Central

    Senes, Alessandro; Ubarretxena-Belandia, Iban; Engelman, Donald M.

    2001-01-01

    The Cα—H⋅⋅⋅O hydrogen bond has been given little attention as a determinant of transmembrane helix association. Stimulated by recent calculations suggesting that such bonds can be much stronger than has been supposed, we have analyzed 11 known membrane protein structures and found that apparent carbon α hydrogen bonds cluster frequently at glycine-, serine-, and threonine-rich packing interfaces between transmembrane helices. Parallel right-handed helix–helix interactions appear to favor Cα—H⋅⋅⋅O bond formation. In particular, Cα—H⋅⋅⋅O interactions are frequent between helices having the structural motif of the glycophorin A dimer and the GxxxG pair. We suggest that Cα—H⋅⋅⋅O hydrogen bonds are important determinants of stability and, depending on packing, specificity in membrane protein folding. PMID:11481472

  11. Role of ion-pair interactions on asphaltene stabilization by alkylbenzenesulfonic acids.

    PubMed

    Goual, Lamia; Sedghi, Mohammad

    2015-02-15

    The dispersion of asphaltenes by dodecylbenzenesulfonic acid (DBSA) has been the subject of several studies in the past. However, it is unclear how these interactions affect the structure of asphaltenes and why asphaltene aggregates are larger in the presence of ionic DBSA. The main goal of this study was to address these points using a combination of high-resolution transmission electron microscopy (HRTEM) and molecular dynamics (MD) simulations. Another objective was to compare ionic DBSA (i.e., dodecylbenzenesulfonate or DBS(-)) to nonionic amphiphiles such as alkylphenols. A striking similarity between dodecylbenzenesulfonate and alkylphenols was that both favored the formation of filamentary rather than globular asphaltene flocculates. However the mechanism by which those filaments formed was very different. Two strong electrostatic interactions between DBSA and asphaltenes were found: (i) those between protonated asphaltenes (i.e., AH(+)) and DBS(-) molecules, which were fifteen times stronger than asphaltene-alkylphenol interactions, and (ii) those between two asphaltene-dispersant pairs (i.e., AH(+)-DBS(-) ion pairs), which did not exist with alkylphenols. These interactions promoted the formation of large and compact asphaltene flocculates, as compared to small and loose ones formed without DBSA. Flocculates with DBSA could further bind to each other through ion-pair interactions. The binding occurred in series (generating long filaments) or in parallel (generating lateral ramifications). However the series configuration was energetically favored due to less steric effects generated by the side aliphatic chains of asphaltenes and DBSA.

  12. Human papillomavirus 16 E2 stability and transcriptional activation is enhanced by E1 via a direct protein-protein interaction

    SciTech Connect

    King, Lauren E.; Dornan, Edward S.; Donaldson, Mary M.; Morgan, Iain M.

    2011-05-25

    Human papillomavirus 16 E1 and E2 interact with cellular factors to replicate the viral genome. E2 forms homodimers and binds to 12 bp palindromic sequences adjacent to the viral origin and recruits E1 to the origin. E1 forms a di-hexameric helicase complex that replicates the viral genome. This manuscript demonstrates that E1 stabilises the E2 protein, increasing the half life in both C33a and 293 T cells respectively. This stabilisation requires a direct protein--protein interaction. In addition, the E1 protein enhances E2 transcription function in a manner that suggests the E1 protein itself can contribute to transcriptional regulation not simply by E2 stabilisation but by direct stimulation of transcription. This activation of E2 transcription is again dependent upon an interaction with E1. Overall the results suggest that in the viral life cycle, co-expression of E1 with E2 can increase E2 stability and enhance E2 function.

  13. Interaction-free measurements by quantum Zeno stabilization of ultracold atoms

    PubMed Central

    Peise, J.; Lücke, B.; Pezzé, L.; Deuretzbacher, F.; Ertmer, W.; Arlt, J.; Smerzi, A.; Santos, L.; Klempt, C.

    2015-01-01

    Quantum mechanics predicts that our physical reality is influenced by events that can potentially happen but factually do not occur. Interaction-free measurements (IFMs) exploit this counterintuitive influence to detect the presence of an object without requiring any interaction with it. Here we propose and realize an IFM concept based on an unstable many-particle system. In our experiments, we employ an ultracold gas in an unstable spin configuration, which can undergo a rapid decay. The object—realized by a laser beam—prevents this decay because of the indirect quantum Zeno effect and thus, its presence can be detected without interacting with a single atom. Contrary to existing proposals, our IFM does not require single-particle sources and is only weakly affected by losses and decoherence. We demonstrate confidence levels of 90%, well beyond previous optical experiments. PMID:25869121

  14. Influence of H{sub 3}PO{sub 4} additives on interaction between NIMoO{sub 4} and support in Al-Ni-Mo catalysts of hydrogenation

    SciTech Connect

    Sydelkovskaya, V.G.; Surin, S.A.; Nefedov, B.K.

    1995-12-31

    Al-Ni-Mo catalysts produced by mixing of NiMoO{sub 4} and alumina hydrooxide (psevdobemit) were investigated by UV reflectance spectroscopy and combination scattering spectroscopy. The catalysts without H{sub 3}PO{sub 4} additives are characterized by destruction of NiMoO{sub 4} and interaction between Ni, Mo had the support with formation of surface Al-Ni-Mo structures. The study of H{sub 3}PO{sub 4} additives effect on the formation of oxide Ni-Mo phases in the Al-Ni-Mo catalysts has shown, that the introduction of H{sub 3}PO{sub 4} allows to stabilize NiMoO{sub 4} and to prevent its decomposition.

  15. Interaction-stabilized steady states in the driven O (N ) model

    NASA Astrophysics Data System (ADS)

    Chandran, Anushya; Sondhi, S. L.

    2016-05-01

    We study periodically driven bosonic scalar field theories in the infinite N limit. It is well known that the free theory can undergo parametric resonance under monochromatic modulation of the mass term and thereby absorb energy indefinitely. Interactions in the infinite N limit terminate this increase for any choice of the UV cutoff and driving frequency. The steady state has nontrivial correlations and is synchronized with the drive. The O (N ) model at infinite N provides the first example of a clean interacting quantum system that does not heat to infinite temperature at any drive frequency.

  16. Addition of microbially-treated sugar beet residue and a native bacterium increases structural stability in heavy metal-contaminated Mediterranean soils.

    PubMed

    Carrasco, L; Caravaca, F; Azcón, R; Kohler, J; Roldán, A

    2009-10-15

    A mesocosm experiment was conducted to investigate the effect of the addition of Aspergillus niger-treated sugar beet waste, in the presence of rock phosphate, and inoculation with a native, metal-tolerant bacterium, Bacillus thuringiensis, on the stabilisation of soil aggregates of two mine tailings, with differing pH values, from a semiarid Mediterranean area and on the stimulation of growth of Piptatherum miliaceum. Bacterium combined with organic amendment enhanced structural stability (38% in acidic soil and 106% in neutral soil compared with their corresponding controls). Only the organic amendment increased pH, electrical conductivity, water-soluble C, water-soluble carbohydrates and plant growth, in both soils. While in neutral soil both organic amendment and bacterium increased dehydrogenase activity, only organic amendment had a significant effect in acidic soil. This study demonstrates that the use of P. miliaceum in combination with organic amendment and bacterium is a suitable tool for the stabilisation of the soil structure of degraded mine tailings, although its effectiveness is dependent on soil pH.

  17. Determination of Polymer Additives-Antioxidants, Ultraviolet Stabilizers, Plasticizers and Photoinitiators in Plastic Food Package by Accelerated Solvent Extraction Coupled with High-Performance Liquid Chromatography.

    PubMed

    Li, Bo; Wang, Zhi-Wei; Lin, Qin-Bao; Hu, Chang-Ying; Su, Qi-Zhi; Wu, Yu-Mei

    2015-07-01

    An analytical method for the quantitative determination of 4 antioxidants, 9 ultraviolet (UV) stabilizers, 12 phthalate plasticizers and 2 photoinitiators in plastic food package using accelerated solvent extraction (ASE) coupled with high-performance liquid chromatography-photodiode array detector (HPLC-PDA) has been developed. Parameters affecting the efficiency in the process such as extraction and chromatographic conditions were studied in order to determine operating conditions. The analytical method of ASE-HPLC showed good linearity with good correlation coefficients (R ≥ 0.9833). The limits of detection and quantification were between 0.03 and 0.30 µg mL(-1) and between 0.10 and 1.00 µg mL(-1) for 27 analytes. Average spiked recoveries for most analytes in samples were >70.4% at 10, 20 and 40 µg g(-1) spiked levels, except UV-9 and Irganox 1010 (58.6 and 64.0% spiked at 10 µg g(-1), respectively), the relative standard deviations were in the range from 0.4 to 15.4%. The methodology has been proposed for the analysis of 27 polymer additives in plastic food package.

  18. Effect of TeO2 addition on thermal stabilities and 2.7 μm emission properties of fluoroaluminate-tellurite glass

    NASA Astrophysics Data System (ADS)

    Wang, Fengchao; Tian, Ying; Jing, Xufeng; Cai, Muzhi; Zhang, Junjie; Xu, Shiqing

    2015-11-01

    2.7 μm Emission from Er3+ doped fluoroaluminate-tellurite glass is reported. The thermal stability, glass-forming ability, and crystallization kinetics of the fluoroaluminate-tellurite glass with different TeO2 contents are investigated. FTIR spectra and Raman spectra are measured, at the same time Judd-Ofelt intensity parameters are computed to estimate the structural changes due to the addition of TeO2. The 2.7 μm emission characteristics and energy transfer process upon excitation of a conventional 980 nm LD are studied. Based on the absorption spectra, the Judd-Ofelt parameters and radiative properties are calculated and compared with those of other glass hosts. The prepared glass possesses high predicted spontaneous transition probability and large calculated emission cross section. Besides, the energy transfer microscopic parameter of 4I11/2 level and 4I13/2 level was quantitatively analyzed. Hence, these results indicate that this Er3+ doped fluoroaluminate-tellurite glass has potential applications in 2.7 μm laser.

  19. Improvement in enzyme activity and stability by addition of low molecular weight polyethylene glycol to sodium bis(2-ethyl-L-hexyl)sulfosuccinate/isooctane reverse micellar system.

    PubMed

    Talukder, M M R; Takeyama, T; Hayashi, Y; Wu, J C; Kawanishi, T; Shimizu, N; Ogino, C

    2003-08-01

    The activity and stability of Chromobacterium viscosum lipase (glycerolester hydrolase, EC 3.1.1.3)-catalyzed olive oil hydrolysis in sodium bis (2-ethyl-l-hexyl)sulfosuccinate (AOT)/isooctane reverse micelles is increased appreciably when low molecular weight polyethylene glycol (PEG 400) is added to the reverse micelles. To understand the effect of PEG 400 on the phase behavior of the reverse micellar system, the phase diagram of AOT/ PEG 400/water/isooctane system was studied. The influences of relevant parameters on the catalytic activity in AOT/PEG 400 reverse micelles were investigated and compared with the results in the simple AOT reverse micelles. In the presence of PEG 400, the linear decreasing trend of the lipase activity with AOT concentration, which is observed in the simple AOT reverse micelles, disappeared. Enzyme entrapped in AOT/PEG reverse micelles was very stable, retaining >75% of its initial activity after 60 d, whereas the half-life in simple AOT reverse micelles was 38 d. The kinetics parameter maximum velocity (Vmax) exhibiting the temperature dependence and the activation energy obtained by Arrhenius plot was suppressed significantly by the addition of PEG 400.

  20. Sumoylation stabilizes RACK1B and enhance its interaction with RAP2.6 in the abscisic acid response

    PubMed Central

    Guo, Rongkai; Sun, Weining

    2017-01-01

    The highly conserved eukaryotic WD40 repeat protein, Receptor for Activated C Kinase 1 (RACK1), is involved in the abscisic acid (ABA) response in Arabidopsis. However, the regulation of RACK1 and the proteins with which it interacts are poorly understood. Here, we show that RACK1B is sumoylated at four residues, Lys50, Lys276, Lys281 and Lys291. Sumoylation increases RACK1B stability and its tolerance to ubiquitination-mediated degradation in ABA response. As a result, sumoylation leads to enhanced interaction between RACK1B and RAP2.6, an AP2/ERF family transcription factor. RACK1B binds directly to the AP2 domain of RAP2.6, which alters the affinity of RAP2.6 for CE1 and GCC cis-acting regulatory elements. Taken together, our findings illustrate that protein stability controlled by dynamic post-transcriptional modification is a critical regulatory mechanism for RACK1B, which functions as scaffold protein for RAP2.6 in ABA signaling. PMID:28272518

  1. Amyloidogenic Propensity of a Natural Variant of Human Apolipoprotein A-I: Stability and Interaction with Ligands

    PubMed Central

    Rosú, Silvana A.; Rimoldi, Omar J.; Prieto, Eduardo D.; Curto, Lucrecia M.; Delfino, José M.

    2015-01-01

    A number of naturally occurring mutations of human apolipoprotein A-I (apoA-I) have been associated with hereditary amyloidoses. The molecular mechanisms involved in amyloid-associated pathology remain largely unknown. Here we examined the effects of the Arg173Pro point mutation in apoA-I on the structure, stability, and aggregation propensity, as well as on the ability to bind to putative ligands. Our results indicate that the mutation induces a drastic loss of stability, and a lower efficiency to bind to phospholipid vesicles at physiological pH, which could determine the observed higher tendency to aggregate as pro-amyloidogenic complexes. Incubation under acidic conditions does not seem to induce significant desestabilization or aggregation tendency, neither does it contribute to the binding of the mutant to sodium dodecyl sulfate. While the binding to this detergent is higher for the mutant as compared to wt apoA-I, the interaction of the Arg173Pro variant with heparin depends on pH, being lower at pH 5.0 and higher than wt under physiological pH conditions. We suggest that binding to ligands as heparin or other glycosaminoglycans could be key events tuning the fine details of the interaction of apoA-I variants with the micro-environment, and probably eliciting the toxicity of these variants in hereditary amyloidoses. PMID:25950566

  2. Structure and stability of clusters of β-alanine in the gas phase: importance of the nature of intermolecular interactions.

    PubMed

    Piekarski, Dariusz Grzegorz; Díaz-Tendero, Sergio

    2017-02-15

    We present a theoretical study of neutral clusters of β-alanine molecules in the gas phase, (β-ala)nn ≤ 5. Classical molecular dynamics simulations carried out with different internal excitation energies provide information on the clusters formation and their thermal decomposition limits. We also present an assessment study performed with different families of density functionals using the dimer, (β-ala)2, as a benchmark system. The M06-2X functional provides the best agreement in geometries and relative energies in comparison with the reference values computed with the MP2 and CCSD(T) methods. The structure, stability, dissociation energies and vertical ionization potentials of the studied clusters have been investigated using this functional in combination with the 6-311++G(d,p) basis set. An exhaustive analysis of intermolecular interactions is also presented. These results provide new insights into the stability, interaction nature and formation mechanisms of clusters of amino acids in the gas phase.

  3. The interaction of postural and voluntary strategies for stability in Parkinson's disease

    PubMed Central

    Papegaaij, Selma; Cohen, Rajal G.; Teixeira, Luis A.; Smith, Beth A.; Horak, Fay B.

    2012-01-01

    This study assessed the effects of stability constraints of a voluntary task on postural responses to an external perturbation in subjects with Parkinson's disease (PD) and healthy elderly participants. Eleven PD subjects and twelve control subjects were perturbed with backward surface translations while standing and performing two versions of a voluntary task: holding a tray with a cylinder placed with the flat side down [low constraint (LC)] or with the rolling, round side down [high constraint (HC)]. Participants performed alternating blocks of LC and HC trials. PD participants accomplished the voluntary task as well as control subjects, showing slower tray velocity in the HC condition compared with the LC condition. However, the latency of postural responses was longer in the HC condition only for control subjects. Control subjects presented different patterns of hip-shoulder coordination as a function of task constraint, whereas PD subjects had a relatively invariant pattern. Initiating the experiment with the HC task led to 1) decreased postural stability in PD subjects only and 2) reduced peak hip flexion in control subjects only. These results suggest that PD impairs the capacity to adapt postural responses to constraints imposed by a voluntary task. PMID:22673326

  4. Stabilization of membranes upon interaction of amphipathic polymers with membrane proteins

    PubMed Central

    Picard, Martin; Duval-Terrié, Caroline; Dé, Emmanuelle; Champeil, Philippe

    2004-01-01

    Amphipathic polymers derived from polysaccharides, namely hydrophobically modified pullulans, were previously suggested to be useful as polymeric substitutes of ordinary surfactants for efficient and structure-conserving solubilization of membrane proteins, and one such polymer, 18C10, was optimized for solubilization of proteins derived from bacterial outer membranes (Duval-Terrié et al. 2003). We asked whether a similar ability to solubilize proteins could also be demonstrated in eukaryotic membranes, namely sarcoplasmic reticulum (SR) fragments, the major protein of which is SERCA1a, an integral membrane protein with Ca2+-dependent ATPase and Ca2+-pumping activity. We found that 18C10-mediated solubilization of these SR membranes did not occur. Simultaneously, however, we found that low amounts of this hydrophobically modified pullulan were very efficient at preventing long-term aggregation of these SR membranes. This presumably occurred because the negatively charged polymer coated the membranous vesicles with a hydrophilic corona (a property shared by many other amphipathic polymers), and thus minimized their flocculation. Reminiscent of the old Arabic gum, which stabilizes Indian ink by coating charcoal particles, the newly designed amphipathic polymers might therefore unintentionally prove useful also for stabilization of membrane suspensions. PMID:15459343

  5. Identifying key interactions stabilizing DOF zinc finger-DNA complexes using in silico approaches.

    PubMed

    Hamzeh-Mivehroud, Maryam; Moghaddas-Sani, Hakimeh; Rahbar-Shahrouziasl, Mahdieh; Dastmalchi, Siavoush

    2015-10-07

    DOF (DNA-binding with one finger) proteins, a family of DNA-binding transcription factors, are members of zinc fingers unique to plants. They are associated with different plant specific phenomena including germination, dormancy, light and defense responses. Until now, there is no report of experimentally solved structure for DOF proteins, making empirical investigation of DOF-DNA interaction more challenging. It has been shown that comparative modeling can be used to reliably predict the three-dimensional (3D) model of structurally unknown proteins whenever a suitable template is available. Furthermore, current molecular mechanics force fields allow prediction of interaction energies for macromolecular complexes. Therefore, the approaches considered in this work were to model the 3D structures of DOF zinc fingers (ZFs) from Arabidopsis thaliana complexed with DNA molecule, to calculate their binding energies, to identify key interactions established between ZFs and DNA, and to determine the impact of the different interactions on the binding energies. The results were used to predict the binding affinities for the novel designed ZFs and may be used in engineering DNA binding proteins.

  6. Zinc-Amyloid Interactions on a Millisecond Time-Scale Stabilize Non-Fibrillar Alzheimer Related Species

    SciTech Connect

    Noy,D.; Solomonov, I.; Sinkevich, O.; Arad, A.; Kjaer, K.; Sagi, I.

    2008-01-01

    The role of zinc, an essential element for normal brain function, in the pathology of Alzheimer's disease (AD) is poorly understood. On one hand, physiological and genetic evidence from transgenic mouse models supports its pathogenic role in promoting the deposition of the amyloid {beta}-protein (A{beta}) in senile plaques. On the other hand, levels of extracellular ('free') zinc in the brain, as inferred by the levels of zinc in cerebrospinal fluid, were found to be too low for inducing A{beta} aggregation. Remarkably, the release of transient high local concentrations of zinc during rapid synaptic events was reported. The role of such free zinc pulses in promoting A{beta} aggregation has never been established. Using a range of time-resolved structural and spectroscopic techniques, we found that zinc, when introduced in millisecond pulses of micromolar concentrations, immediately interacts with A{beta} 1-40 and promotes its aggregation. These interactions specifically stabilize non-fibrillar pathogenic related aggregate forms and prevent the formation of A{beta} fibrils (more benign species) presumably by interfering with the self-assembly process of A{beta}. These in vitro results strongly suggest a significant role for zinc pulses in A{beta} pathology. We further propose that by interfering with A{beta} self-assembly, which leads to insoluble, non-pathological fibrillar forms, zinc stabilizes transient, harmful amyloid forms. This report argues that zinc represents a class of molecular pathogens that effectively perturb the self-assembly of benign A{beta} fibrils, and stabilize harmful non-fibrillar forms.

  7. Separation of preferential interaction and excluded volume effects on DNA duplex and hairpin stability

    PubMed Central

    Knowles, D. B.; LaCroix, Andrew S.; Deines, Nickolas F.; Shkel, Irina; Record, M. Thomas

    2011-01-01

    Small solutes affect protein and nucleic acid processes because of favorable or unfavorable chemical interactions of the solute with the biopolymer surface exposed or buried in the process. Large solutes also exclude volume and affect processes where biopolymer molecularity and/or shape changes. Here, we develop an analysis to separate and interpret or predict excluded volume and chemical effects of a flexible coil polymer on a process. We report a study of the concentration-dependent effects of the full series from monomeric to polymeric PEG on intramolecular hairpin and intermolecular duplex formation by 12-nucleotide DNA strands. We find that chemical effects of PEG on these processes increase in proportion to the product of the amount of DNA surface exposed on melting and the amount of PEG surface that is accessible to this DNA, and these effects are completely described by two interaction terms that quantify the interactions between this DNA surface and PEG end and interior groups. We find that excluded volume effects, once separated from these chemical effects, are quantitatively described by the analytical theory of Hermans, which predicts the excluded volume between a flexible polymer and a rigid molecule. From this analysis, we show that at constant concentration of PEG monomer, increasing PEG size increases the excluded volume effect but decreases the chemical interaction effect, because in a large PEG coil a smaller fraction of the monomers are accessible to the DNA. Volume exclusion by PEG has a much larger effect on intermolecular duplex formation than on intramolecular hairpin formation. PMID:21742980

  8. Interaction of metal ions with caffeine and theophylline: stability and structural features.

    PubMed

    Nafisi, Shohreh; Sadjadi, Abolfazl Seyed; Zadeh, Sakine Shokrollah; Damerchelli, Maryam

    2003-10-01

    The interactions of caffeine and theophylline with divalent cadmium, mercury, strontium and barium ions were studied in aqueous solution and physiological pH. Fourier transform infrared spectroscopy (FTIR) and absorption spectra were used to determine the cation binding mode and association constants. Spectroscopic results showed that Cd(2+), Hg(2+), Sr(2+) and Ba(2+) bind strongly to caffeine and theophylline. Direct and indirect (through metal hydration shell) interactions were observed for caffeine and theophylline with Cd(2+), Hg(2+), Sr(2+) and Ba(2+) through O6 and N9 (caffeine) and O6, N9 and N7 atoms (theophylline). The overall binding constants are:k(Cd-caffeine) = 1.24 x 10(5) M(-1), k(Hg-caffeine) = 1.74 x 10(5) M(-1), k(Sr- caffeine) = 3.3 x 10(4) M(-1), k(Ba-caffeine) = 1.8 x 10(4) M(-1), k(Cd-theophylline) = 5.75 x 10(5) M(-1), k(Hg-theophylline) = 2.14 x 10(5) M(-1), k(Sr-theophylline) = 4.6 x 10(4) M(-1), k(Ba-theophylline) = 3 x 10(4) M(-1). These k values are evidence for weak and strong cation interactions in these metal complexes.

  9. Carbonyl-carbonyl interactions stabilize the partially allowed Ramachandran conformations of asparagine and aspartic acid.

    PubMed

    Deane, C M; Allen, F H; Taylor, R; Blundell, T L

    1999-12-01

    Asparagine and aspartate are known to adopt conformations in the left-handed alpha-helical region and other partially allowed regions of the Ramachandran plot more readily than any other non-glycyl amino acids. The reason for this preference has not been established. An examination of the local environments of asparagine and aspartic acid in protein structures with a resolution better than 1.5 A revealed that their side-chain carbonyls are frequently within 4 A of their own backbone carbonyl or the backbone carbonyl of the previous residue. Calculations using protein structures with a resolution better than 1.8 A reveal that this close contact occurs in more than 80% of cases. This carbonyl-carbonyl interaction offers an energetic sabilization for the partially allowed conformations of asparagine and aspartic acid with respect to all other non-glycyl amino acids. The non-covalent attractive interactions between the dipoles of two carbonyls has recently been calculated to have an energy comparable to that of a hydrogen bond. The preponderance of asparagine in the left-handed alpha-helical region, and in general of aspartic acid and asparagine in the partially allowed regions of the Ramachandran plot, may be a consequence of this carbonyl-carbonyl stacking interaction.

  10. Molecular recognition at the dimer interface of a class mu glutathione transferase: role of a hydrophobic interaction motif in dimer stability and protein function.

    PubMed

    Hornby, Judith A T; Codreanu, Simona G; Armstrong, Richard N; Dirr, Heini W

    2002-12-03

    Cytosolic glutathione (GSH) transferases (GSTs) exist as stable homo- and heterodimers. Interactions at the subunit interface serve an important role in stabilizing the subunit tertiary structures of all GSH transferases. In addition, the dimer is required to maintain functional conformations at the active site on each subunit and the nonsubstrate ligand binding site at the dimer interface [Dirr, H. W. (2001) Chem.-Biol. Interact. 133, 19-23]. In this study, we report on the contribution of a specific intersubunit hydrophobic motif in rGSTM1-1 to dimer stability and protein function. The motif consists of the side chain of F56 from one subunit intercalated between helices 4 and 5 of the second subunit. Replacement of F56 with the hydrophilic side chains of serine, arginine, and glutamate results in a change in the structure of the active site, a marked diminution in catalytic efficiency, and alterations in the ability to bind nonsubstrate ligands. The mutations also affect the ability of the enzyme to bind GSH and the substrate analogue glutathione sulfonate. The functionality of rGSTM1-1 was disrupted to the greatest extent for the F56E mutant. Though mutations at this position do not alter the three-state equilibrium folding process for rGSTM1-1 (i.e., N(2) <--> 2I <--> 2U), destabilizing mutations at position 56 shift the equilibrium between the folded dimer (N(2)) and the monomeric intermediate (I) toward the latter conformational state. The transition to the unfolded state (U) is not significantly affected. The folded monomeric intermediate is also observed by electrospray ionization mass spectrometry. The amount of the intermediate is dependent on protein concentration and the residue at position 56. Mutations at position 56 have little impact on the secondary structure and stability of the monomeric folding intermediate. The dimerization process is proposed to induce a conformational change in the loop containing F56, resulting in improved stability and

  11. Metallodendrimers in three oxidation states with electronically interacting metals and stabilization of size-selected gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Wang, Yanlan; Salmon, Lionel; Ruiz, Jaime; Astruc, Didier

    2014-04-01

    Metallodendrimers containing redox-robust centres may have applications in molecular redox recognition, sensing, biosensing and catalysis. So far, however, no metallodendrimer is known in several oxidation states. Here we report metallodendrimers with two electronically communicating iron centres that are stable and isolated in both the FeII and FeIII oxidation states, and in addition as class-II mixed-valent FeIIFeIII complexes. These dendrons are branched to arene-centred dendrimer cores either by Sonogashira coupling or ‘click’ reactions. The latter reaction involves the introduction of intradendritic 1,2,3-triazolyl ligands, which allows investigation of the selective role of these ligands in intradendritic AuIII coordination and Au0 nanoparticle stabilization. As a result, and using the various metallodendrimers with different oxidation states, small Au0 nanoparticles are intradendritically stabilized by the triazole ligands, whereas with the related non-‘click’ dendrimers large Au0 nanoparticles are formed outside the dendrimers and stabilized by a group of dendrimers.

  12. Effect of the interaction between dye and acetic acid on the decomposition of Basic Green 4 with additive by ozone.

    PubMed

    Pérez, Arizbeth A; Poznyak, Tatiana I; Chairez, Jorge I

    2014-01-01

    This research investigated the ozonation of Basic Green 4 (BG4) under the presence of acetic acid (AA). This acid is used as a textile additive for many industrial dyes derived from triphenylmethane. Determining the effect of this additive on discoloration, degradation dynamics, and final by-product distribution is the main objective of this study. The reaction system was the ozonation of a dye solution in co-solvents. This solution (dye and AA) was considered a simplified version of real BG4 dyeing wastewaters supplied with additives. The dye concentration was set to 50, 150, and 250 mg/L without pH adjustment (pH = 3). This low value was forced by the AA. Ozonation reaction with dye was mainly done by a direct molecular mechanism. The discoloration dynamics of BG4 without and with the additive were determined by ultraviolet and visible wavelength spectroscopy. The dye decomposition and the intermediate and final product formation-decomposition dynamics were followed by high-performance liquid chromatography. The effects of AA in the ozonation results were significant in the following ways: 1) a possible complex, formed between AA and the dye, changed ozone consumption; 2) the presence of additive decelerated the dye discoloration and decomposition; and 3) the number of by-products was dissimilar in both systems, with and without the additive the ozonation. The accumulation of organic acids with low molecular weight was determined in both systems, with and without the additive. Only one by-product was obtained in ozonation when AA participated in the reactor. A possible reaction mechanism is proposed for the system dye-AA-ozone.

  13. Post-Hartree-Fock studies of the He/Mg(0001) interaction: Anti-corrugation, screening, and pairwise additivity

    NASA Astrophysics Data System (ADS)

    de Lara-Castells, María Pilar; Fernández-Perea, Ricardo; Madzharova, Fani; Voloshina, Elena

    2016-06-01

    The adsorption of noble gases on metallic surfaces represents a paradigmatic case of van-der-Waals (vdW) interaction due to the role of screening effects on the corrugation of the interaction potential [J. L. F. Da Silva et al., Phys. Rev. Lett. 90, 066104 (2003)]. The extremely small adsorption energy of He atoms on the Mg(0001) surface (below 3 meV) and the delocalized nature and mobility of the surface electrons make the He/Mg(0001) system particularly challenging, even for state-of-the-art vdW-corrected density functional-based (vdW-DFT) approaches [M. P. de Lara-Castells et al., J. Chem. Phys. 143, 194701 (2015)]. In this work, we meet this challenge by applying two different procedures. First, the dispersion-corrected second-order Möller-Plesset perturbation theory (MP2C) approach is adopted, using bare metal clusters of increasing size. Second, the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)] is applied at coupled cluster singles and doubles and perturbative triples level, using embedded cluster models of the metal surface. Both approaches provide clear evidences of the anti-corrugation of the interaction potential: the He atom prefers on-top sites, instead of the expected hollow sites. This is interpreted as a signature of the screening of the He atom by the metal for the on-top configuration. The strong screening in the metal is clearly reflected in the relative contribution of successively deeper surface layers to the main dispersion contribution. Aimed to assist future dynamical simulations, a pairwise potential model for the He/surface interaction as a sum of effective He-Mg pair potentials is also presented, as an improvement of the approximation using isolated He-Mg pairs.

  14. Fish meal replacement by plant protein substitution and guar gum addition in trout feed. Part II: Effects on faeces stability and rheology.

    PubMed

    Brinker, Alexander; Friedrich, Christian

    2012-01-01

    In the explosively growing aquaculture industry, the challenge of sustainability includes a requirement to produce more fish than are consumed by stock. A promising avenue of research is the substitution of the fish meal in feeds with plant protein. However, there are inherent risks in the development of such feeds, and serious consideration should be given not only to nutritional content, but also to the mechanical quality of resulting faecal wastes. The present study uses a plate on plate rheometer running in different flow modes (creep, oscillation) to assess the rheological properties of wastes resulting from different diets.All faeces were shown to be thixotropic in nature, independent of diet composition. Details of dietary composition influence the consistency and the characteristic stresses at which faecal structure changes from a viscoelastic solid into a viscoelastic liquid. Furthermore, in linking active food components with mechanical properties of chyme faeces, rheological studies may be used to understand and counteract some problematic properties. Substituting 100% of fish meal with plant proteins leads to faeces that rapidly disintegrate into very fine solids which threaten the viability of aquacultural operations. Adding just 0.3% of the rapidly hydrating non-starch polysaccharide, guar gum (GG), significantly increased the viscosity and elastic modulus of the faeces. These mechanical improvements increase the size of the resulting particles and the effectiveness with which they can be removed, thereby leading to optimized water quality. GG addition was sufficiently effective to counter the stability and particle size effects of a 50% substitution of fish meal, but could not mitigate those of a 100% substitution, wherein dissolution effects of an unknown emulsifier are suspected.

  15. Environmental Influences on Pigeonpea-Fusarium udum Interactions and Stability of Genotypes to Fusarium Wilt

    PubMed Central

    Sharma, Mamta; Ghosh, Raju; Telangre, Rameshwar; Rathore, Abhishek; Saifulla, Muhammad; Mahalinga, Dayananda M.; Saxena, Deep R.; Jain, Yogendra K.

    2016-01-01

    Fusarium wilt (Fusarium udum Butler) is an important biotic constraint to pigeonpea (Cajanus cajan L.) production worldwide. Breeding for fusarium wilt resistance continues to be an integral part of genetic improvement of pigeonpea. Therefore, the study was aimed at identifying and validating resistant genotypes to fusarium wilt and determining the magnitude of genotype × environment (G × E) interactions through multi-environment and multi-year screening. A total of 976 genotypes including germplasm and breeding lines were screened against wilt using wilt sick plot at Patancheru, India. Ninety two genotypes resistant to wilt were tested for a further two years using wilt sick plot at Patancheru. A Pigeonpea Wilt Nursery (PWN) comprising of 29 genotypes was then established. PWN was evaluated at nine locations representing different agro-climatic zones of India for wilt resistance during two crop seasons 2007/08 and 2008/09. Genotypes (G), environment (E), and G × E interactions were examined by biplot which partitioned the main effect into G, E, and G × E interactions with significant levels (p ≤ 0.001) being obtained for wilt incidence. The genotype contributed 36.51% of resistance variation followed by the environment (29.32%). A GGE biplot integrated with a boxplot and multiple comparison tests enabled us to identify seven stable genotypes (ICPL 20109, ICPL 20096, ICPL 20115, ICPL 20116, ICPL 20102, ICPL 20106, and ICPL 20094) based on their performance across diverse environments. These genotypes have broad based resistance and can be exploited in pigeonpea breeding programs. PMID:27014287

  16. Environmental Influences on Pigeonpea-Fusarium udum Interactions and Stability of Genotypes to Fusarium Wilt.

    PubMed

    Sharma, Mamta; Ghosh, Raju; Telangre, Rameshwar; Rathore, Abhishek; Saifulla, Muhammad; Mahalinga, Dayananda M; Saxena, Deep R; Jain, Yogendra K

    2016-01-01

    Fusarium wilt (Fusarium udum Butler) is an important biotic constraint to pigeonpea (Cajanus cajan L.) production worldwide. Breeding for fusarium wilt resistance continues to be an integral part of genetic improvement of pigeonpea. Therefore, the study was aimed at identifying and validating resistant genotypes to fusarium wilt and determining the magnitude of genotype × environment (G × E) interactions through multi-environment and multi-year screening. A total of 976 genotypes including germplasm and breeding lines were screened against wilt using wilt sick plot at Patancheru, India. Ninety two genotypes resistant to wilt were tested for a further two years using wilt sick plot at Patancheru. A Pigeonpea Wilt Nursery (PWN) comprising of 29 genotypes was then established. PWN was evaluated at nine locations representing different agro-climatic zones of India for wilt resistance during two crop seasons 2007/08 and 2008/09. Genotypes (G), environment (E), and G × E interactions were examined by biplot which partitioned the main effect into G, E, and G × E interactions with significant levels (p ≤ 0.001) being obtained for wilt incidence. The genotype contributed 36.51% of resistance variation followed by the environment (29.32%). A GGE biplot integrated with a boxplot and multiple comparison tests enabled us to identify seven stable genotypes (ICPL 20109, ICPL 20096, ICPL 20115, ICPL 20116, ICPL 20102, ICPL 20106, and ICPL 20094) based on their performance across diverse environments. These genotypes have broad based resistance and can be exploited in pigeonpea breeding programs.

  17. Craton stability and continental lithosphere dynamics during plume-plate interaction

    NASA Astrophysics Data System (ADS)

    Wang, H.; Van Hunen, J.; Pearson, D.

    2013-12-01

    Survival of thick cratonic roots in a vigorously convecting mantle system for billions of years has long been studied by the geodynamical community. A high cratonic root strength is generally considered to be the most important factor. We first perform and discuss new numerical models to investigate craton stability in both Newtonian and non-Newtonian rheology in the stagnant lid regime. The results show that only a modest compositional rheological factor of Δη=10 with non-Newtonian rheology is required for the survival of cratonic roots in a stagnant lid regime. A larger rheological factor (100 or more) is needed to maintain similar craton longevity in a Newtonian rheology environment. Furthermore, chemical buoyancy plays an important role on craton stability and its evolution, but could only work with suitable compositional rheology. During their long lifespan, cratons experienced a suite of dynamic, tectonothermal events, such as nearby subduction and mantle plume activity. Cratonic nuclei are embedded in shorter-lived, more vulnerable continental areas of different thickness, composition and rheology, which would influence the lithosphere dynamic when tectonothermal events happen nearby. South Africa provides a very good example to investigate such dynamic processes as it hosts several cratons and there are many episodic thermal events since the Mesozoic as indicated by a spectrum of magmatic activity. We numerically investigate such an integrated system using the topographic evolution of cratons and surrounding lithosphere as a diagnostic observable. The post-70Ma thinning of pericratonic lithosphere by ~50km around Kaapvaal craton (Mather et al., 2011) is also investigated through our numerical models. The results show that the pericratonic lithosphere cools and grows faster than cratons do, but is also more likely to be effected by episodic thermal events. This leads to surface topography change that is significantly larger around the craton than within

  18. Heparin stability by determining unsubstituted amino groups using hydrophilic interaction chromatography mass spectrometry.

    PubMed

    Fu, Li; Li, Lingyun; Cai, Chao; Li, Guoyun; Zhang, Fuming; Linhardt, Robert J

    2014-09-15

    The thermal instability of the anticoagulant heparin is associated, in part, with the solvolytic loss of N-sulfo groups. This study describes a new method to assess the increased content of unsubstituted amino groups present in thermally stressed and autoclave-sterilized heparin formulations. N-Acetylation of heparin samples with acetic anhydride-d6 is followed by exhaustive heparinase treatment and disaccharide analysis by hydrophilic interaction chromatography mass spectrometry (HILIC-MS). The introduction of a stable isotopic label provides a sensitive probe for the detection and localization of the lost N-sulfo groups, potentially providing valuable insights into the degradation mechanism and the reasons for anticoagulant potency loss.

  19. Chiral magnetization textures stabilized by the Dzyaloshinskii-Moriya interaction during spin-orbit torque switching

    SciTech Connect

    Perez, N. Martinez, E.; Torres, L.

    2014-03-03

    We study the effect of the Dzyaloshinskii-Moriya interaction (DMI) on current-induced magnetic switching of a perpendicularly magnetized heavy-metal/ferromagnet/oxide trilayer both experimentally and through micromagnetic simulations. We report the generation of stable helical magnetization stripes for a sufficiently large DMI strength in the switching region, giving rise to intermediate states in the magnetization and confirming the essential role of the DMI on switching processes. We compare the simulation and experimental results to a macrospin model, showing the need for a micromagnetic approach. The influence of the temperature on the switching is also discussed.

  20. Chiral magnetization textures stabilized by the Dzyaloshinskii-Moriya interaction during spin-orbit torque switching

    NASA Astrophysics Data System (ADS)

    Perez, N.; Martinez, E.; Torres, L.; Woo, S.-H.; Emori, S.; Beach, G. S. D.

    2014-03-01

    We study the effect of the Dzyaloshinskii-Moriya interaction (DMI) on current-induced magnetic switching of a perpendicularly magnetized heavy-metal/ferromagnet/oxide trilayer both experimentally and through micromagnetic simulations. We report the generation of stable helical magnetization stripes for a sufficiently large DMI strength in the switching region, giving rise to intermediate states in the magnetization and confirming the essential role of the DMI on switching processes. We compare the simulation and experimental results to a macrospin model, showing the need for a micromagnetic approach. The influence of the temperature on the switching is also discussed.

  1. Lysozyme-lysozyme self-interactions as assessed by the osmotic second virial coefficient: impact for physical protein stabilization.

    PubMed

    Le Brun, Virginie; Friess, Wolfgang; Schultz-Fademrecht, Torsten; Muehlau, Silke; Garidel, Patrick

    2009-09-01

    The purpose of the presented study is to understand the physicochemical properties of proteins in aqueous solutions in order to identify solution conditions with reduced attractive protein-protein interactions, to avoid the formation of protein aggregates and to increase protein solubility. This is assessed by measuring the osmotic second virial coefficient (B(22)), a parameter of solution non-ideality, which is obtained using self-interaction chromatography. The model protein is lysozyme. The influence of various solution conditions on B(22) was investigated: protonation degree, ionic strength, pharmaceutical relevant excipients and combinations thereof. Under acidic solution conditions B(22) is positive, favoring protein repulsion. A similar trend is observed for the variation of the NaCl concentration, showing that with increasing the ionic strength protein attraction is more likely. B(22) decreases and becomes negative. Thus, solution conditions are obtained favoring attractive protein-protein interactions. The B(22) parameter also reflects, in general, the influence of the salts of the Hofmeister series with regard to their salting-in/salting-out effect. It is also shown that B(22) correlates with protein solubility as well as physical protein stability.

  2. Interactions of cubilin with megalin and the product of the amnionless gene (AMN): effect on its stability.

    PubMed

    Ahuja, Rajiv; Yammani, Raghunatha; Bauer, Joseph A; Kalra, Seema; Seetharam, Shakuntla; Seetharam, Bellur

    2008-03-01

    Cubilin, a 456 kDa multipurpose receptor lacking in both transmembrane and cytoplasmic domains is expressed in the apical BBMs (brush border membranes) of polarized epithelia. Cubilin interacts with two transmembrane proteins, AMN, a 45-50 kDa protein product of the amnionless gene, and megalin, a 600 kDa giant endocytic receptor. In vitro, three fragments of cubilin, the 113-residue N-terminus and CUB domains 12-17 and 22-27, demonstrated Ca2+-dependent binding to megalin. Immunoprecipitation and immunoblotting studies using detergent extracts of rat kidney BBMs revealed that cubilin interacts with both megalin and AMN. Ligand (intrinsic factor-cobalamin)-affinity chromatography showed that in renal BBMs, functional cubilin exists as a complex with both AMN and megalin. Cubilin and AMN levels were reduced by 80% and 55-60% respectively in total membranes and BBMs obtained from kidney of megalin antibody-producing rabbits. Immunohistochemical analysis and turnover studies for cubilin in megalin or AMN gene-silenced opossum kidney cells showed a significant reduction (85-90%) in cubilin staining and a 2-fold decrease in its half-life. Taken together, these results indicate that three distinct regions of cubilin bind to megalin and its interactions with both megalin and AMN are essential for its intracellular stability.

  3. EPAC1 activation by cAMP stabilizes CFTR at the membrane by promoting its interaction with NHERF1.

    PubMed

    Lobo, Miguel J; Amaral, Margarida D; Zaccolo, Manuela; Farinha, Carlos M

    2016-07-01

    Cyclic AMP (cAMP) activates protein kinase A (PKA) but also the guanine nucleotide exchange factor 'exchange protein directly activated by cAMP' (EPAC1; also known as RAPGEF3). Although phosphorylation by PKA is known to regulate CFTR channel gating - the protein defective in cystic fibrosis - the contribution of EPAC1 to CFTR regulation remains largely undefined. Here, we demonstrate that in human airway epithelial cells, cAMP signaling through EPAC1 promotes CFTR stabilization at the plasma membrane by attenuating its endocytosis, independently of PKA activation. EPAC1 and CFTR colocalize and interact through protein adaptor NHERF1 (also known as SLC9A3R1). This interaction is promoted by EPAC1 activation, triggering its translocation to the plasma membrane and binding to NHERF1. Our findings identify a new CFTR-interacting protein and demonstrate that cAMP activates CFTR through two different but complementary pathways - the well-known PKA-dependent channel gating pathway and a new mechanism regulating endocytosis that involves EPAC1. The latter might constitute a novel therapeutic target for treatment of cystic fibrosis.

  4. Influence of protein-pectin electrostatic interaction on the foam stability mechanism.

    PubMed

    Sadahira, Mitie S; Lopes, Fernanda C Rezende; Rodrigues, Maria I; Netto, Flavia M

    2014-03-15

    This study aimed at evaluating the effect of three independent variables: biopolymer concentration (egg white proteins and pectin) (2.0-4.0%, w/w); protein:pectin ratio (15:1-55:1); and temperature (70-80 °C), at pH 3.0, using a central composite design on the foaming properties (overrun, drainage and bubble growth rate). Foams produced with protein:pectin ratio 15:1 showed the lowest bubble growth rate and the greatest drainage, whereas protein:pectin ratio 55:1 presented the lowest drainage. Complexes obtained with protein:pectin ratio 15:1 were close to electroneutrality and showed larger size (95.91 ± 8.19 μm) than those obtained with protein:pectin ratio 55:1 (45.92 ± 3.47 μm) not electrically neutral. Larger particles seemed to build an interfacial viscoelastic network at the air-water interface with reduced gas permeability, leading to greater stability concerning the disproportionation. Soluble complexes of smaller sizes increased viscosity leading to a low drainage of liquid and inhibiting the bubbles coalescence.

  5. CCM2-CCM3 interaction stabilizes their protein expression and permits endothelial network formation

    SciTech Connect

    Draheim, Kyle M.; Li, Xiaofeng; Zhang, Rong; Fisher, Oriana S.; Villari, Giulia; Boggon, Titus J.; Calderwood, David A.

    2015-04-21

    Mutations in the essential adaptor proteins CCM2 or CCM3 lead to cerebral cavernous malformations (CCM), vascular lesions that most frequently occur in the brain and are strongly associated with hemorrhagic stroke, seizures, and other neurological disorders. CCM2 binds CCM3, but the molecular basis of this interaction, and its functional significance, have not been elucidated. Here, we used x-ray crystallography and structure-guided mutagenesis to show that an α-helical LD-like motif within CCM2 binds the highly conserved “HP1” pocket of the CCM3 focal adhesion targeting (FAT) homology domain. By knocking down CCM2 or CCM3 and rescuing with binding-deficient mutants, we establish that CCM2–CCM3 interactions protect CCM2 and CCM3 proteins from proteasomal degradation and show that both CCM2 and CCM3 are required for normal endothelial cell network formation. However, CCM3 expression in the absence of CCM2 is sufficient to support normal cell growth, revealing complex-independent roles for CCM3.

  6. CCM2–CCM3 interaction stabilizes their protein expression and permits endothelial network formation

    PubMed Central

    Draheim, Kyle M.; Li, Xiaofeng; Zhang, Rong; Fisher, Oriana S.; Villari, Giulia

    2015-01-01

    Mutations in the essential adaptor proteins CCM2 or CCM3 lead to cerebral cavernous malformations (CCM), vascular lesions that most frequently occur in the brain and are strongly associated with hemorrhagic stroke, seizures, and other neurological disorders. CCM2 binds CCM3, but the molecular basis of this interaction, and its functional significance, have not been elucidated. Here, we used x-ray crystallography and structure-guided mutagenesis to show that an α-helical LD-like motif within CCM2 binds the highly conserved “HP1” pocket of the CCM3 focal adhesion targeting (FAT) homology domain. By knocking down CCM2 or CCM3 and rescuing with binding-deficient mutants, we establish that CCM2–CCM3 interactions protect CCM2 and CCM3 proteins from proteasomal degradation and show that both CCM2 and CCM3 are required for normal endothelial cell network formation. However, CCM3 expression in the absence of CCM2 is sufficient to support normal cell growth, revealing complex-independent roles for CCM3. PMID:25825518

  7. Non-covalent interaction between dietary stilbenoids and human serum albumin: Structure-affinity relationship, and its influence on the stability, free radical scavenging activity and cell uptake of stilbenoids.

    PubMed

    Cao, Hui; Jia, Xueping; Shi, Jian; Xiao, Jianbo; Chen, Xiaoqing

    2016-07-01

    Dietary stilbenoids are associated with many benefits for human health, which depend on their bioavailability and bioaccessibility. The stilbenoid-human serum albumin (HSA) interactions are investigated to explore the structure-affinity relationship and influence on the stability, free radical scavenging activity and cell uptake of stilbenoids. The structure-affinity relationship of the stilbenoids-HSA interaction was found as: (1) the methoxylation enhanced the affinity, (2) an additional hydroxyl group increases the affinity and (3) the glycosylation significantly weakened the affinity. HSA obviously masked the free radical scavenging potential of stilbenoids. The stabilities of stilbenoids in different medium were determined as: HSA solution>human plasma>Dulbecco's modified Eagle's medium. It appears that the milk enhanced the cell uptake of stilbenoids with multi-hydroxyl groups and weakened the cell uptake of stilbenoids with methoxyl group on EA.hy 926 endothelial cells. The stilbenoids are hardly absorbed by human umbilical vein endothelial cells in the presence of milk.

  8. Optimization of Cyanine Dye Stability and Analysis of FRET Interaction on DNA Microarrays

    PubMed Central

    von der Haar, Marcel; Heuer, Christopher; Pähler, Martin; von der Haar, Kathrin; Lindner, Patrick; Scheper, Thomas; Stahl, Frank

    2016-01-01

    The application of DNA microarrays for high throughput analysis of genetic regulation is often limited by the fluorophores used as markers. The implementation of multi-scan techniques is limited by the fluorophores’ susceptibility to photobleaching when exposed to the scanner laser light. This paper presents combined mechanical and chemical strategies which enhance the photostability of cyanine 3 and cyanine 5 as part of solid state DNA microarrays. These strategies are based on scanning the microarrays while the hybridized DNA is still in an aqueous solution with the presence of a reductive/oxidative system (ROXS). Furthermore, the experimental setup allows for the analysis and eventual normalization of Förster-resonance-energy-transfer (FRET) interaction of cyanine-3/cyanine-5 dye combinations on the microarray. These findings constitute a step towards standardization of microarray experiments and analysis and may help to increase the comparability of microarray experiment results between labs. PMID:27916881

  9. SENP1-modulated sumoylation regulates retinoblastoma protein (RB) and Lamin A/C interaction and stabilization.

    PubMed

    Sharma, P; Kuehn, M R

    2016-12-15

    The retinoblastoma tumor suppressor protein (RB) plays a critical role in cell proliferation and differentiation and its inactivation is a frequent underlying factor in tumorigenesis. While the regulation of RB function by phosphorylation is well studied, proteasome-mediated RB protein degradation is emerging as an important regulatory mechanism. Although our understanding of RB turnover is currently limited, there is evidence that the nuclear lamina filament protein Lamin A/C protects RB from proteasomal degradation. Here we show that SUMO1 conjugation of RB and Lamin A/C is modulated by the SUMO protease SENP1 and that sumoylation of both proteins is required for their interaction. Importantly, this SUMO1-dependent complex protects both RB and Lamin A/C from proteasomal turnover.

  10. The impact of human-environment interactions on the stability of forest-grassland mosaic ecosystems.

    PubMed

    Innes, Clinton; Anand, Madhur; Bauch, Chris T

    2013-01-01

    Forest-grassland mosaic ecosystems can exhibit alternative stables states, whereby under the same environmental conditions, the ecosystem could equally well reside either in one state or another, depending on the initial conditions. We develop a mathematical model that couples a simplified forest-grassland mosaic model to a dynamic model of opinions about conservation priorities in a population, based on perceptions of ecosystem rarity. Weak human influence increases the region of parameter space where alternative stable states are possible. However, strong human influence precludes bistability, such that forest and grassland either co-exist at a single, stable equilibrium, or their relative abundance oscillates. Moreover, a perturbation can shift the system from a stable state to an oscillatory state. We conclude that human-environment interactions can qualitatively alter the composition of forest-grassland mosaic ecosystems. The human role in such systems should be viewed as dynamic, responsive element rather than as a fixed, unchanging entity.

  11. HDAC1/2-Dependent P0 Expression Maintains Paranodal and Nodal Integrity Independently of Myelin Stability through Interactions with Neurofascins

    PubMed Central

    Brügger, Valérie; Engler, Stefanie; Pereira, Jorge A.; Ruff, Sophie; Horn, Michael; Welzl, Hans; Münger, Emmanuelle; Vaquié, Adrien; Sidiropoulos, Páris N. M.; Egger, Boris; Yotovski, Peter; Filgueira, Luis; Somandin, Christian; Lühmann, Tessa C.; D’Antonio, Maurizio; Yamaguchi, Teppei; Matthias, Patrick; Suter, Ueli; Jacob, Claire

    2015-01-01

    The pathogenesis of peripheral neuropathies in adults is linked to maintenance mechanisms that are not well understood. Here, we elucidate a novel critical maintenance mechanism for Schwann cell (SC)–axon interaction. Using mouse genetics, ablation of the transcriptional regulators histone deacetylases 1 and 2 (HDAC1/2) in adult SCs severely affected paranodal and nodal integrity and led to demyelination/remyelination. Expression levels of the HDAC1/2 target gene myelin protein zero (P0) were reduced by half, accompanied by altered localization and stability of neurofascin (NFasc)155, NFasc186, and loss of Caspr and septate-like junctions. We identify P0 as a novel binding partner of NFasc155 and NFasc186, both in vivo and by in vitro adhesion assay. Furthermore, we demonstrate that HDAC1/2-dependent P0 expression is crucial for the maintenance of paranodal/nodal integrity and axonal function through interaction of P0 with neurofascins. In addition, we show that the latter mechanism is impaired by some P0 mutations that lead to late onset Charcot-Marie-Tooth disease. PMID:26406915

  12. Insights into protein -- DNA interactions, stability and allosteric communications: A computational study of MutS-DNA recognition complexes

    NASA Astrophysics Data System (ADS)

    Negureanu, Lacramioara; Salsbury, Freddie

    2012-02-01

    DNA mismatch repair proteins (MMR) maintain genetic stability by recognizing and repairing mismatched bases and insertion/deletion loops mistakenly incorporated during DNA replication, and initiate cellular response to certain types of DNA damage. The most abundant MMR mismatch-binding factor in eukaryotes, MutS, recognizes and initiates the repair of base-base mismatches and small insertion/deletions. We performed molecular dynamics simulations on mismatched and damaged MutS-DNA complexes. A comprehensive DNA binding site analysis of relevant conformations shows that MutS proteins recognize the mismatched and platinum cross-linked DNA substrates in significantly different modes. Distinctive conformational changes associated with MutS binding to mismatched and damaged DNA have been identified and they provide insight into the involvement of MMR proteins in DNA-repair and DNA-damage pathways. Stability and allosteric interactions at the heterodimer interface associated with the mismatch and damage recognition step allow for prediction of key residues in MMR cancer-causing mutations. A rigorous hydrogen bonding analysis for ADP molecules at the ATPase binding sites is also presented. A large number of known MMR cancer causing mutations among the residues were found.

  13. A hydrophilic interaction liquid chromatography-mass spectrometry (HILIC-MS) based metabolomics study on colour stability of ovine meat.

    PubMed

    Subbaraj, Arvind K; Kim, Yuan H Brad; Fraser, Karl; Farouk, Mustafa M

    2016-07-01

    Meat colour is one of the cues available to the consumer to gauge overall meat quality and wholesomeness. Colour stability of meat is determined by several factors both inherent to the animal and post-slaughter conditions, including ageing, storage/packaging and display times. A hydrophilic interaction liquid chromatography-mass spectrometry (HILIC-MS) based metabolomics study was undertaken to identify and compare polar metabolites between ovine meat samples that were exposed to different durations of ageing, storage conditions, and display times. Primary metabolites comprising amino acids, sugars, nucleotides, nucleosides, organic acids and their breakdown products were mainly identified as discriminating factors. For the first time, boron complexes of sugar and malic acid were also tentatively identified. As expected, most compounds identified were related to myoglobin chemistry, and compounds with antioxidant properties were found in higher levels in colour stable samples. Supplementary studies identifying semi-polar, non-polar and volatile compounds will provide a holistic understanding of the chemical basis of colour stability in ovine meat.

  14. Dynamic and Static Interactions between p120 Catenin and E-Cadherin Regulate the Stability of Cell-Cell Adhesion

    SciTech Connect

    Ishiyama, Noboru; Lee, Seung-Hye; Liu, Shuang; Li, Guang-Yao; Smith, Matthew J.; Reichardt, Louis F.; Ikura, Mitsuhiko

    2010-04-26

    The association of p120 catenin (p120) with the juxtamembrane domain (JMD) of the cadherin cytoplasmic tail is critical for the surface stability of cadherin-catenin cell-cell adhesion complexes. Here, we present the crystal structure of p120 isoform 4A in complex with the JMD core region (JMD{sub core}) of E-cadherin. The p120 armadillo repeat domain contains modular binding pockets that are complementary to electrostatic and hydrophobic properties of the JMD{sub core}. Single-residue mutations within the JMD{sub core}-binding site of p120 abolished its interaction with E- and N-cadherins in vitro and in cultured cells. These mutations of p120 enabled us to clearly differentiate between N-cadherin-dependent and -independent steps of neuronal dendritic spine morphogenesis crucial for synapse development. NMR studies revealed that p120 regulates the stability of cadherin-mediated cell-cell adhesion by associating with the majority of the JMD, including residues implicated in clathrin-mediated endocytosis and Hakai-dependent ubiquitination of E-cadherin, through its discrete dynamic and static binding sites.

  15. Amorphous stabilization and dissolution enhancement of amorphous ternary solid dispersions: combination of polymers showing drug-polymer interaction for synergistic effects.

    PubMed

    Prasad, Dev; Chauhan, Harsh; Atef, Eman

    2014-11-01

    The purpose of this study was to understand the combined effect of two polymers showing drug-polymer interactions on amorphous stabilization and dissolution enhancement of indomethacin (IND) in amorphous ternary solid dispersions. The mechanism responsible for the enhanced stability and dissolution of IND in amorphous ternary systems was studied by exploring the miscibility and intermolecular interactions between IND and polymers through thermal and spectroscopic analysis. Eudragit E100 and PVP K90 at low concentrations (2.5%-40%, w/w) were used to prepare amorphous binary and ternary solid dispersions by solvent evaporation. Stability results showed that amorphous ternary solid dispersions have better stability compared with amorphous binary solid dispersions. The dissolution of IND from the ternary dispersion was substantially higher than the binary dispersions as well as amorphous drug. Melting point depression of physical mixtures reveals that the drug was miscible in both the polymers; however, greater miscibility was observed in ternary physical mixtures. The IR analysis confirmed intermolecular interactions between IND and individual polymers. These interactions were found to be intact in ternary systems. These results suggest that the combination of two polymers showing drug-polymer interaction offers synergistic enhancement in amorphous stability and dissolution in ternary solid dispersions.

  16. In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity

    PubMed Central

    Pires, Douglas E. V.; Chen, Jing; Blundell, Tom L.; Ascher, David B.

    2016-01-01

    Despite interest in associating polymorphisms with clinical or experimental phenotypes, functional interpretation of mutation data has lagged behind generation of data from modern high-throughput techniques and the accurate prediction of the molecular impact of a mutation remains a non-trivial task. We present here an integrated knowledge-driven computational workflow designed to evaluate the effects of experimental and disease missense mutations on protein structure and interactions. We exemplify its application with analyses of saturation mutagenesis of DBR1 and Gal4 and show that the experimental phenotypes for over 80% of the mutations correlate well with predicted effects of mutations on protein stability and RNA binding affinity. We also show that analysis of mutations in VHL using our workflow provides valuable insights into the effects of mutations, and their links to the risk of developing renal carcinoma. Taken together the analyses of the three examples demonstrate that structural bioinformatics tools, when applied in a systematic, integrated way, can rapidly analyse a given system to provide a powerful approach for predicting structural and functional effects of thousands of mutations in order to reveal molecular mechanisms leading to a phenotype. Missense or non-synonymous mutations are nucleotide substitutions that alter the amino acid sequence of a protein. Their effects can range from modifying transcription, translation, processing and splicing, localization, changing stability of the protein, altering its dynamics or interactions with other proteins, nucleic acids and ligands, including small molecules and metal ions. The advent of high-throughput techniques including sequencing and saturation mutagenesis has provided large amounts of phenotypic data linked to mutations. However, one of the hurdles has been understanding and quantifying the effects of a particular mutation, and how they translate into a given phenotype. One approach to overcome

  17. HIF1α-Induced by Lysophosphatidic Acid Is Stabilized via Interaction with MIF and CSN5

    PubMed Central

    No, Yi Ran; Lee, Sei-Jung; Kumar, Ajay; Yun, C. Chris

    2015-01-01

    Macrophage migration inhibitory factor (MIF) is a cytokine that has broad effects on immune system and inflammatory response. A growing body of evidence implicates the role of MIF in tumor growth and metastasis. Lysophosphatidic acid (LPA), a bioactive lipid mediator, regulates colon cancer cell proliferation, invasion, and survival through LPA2 receptor. Loss of LPA2 results in decreased expression of MIF in a rodent model of colon cancer, but the mechanism of MIF regulation by LPA is yet to be determined. In this study, we show that LPA transcriptionally regulates MIF expression in colon cancer cells. MIF knockdown decreased LPA-mediated proliferation of HCT116 human adenocarcinoma cells without altering the basal proliferation rates. Conversely, extracellular recombinant MIF stimulated cell proliferation, suggesting that the effect of MIF may in part be mediated through activation of surface receptor. We have shown recently that LPA increases hypoxia-inducible factor 1α (HIF1α) expression. We found that MIF regulation by LPA was ablated by knockdown of HIF1α, indicating that MIF is a transcriptional target of HIF1α. Conversely, knockdown of MIF ablated an increase in HIF1α expression in LPA-treated cells, suggesting a reciprocal relationship between HIF1α and MIF. LPA stimulated co-immunoprecipitation of HIF1α and MIF, indicating that their association is necessary for stabilization of HIF1α. It has been shown previously that CSN9 signalosome subunit 5 (CSN5) interacts with HIF1α to stabilize HIF1α under aerobic conditions. We found that LPA did not alter expression of CSN5, but stimulated its interaction with HIF1α and MIF. Depletion of CSN5 mitigated the association between HIF1α and MIF, indicating that CSN5 acts as a physical link. We suggest that HIF1α, MIF, and CSN5 form a ternary complex whose formation is necessary to prevent degradation of HIF1α under aerobic conditions. PMID:26352431

  18. HIF1α-Induced by Lysophosphatidic Acid Is Stabilized via Interaction with MIF and CSN5.

    PubMed

    No, Yi Ran; Lee, Sei-Jung; Kumar, Ajay; Yun, C Chris

    2015-01-01

    Macrophage migration inhibitory factor (MIF) is a cytokine that has broad effects on immune system and inflammatory response. A growing body of evidence implicates the role of MIF in tumor growth and metastasis. Lysophosphatidic acid (LPA), a bioactive lipid mediator, regulates colon cancer cell proliferation, invasion, and survival through LPA2 receptor. Loss of LPA2 results in decreased expression of MIF in a rodent model of colon cancer, but the mechanism of MIF regulation by LPA is yet to be determined. In this study, we show that LPA transcriptionally regulates MIF expression in colon cancer cells. MIF knockdown decreased LPA-mediated proliferation of HCT116 human adenocarcinoma cells without altering the basal proliferation rates. Conversely, extracellular recombinant MIF stimulated cell proliferation, suggesting that the effect of MIF may in part be mediated through activation of surface receptor. We have shown recently that LPA increases hypoxia-inducible factor 1α (HIF1α) expression. We found that MIF regulation by LPA was ablated by knockdown of HIF1α, indicating that MIF is a transcriptional target of HIF1α. Conversely, knockdown of MIF ablated an increase in HIF1α expression in LPA-treated cells, suggesting a reciprocal relationship between HIF1α and MIF. LPA stimulated co-immunoprecipitation of HIF1α and MIF, indicating that their association is necessary for stabilization of HIF1α. It has been shown previously that CSN9 signalosome subunit 5 (CSN5) interacts with HIF1α to stabilize HIF1α under aerobic conditions. We found that LPA did not alter expression of CSN5, but stimulated its interaction with HIF1α and MIF. Depletion of CSN5 mitigated the association between HIF1α and MIF, indicating that CSN5 acts as a physical link. We suggest that HIF1α, MIF, and CSN5 form a ternary complex whose formation is necessary to prevent degradation of HIF1α under aerobic conditions.

  19. The role of DNA helicases and their interaction partners in genome stability and meiotic recombination in plants.

    PubMed

    Knoll, Alexander; Puchta, Holger

    2011-03-01

    DNA helicases are enzymes that are able to unwind DNA by the use of the energy-equivalent ATP. They play essential roles in DNA replication, DNA repair, and DNA recombination in all organisms. As homologous recombination occurs in somatic and meiotic cells, the same proteins may participate in both processes, albeit not necessarily with identical functions. DNA helicases involved in genome stability and meiotic recombination are the focus of this review. The role of these enzymes and their characterized interaction partners in plants will be summarized. Although most factors are conserved in eukaryotes, plant-specific features are becoming apparent. In the RecQ helicase family, Arabidopsis thaliana RECQ4A has been shown before to be the functional homologue of the well-researched baker's yeast Sgs1 and human BLM proteins. It was surprising to find that its interaction partners AtRMI1 and AtTOP3α are absolutely essential for meiotic recombination in plants, where they are central factors of a formerly underappreciated dissolution step of recombination intermediates. In the expanding group of anti-recombinases, future analysis of plant helicases is especially promising. While no FBH1 homologue is present, the Arabidopsis genome contains homologues of both SRS2 and RTEL1. Yeast and mammals, on the other hand. only possess homologues of either one or the other of these helicases. Plants also contain several other classes of helicases that are known from other organisms to be involved in the preservation of genome stability: FANCM is conserved with parts of the human Fanconi anaemia proteins, as are homologues of the Swi2/Snf2 family and of PIF1.

  20. In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity.

    PubMed

    Pires, Douglas E V; Chen, Jing; Blundell, Tom L; Ascher, David B

    2016-01-22

    Despite interest in associating polymorphisms with clinical or experimental phenotypes, functional interpretation of mutation data has lagged behind generation of data from modern high-throughput techniques and the accurate prediction of the molecular impact of a mutation remains a non-trivial task. We present here an integrated knowledge-driven computational workflow designed to evaluate the effects of experimental and disease missense mutations on protein structure and interactions. We exemplify its application with analyses of saturation mutagenesis of DBR1 and Gal4 and show that the experimental phenotypes for over 80% of the mutations correlate well with predicted effects of mutations on protein stability and RNA binding affinity. We also show that analysis of mutations in VHL using our workflow provides valuable insights into the effects of mutations, and their links to the risk of developing renal carcinoma. Taken together the analyses of the three examples demonstrate that structural bioinformatics tools, when applied in a systematic, integrated way, can rapidly analyse a given system to provide a powerful approach for predicting structural and functional effects of thousands of mutations in order to reveal molecular mechanisms leading to a phenotype. Missense or non-synonymous mutations are nucleotide substitutions that alter the amino acid sequence of a protein. Their effects can range from modifying transcription, translation, processing and splicing, localization, changing stability of the protein, altering its dynamics or interactions with other proteins, nucleic acids and ligands, including small molecules and metal ions. The advent of high-throughput techniques including sequencing and saturation mutagenesis has provided large amounts of phenotypic data linked to mutations. However, one of the hurdles has been understanding and quantifying the effects of a particular mutation, and how they translate into a given phenotype. One approach to overcome

  1. Non-additive interactions involving two distinct elements mediate sloppy-paired regulation by pair-rule transcription factors

    PubMed Central

    Prazak, Lisa; Fujioka, Miki; Gergen, J. Peter

    2010-01-01

    The relatively simple combinatorial rules responsible for establishing the initial metameric expression of sloppy-paired-1 (slp1) in the Drosophila blastoderm embryo make this system an attractive model for investigating the mechanism of regulation by pair rule transcription factors. This investigation of slp1 cis-regulatory architecture identifies two distinct elements, a proximal early stripe element (PESE) and a distal early stripe element (DESE) located from −3.1 kb to −2.5 kb and from −8.1 kb to −7.1 kb upstream of the slp1 promoter, respectively, that mediate this early regulation. The proximal element expresses only even-numbered stripes and mediates repression by Even-skipped (Eve) as well as by the combination of Runt and Fushi-tarazu (Ftz). A 272 basepair sub-element of PESE retains Eve-dependent repression, but is expressed throughout the even-numbered parasegments due to the loss of repression by Runt and Ftz. In contrast, the distal element expresses both odd and even-numbered stripes and also drives inappropriate expression in the anterior half of the odd-numbered parasegments due to an inability to respond to repression by Eve. Importantly, a composite reporter gene containing both early stripe elements recapitulates pair-rule gene-dependent regulation in a manner beyond what is expected from combining their individual patterns. These results indicate interactions involving distinct cis-elements contribute to the proper integration of pair-rule regulatory information. A model fully accounting for these results proposes that metameric slp1 expression is achieved through the Runt-dependent regulation of interactions between these two pair-rule response elements and the slp1 promoter. PMID:20435028

  2. Disturbance and productivity interactions mediate stability of forest composition and structure.

    PubMed

    O'Connor, Christopher D; Falk, Donald A; Lynch, Ann M; Swetnam, Thomas W; Wilcox, Craig P

    2017-04-01

    Fire is returning to many conifer-dominated forests where species composition and structure have been altered by fire exclusion. Ecological effects of these fires are influenced strongly by the degree of forest change during the fire-free period. Response of fire-adapted species assemblages to extended fire-free intervals is highly variable, even in communities with similar historical fire regimes. This variability in plant community response to fire exclusion is not well understood; however, ecological mechanisms such as individual species' adaptations to disturbance or competition and underlying site characteristics that facilitate or impede establishment and growth have been proposed as potential drivers of assemblage response. We used spatially explicit dendrochronological reconstruction of tree population dynamics and fire regimes to examine the influence of historical disturbance frequency (a proxy for adaptation to disturbance or competition), and potential site productivity (a proxy for underlying site characteristics) on the stability of forest composition and structure along a continuous ecological gradient of pine, dry mixed-conifer, mesic mixed-conifer, and spruce-fir forests following fire exclusion. While average structural density increased in all forests, species composition was relatively stable in the lowest productivity pine-dominated and highest productivity spruce-fir-dominated sites immediately following fire exclusion and for the next 100 years, suggesting site productivity as a primary control on species composition and structure in forests with very different historical fire regimes. Species composition was least stable on intermediate productivity sites dominated by mixed-conifer forests, shifting from primarily fire-adapted species to competition-adapted, fire-sensitive species within 20 years of fire exclusion. Rapid changes to species composition and stand densities have been interpreted by some as evidence of high-severity fire. We

  3. Hanford waste-form release and sediment interaction: A status report with rationale and recommendations for additional studies

    SciTech Connect

    Serne, R.J. ); Wood, M.I. )

    1990-05-01

    This report documents the currently available geochemical data base for release and retardation for actual Hanford Site materials (wastes and/or sediments). The report also recommends specific laboratory tests and presents the rationale for the recommendations. The purpose of this document is threefold: to summarize currently available information, to provide a strategy for generating additional data, and to provide recommendations on specific data collection methods and tests matrices. This report outlines a data collection approach that relies on feedback from performance analyses to ascertain when adequate data have been collected. The data collection scheme emphasizes laboratory testing based on empiricism. 196 refs., 4 figs., 36 tabs.

  4. Enolate Stabilization by Anion-π Interactions: Deuterium Exchange in Malonate Dilactones on π-Acidic Surfaces.

    PubMed

    Miros, François N; Zhao, Yingjie; Sargsyan, Gevorg; Pupier, Marion; Besnard, Céline; Beuchat, César; Mareda, Jiri; Sakai, Naomi; Matile, Stefan

    2016-02-18

    Of central importance in chemistry and biology, enolate chemistry is an attractive topic to elaborate on possible contributions of anion-π interactions to catalysis. To demonstrate the existence of such contributions, experimental evidence for the stabilization of not only anions but also anionic intermediates and transition states on π-acidic aromatic surfaces is decisive. To tackle this challenge for enolate chemistry with maximal precision and minimal uncertainty, malonate dilactones are covalently positioned on the π-acidic surface of naphthalenediimides (NDIs). Their presence is directly visible in the upfield shifts of the α-protons in the (1) H NMR spectra. The reactivity of these protons on π-acidic surfaces is measured by hydrogen-deuterium (H-D) exchange for 11 different examples, excluding controls. The velocity of H-D exchange increases with π acidity (NDI core substituents: SO2 R>SOR>H>OR>OR/NR2 >SR>NR2 ). The H-D exchange kinetics vary with the structure of the enolate (malonates>methylmalonates, dilactones>dithiolactones). Moreover, they depend on the distance to the π surface (bridge length: 11-13 atoms). Most importantly, H-D exchange depends strongly on the chirality of the π surface (chiral sulfoxides as core substituents; the crystal structure of the enantiopure (R,R,P)-macrocycle is reported). For maximal π acidity, transition-state stabilizations up to -18.8 kJ mol(-1) are obtained for H-D exchange. The Brønsted acidity of the enols increases strongly with π acidity of the aromatic surface, the lowest measured pKa =10.9 calculates to a ΔpKa =-5.5. Corresponding to the deprotonation of arginine residues in neutral water, considered as "impossible" in biology, the found enolate-π interactions are very important. The strong dependence of enolate stabilization on the unprecedented seven-component π-acidity gradient over almost 1 eV demonstrates quantitatively that such important anion-π activities can be expected only from

  5. Interactive effects of nitrogen addition, warming and invasion across organizational levels in an old-field plant community.

    PubMed

    Gornish, Elise S

    2014-10-08

    Response to global change is dependent on the level of biological organization (e.g. the ecologically relevant spatial scale) in which species are embedded. For example, individual responses can affect population-level responses, which, in turn, can affect community-level responses. Although relationships are known to exist among responses to global change across levels of biological organization, formal investigations of these relationships are still uncommon. I conducted an exploratory analysis to identify how nitrogen addition and warming by open top chambers might affect plants across spatial scales by estimating treatment effect size at the leaf level, the plant level and the community level. Moreover, I investigated if the presence of Pityopsis aspera, an experimentally introduced plant species, modified the relationship between spatial scale and effect size across treatments. I found that, overall, the spatial scale significantly contributes to differences in effect size, supporting previous work which suggests that mechanisms driving biotic response to global change are scale dependent. Interestingly, the relationship between spatial scale and effect size in both the absence and presence of experimental invasion is very similar for nitrogen addition and warming treatments. The presence of invasion, however, did not affect the relationship between spatial scale and effect size, suggesting that in this system, invasion may not exacerbate or attenuate climate change effects. This exercise highlights the value of moving beyond integration and scaling to the practice of directly testing for scale effects within single experiments.

  6. Multiple capsid-stabilizing interactions revealed in a high-resolution structure of an emerging picornavirus causing neonatal sepsis

    PubMed Central

    Shakeel, Shabih; Westerhuis, Brenda M.; Domanska, Ausra; Koning, Roman I.; Matadeen, Rishi; Koster, Abraham J.; Bakker, Arjen Q.; Beaumont, Tim; Wolthers, Katja C.; Butcher, Sarah J.

    2016-01-01

    The poorly studied picornavirus, human parechovirus 3 (HPeV3) causes neonatal sepsis with no therapies available. Our 4.3-Å resolution structure of HPeV3 on its own and at 15 Å resolution in complex with human monoclonal antibody Fabs demonstrates the expected picornavirus capsid structure with three distinct features. First, 25% of the HPeV3 RNA genome in 60 sites is highly ordered as confirmed by asymmetric reconstruction, and interacts with conserved regions of the capsid proteins VP1 and VP3. Second, the VP0 N terminus stabilizes the capsid inner surface, in contrast to other picornaviruses where on expulsion as VP4, it forms an RNA translocation channel. Last, VP1's hydrophobic pocket, the binding site for the antipicornaviral drug, pleconaril, is blocked and thus inappropriate for antiviral development. Together, these results suggest a direction for development of neutralizing antibodies, antiviral drugs based on targeting the RNA–protein interactions and dissection of virus assembly on the basis of RNA nucleation. PMID:27435188

  7. Multiple capsid-stabilizing interactions revealed in a high-resolution structure of an emerging picornavirus causing neonatal sepsis

    NASA Astrophysics Data System (ADS)

    Shakeel, Shabih; Westerhuis, Brenda M.; Domanska, Ausra; Koning, Roman I.; Matadeen, Rishi; Koster, Abraham J.; Bakker, Arjen Q.; Beaumont, Tim; Wolthers, Katja C.; Butcher, Sarah J.

    2016-07-01

    The poorly studied picornavirus, human parechovirus 3 (HPeV3) causes neonatal sepsis with no therapies available. Our 4.3-Å resolution structure of HPeV3 on its own and at 15 Å resolution in complex with human monoclonal antibody Fabs demonstrates the expected picornavirus capsid structure with three distinct features. First, 25% of the HPeV3 RNA genome in 60 sites is highly ordered as confirmed by asymmetric reconstruction, and interacts with conserved regions of the capsid proteins VP1 and VP3. Second, the VP0 N terminus stabilizes the capsid inner surface, in contrast to other picornaviruses where on expulsion as VP4, it forms an RNA translocation channel. Last, VP1's hydrophobic pocket, the binding site for the antipicornaviral drug, pleconaril, is blocked and thus inappropriate for antiviral development. Together, these results suggest a direction for development of neutralizing antibodies, antiviral drugs based on targeting the RNA-protein interactions and dissection of virus assembly on the basis of RNA nucleation.

  8. Interaction of a cationic acrylate polymer with caseins: biphasic effect of Eudragit E100 on the stability of casein micelles.

    PubMed

    Ausar, Salvador F; Bianco, Ismael D; Castagna, Leonardo F; Alasino, Roxana V; Beltramo, Dante M

    2003-07-16

    When whole or skim milk was incubated with the cationic acrylate polymer Eudragit E100, a biphasic effect on the stability of casein micelles was observed. A precipitation phase was observed at low polymer/casein ratios. Strikingly, a solubilization phase of the aggregates was observed when the ratios of polymer/casein were increased. Purified alpha(s)-, beta-, and kappa-caseins or dephosphorylated caseins were equally precipitated and resolubilized by the cationic polymer, indicating no special selectivity for a particular protein or phosphate residue for these events. An increase in the size of the aggregates as the optimum precipitating amount of Eudragit E100 was reached suggests a crossbridging of the micelles by the polymer. The inhibition of the precipitation phase by high ionic strength indicates that electrostatic interactions play a critical role in complex formation. Furthermore, a dramatic reduction in size of the protein colloidal particles upon solubilization of the aggregates was observed by dynamic light scattering, indicating a dissociation of the micellar structure. Taken together, the results indicate that at low concentration Eudragit E100 may act as a precipitant of casein micelles, mainly by ionic interaction and at high concentration as an amphipathic agent, solubilizing casein micelles with a disruption of their internal structure.

  9. Child Effortful Control, Teacher-student Relationships, and Achievement in Academically At-risk Children: Additive and Interactive Effects.

    PubMed

    Liew, Jeffrey; Chen, Qi; Hughes, Jan N

    2010-01-01

    The joint contributions of child effortful control (using inhibitory control and task accuracy as behavioral indices) and positive teacher-student relationships at first grade on reading and mathematics achievement at second grade were examined in 761 children who were predominantly from low-income and ethnic minority backgrounds and assessed to be academically at-risk at entry to first grade. Analyses accounted for clustering effects, covariates, baselines of effortful control measures, and prior levels of achievement. Even with such conservative statistical controls, interactive effects were found for task accuracy and positive teacher-student relationships on future achievement. Results suggest that task accuracy served as a protective factor so that children with high task accuracy performed well academically despite not having positive teacher-student relationships. Further, positive teacher-student relationships served as a compensatory factor so that children with low task accuracy performed just as well as those with high task accuracy if they were paired with a positive and supportive teacher. Importantly, results indicate that the influence of positive teacher-student relationships on future achievement was most pronounced for students with low effortful control on tasks that require fine motor skills, accuracy, and attention-related skills. Study results have implications for narrowing achievement disparities for academically at-risk children.

  10. Child Effortful Control, Teacher-student Relationships, and Achievement in Academically At-risk Children: Additive and Interactive Effects

    PubMed Central

    Liew, Jeffrey; Chen, Qi; Hughes, Jan N.

    2009-01-01

    The joint contributions of child effortful control (using inhibitory control and task accuracy as behavioral indices) and positive teacher-student relationships at first grade on reading and mathematics achievement at second grade were examined in 761 children who were predominantly from low-income and ethnic minority backgrounds and assessed to be academically at-risk at entry to first grade. Analyses accounted for clustering effects, covariates, baselines of effortful control measures, and prior levels of achievement. Even with such conservative statistical controls, interactive effects were found for task accuracy and positive teacher-student relationships on future achievement. Results suggest that task accuracy served as a protective factor so that children with high task accuracy performed well academically despite not having positive teacher-student relationships. Further, positive teacher-student relationships served as a compensatory factor so that children with low task accuracy performed just as well as those with high task accuracy if they were paired with a positive and supportive teacher. Importantly, results indicate that the influence of positive teacher-student relationships on future achievement was most pronounced for students with low effortful control on tasks that require fine motor skills, accuracy, and attention-related skills. Study results have implications for narrowing achievement disparities for academically at-risk children. PMID:20161421

  11. Agricultural management and labile carbon additions affect soil microbial community structure and interact with carbon and nitrogen cycling.

    PubMed

    Berthrong, Sean T; Buckley, Daniel H; Drinkwater, Laurie E

    2013-07-01

    We investigated how conversion from conventional agriculture to organic management affected the structure and biogeochemical function of soil microbial communities. We hypothesized the following. (1) Changing agricultural management practices will alter soil microbial community structure driven by increasing microbial diversity in organic management. (2) Organically managed soil microbial communities will mineralize more N and will also mineralize more N in response to substrate addition than conventionally managed soil communities. (3) Microbial communities under organic management will be more efficient and respire less added C. Soils from organically and conventionally managed agroecosystems were incubated with and without glucose ((13)C) additions at constant soil moisture. We extracted soil genomic DNA before and after incubation for TRFLP community fingerprinting of soil bacteria and fungi. We measured soil C and N pools before and after incubation, and we tracked total C respired and N mineralized at several points during the incubation. Twenty years of organic management altered soil bacterial and fungal community structure compared to continuous conventional management with the bacterial differences caused primarily by a large increase in diversity. Organically managed soils mineralized twice as much NO3 (-) as conventionally managed ones (44 vs. 23 μg N/g soil, respectively) and increased mineralization when labile C was added. There was no difference in respiration, but organically managed soils had larger pools of C suggesting greater efficiency in terms of respiration per unit soil C. These results indicate that the organic management induced a change in community composition resulting in a more diverse community with enhanced activity towards labile substrates and greater capacity to mineralize N.

  12. Regulatory Intera